data_6csv_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6csv _Structure_validation_residue.Date_analyzed 2019-03-22 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 ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.405 0.52 . . . . 78.55 112.405 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -44.82 18.86 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 116.262 -0.427 . . . . 77.67 112.046 -170.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' MET . . . . . . . . . . . . . 3.7 tpp -71.32 -20.88 62.13 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 117.202 2.297 . . . . 61.77 117.202 -164.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 70.6 p -69.79 -39.54 76.54 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 120.455 -0.498 . . . . 47.5 110.609 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -63.18 -34.63 78.05 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 120.602 -0.439 . . . . 91.97 111.719 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.2 -50.91 71.89 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.168 -0.678 . . . . 46.45 109.168 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.18 -51.35 69.69 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.017 0.747 . . . . 44.78 113.017 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.95 -56.99 7.23 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.818 -0.808 . . . . 69.93 108.818 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -53.6 -43.67 68.82 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 123.643 0.589 . . . . 63.82 111.399 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.91 -48.18 82.36 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 120.23 -0.588 . . . . 55.61 110.437 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -49.94 -49.8 48.78 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 122.266 1.031 . . . . 45.59 112.792 172.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.99 -57.88 10.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.372 -0.831 . . . . 52.14 112.153 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -48.72 -45.54 39.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.484 0.714 . . . . 59.41 112.461 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' SER . . . . . . . . . . . . . 2.2 p -60.46 -39.57 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.274 0.842 . . . . 65.97 113.274 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.97 -34.77 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.058 -0.401 . . . . 83.34 111.351 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.33 -40.41 85.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 118.695 0.68 . . . . 87.55 112.582 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 8.4 tp -66.87 -38.35 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.763 0.711 . . . . 57.13 111.794 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.22 -28.5 66.41 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.184 0.809 . . . . 66.64 113.184 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.33 -49.83 70.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.722 0.692 . . . . 69.59 110.068 168.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -41.71 62.1 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.305 1.003 . . . . 101.52 113.276 174.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.86 -60.47 2.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.61 -1.256 . . . . 59.16 107.61 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -57.06 -38.81 73.79 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.711 0.632 . . . . 60.04 112.142 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.4 -66.88 0.34 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.936 -0.554 . . . . 76.96 111.681 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . 0.432 0.0 OUTLIER -78.93 -13.56 59.73 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.264 1.949 . . . . 81.17 116.264 -175.966 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.6 mt -56.53 -56.3 14.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 107.143 -1.428 . . . . 76.28 107.143 163.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.78 -42.9 97.69 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.494 -1.23 . . . . 93.76 110.048 -172.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.838 0.455 . . . . 86.0 112.069 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.88 -18.67 63.42 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.373 0.508 . . . . 78.57 112.373 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -71.12 -37.02 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.6 0.963 . . . . 82.33 113.6 166.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -60.21 -49.2 78.55 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.654 0.382 . . . . 91.12 110.553 172.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.01 -35.42 73.22 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.919 0.762 . . . . 84.28 112.398 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 p -76.64 -34.6 58.3 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.55 1.685 . . . . 84.49 115.55 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.05 -39.36 71.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.487 0.315 . . . . 91.9 111.111 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.31 -54.42 47.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.654 0.782 . . . . 101.96 111.501 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.8 p -78.19 -31.76 49.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.012 0.375 . . . . 69.85 112.012 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 t -59.06 -46.96 91.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.225 -1.028 . . . . 64.68 108.225 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 17.1 ttm105 -54.56 -36.18 64.06 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 115.556 1.687 . . . . 94.8 115.556 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.23 -57.78 6.82 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 123.882 0.739 . . . . 76.89 110.55 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -51.5 -36.74 45.9 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.764 1.394 . . . . 92.9 114.764 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 47.3 m -61.09 -39.21 89.07 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 111.825 0.306 . . . . 100.33 111.825 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.96 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.857 0.688 . . . . 99.49 112.857 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 40.3 mt -72.12 2.95 4.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.511 1.3 . . . . 92.97 114.511 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.482 1.136 0 C-N-CA 124.934 1.294 . . . . 85.98 109.351 179.194 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1202 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 114.663 0.625 . . . . 72.8 114.663 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1203 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -31.42 72.52 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.089 0.555 . . . . 70.5 111.635 -168.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1204 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.31 -44.11 14.13 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.801 0.84 . . . . 76.54 111.507 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.06 77.89 Favored Glycine 0 N--CA 1.468 0.808 0 N-CA-C 110.703 -0.959 . . . . 63.54 110.703 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1206 ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.64 67.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.695 1.739 . . . . 57.0 115.695 170.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1207 ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.47 -32.45 68.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.303 -0.873 . . . . 53.4 112.787 169.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1208 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.66 -42.03 87.25 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 122.121 -0.362 . . . . 76.03 111.072 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1209 ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.49 -43.18 93.37 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.051 0.844 . . . . 88.49 112.727 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1210 ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.19 -48.95 79.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.609 0.243 . . . . 69.64 111.586 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1211 ' ' ARG . . . . . 0.514 ' NE ' ' OG ' ' C' ' 530' ' ' SER . 63.2 ttt-85 -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.339 -0.391 . . . . 65.35 110.463 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1212 ' ' GLY . . . . . . . . . . . . . . . -60.31 -28.25 66.75 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.054 0.846 . . . . 58.04 114.785 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1213 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.01 -36.63 64.49 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.086 0.773 . . . . 66.95 113.086 173.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1214 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -68.37 -39.62 81.73 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.188 0.449 . . . . 64.35 111.314 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1215 ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.35 -50.02 43.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 107.557 -1.275 . . . . 53.77 107.557 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1216 ' ' LYS . . . . . . . . . . . . . 16.6 tttp -54.72 -42.36 71.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.109 1.151 . . . . 71.81 114.109 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1217 ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.86 80.03 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.912 0.324 . . . . 49.43 111.333 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1218 ' ' VAL . . . . . . . . . . . . . 24.0 t -68.07 -24.46 30.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.676 0 O-C-N 124.445 1.091 . . . . 50.62 113.165 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1219 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.05 -37.69 78.7 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 120.795 -1.191 . . . . 64.52 112.131 166.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1220 ' ' LYS . . . . . . . . . . . . . 23.0 mttt -67.37 -35.78 80.03 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.987 -0.685 . . . . 84.28 112.623 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1221 ' ' ILE . . . . . . . . . . . . . 8.8 mt -59.43 -53.51 47.28 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 109.269 -0.641 . . . . 53.82 109.269 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1222 ' ' LYS . . . . . . . . . . . . . 17.7 tttt -50.22 -49.18 53.57 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 112.749 0.648 . . . . 59.31 112.749 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1223 ' ' CYS . . . . . . . . . . . . . 60.2 m -56.36 -39.03 72.23 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 114.81 1.411 . . . . 64.87 114.81 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1224 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -69.6 -37.95 77.11 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 111.677 0.251 . . . . 61.64 111.677 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1225 ' ' MET . . . . . . . . . . . . . 27.2 mmt -67.91 -37.3 81.53 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.689 -0.804 . . . . 54.71 112.133 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1226 ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.15 -45.46 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.36 0.874 . . . . 48.16 113.36 171.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1227 ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -58.51 -42.54 87.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 121.14 -0.224 . . . . 85.1 110.714 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1228 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -52.39 65.68 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 121.205 0.526 . . . . 43.59 111.106 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1229 ' ' ILE . . . . . . . . . . . . . 41.1 mm -56.29 -51.17 66.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 115.435 -0.802 . . . . 43.33 110.415 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1230 ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -49.54 -47.16 49.19 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 120.654 -0.418 . . . . 47.99 110.554 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1231 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.4 -44.18 92.84 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.885 1.069 . . . . 74.39 113.885 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1232 ' ' SER . . . . . . . . . . . . . 19.3 m -52.22 -43.88 64.49 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 118.516 0.598 . . . . 48.9 111.99 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1233 ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -64.65 -38.31 90.57 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.309 -0.956 . . . . 43.88 110.94 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1234 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -66.32 -41.77 89.2 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 123.622 0.576 . . . . 44.41 109.891 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1235 ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -58.8 -48.11 82.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.311 0.505 . . . . 57.37 111.522 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1236 ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.965 -0.561 . . . . 34.11 110.307 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1237 ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.49 73.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 39.78 110.309 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1238 ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.62 -32.15 50.1 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.967 0.728 . . . . 60.99 112.967 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1239 ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.55 -33.76 62.8 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 115.272 1.582 . . . . 65.23 115.272 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1240 ' ' VAL . . . . . . . . . . . . . 40.0 t -55.32 -45.42 77.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 O-C-N 121.117 -0.989 . . . . 46.56 110.839 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1241 ' ' LYS . . . . . . . . . . . . . 3.3 tttm -61.06 -56.54 19.79 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.229 -0.441 . . . . 59.67 111.113 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1242 ' ' ALA . . . . . . . . . . . . . . . -64.1 -30.84 71.88 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.343 0.497 . . . . 53.07 112.343 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1243 ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -65.25 -34.42 78.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 118.82 -1.152 . . . . 57.22 109.191 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1244 ' ' VAL . . . . . . . . . . . . . 28.5 t -71.71 -44.17 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 N-CA-C 109.083 -0.71 . . . . 45.02 109.083 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1245 ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.36 -29.86 66.32 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.911 -1.116 . . . . 64.55 113.762 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1246 ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -80.85 -9.58 59.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.028 0.831 . . . . 71.55 112.899 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1247 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -73.04 -16.62 61.49 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 117.922 0.328 . . . . 64.21 110.457 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1248 ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 125.688 1.595 . . . . 68.08 110.939 177.974 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 113.027 0.751 . . . . 87.3 113.027 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' MET . . . . . . . . . . . . . 22.6 mmt -67.3 -22.59 65.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.152 1.168 . . . . 60.37 114.152 -168.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 9.2 p -62.52 -42.45 99.52 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.742 -0.647 . . . . 54.4 109.88 173.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -46.57 88.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 107.018 -1.475 . . . . 105.75 107.018 174.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -53.0 -54.56 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.495 -0.882 . . . . 37.74 110.624 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.1 -44.38 91.93 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 112.796 0.665 . . . . 44.51 112.796 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -58.94 -43.35 91.19 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 109.093 -0.706 . . . . 54.71 109.093 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.98 -46.29 89.9 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 108.69 -0.855 . . . . 61.23 108.69 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.65 -39.72 74.19 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.33 0.514 . . . . 53.01 112.024 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.78 -45.49 78.15 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.578 0.214 . . . . 55.76 111.578 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.82 -48.77 67.89 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 112.008 0.373 . . . . 53.17 112.008 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' ARG . . . . . . . . . . . . . 39.2 mtp-105 -55.73 -40.25 72.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 120.869 -0.332 . . . . 47.77 110.749 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' SER . . . . . . . . . . . . . 23.6 m -57.27 -46.26 83.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.177 1.177 . . . . 50.27 114.177 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -62.28 -44.99 95.25 Favored 'General case' 0 C--O 1.204 -1.326 0 O-C-N 123.354 0.409 . . . . 72.23 110.637 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -63.38 -53.16 56.84 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 121.556 -0.715 . . . . 73.01 109.947 -174.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -42.79 93.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.48 -0.933 . . . . 58.78 108.48 -173.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.4 -39.36 88.97 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 115.716 1.747 . . . . 63.18 115.716 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 517' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.27 -44.47 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.3 -0.63 . . . . 63.32 109.3 167.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -61.15 -40.87 95.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 119.717 -0.793 . . . . 86.29 110.231 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 519' ' ' LEU . . . . . . . . . . . . . 42.9 mt -65.82 -35.79 81.67 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 118.724 -1.19 . . . . 54.13 112.239 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.63 -37.76 88.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.692 0.223 . . . . 59.36 111.334 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 112.475 0.546 . . . . 55.14 112.475 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 522' ' ' HIS . . . . . 0.436 ' NE2' ' OD2' ' B' 1224 ' ' ASP . 36.1 m-70 -71.06 -37.94 72.5 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.986 0.365 . . . . 53.15 111.986 -173.32 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 523' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.1 -45.66 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 106.881 -1.525 . . . . 52.39 106.881 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 524' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.84 -49.57 68.15 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.891 0.744 . . . . 69.52 112.335 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 525' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.25 -39.66 83.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.374 -0.83 . . . . 81.99 110.987 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 526' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -51.67 66.69 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.847 -0.427 . . . . 53.58 109.847 177.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 527' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -50.5 -46.36 57.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.452 0.47 . . . . 87.46 111.991 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 528' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -69.79 -55.81 8.83 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.08 0.771 . . . . 96.71 113.08 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 529' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.42 -30.49 71.61 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.996 1.11 . . . . 94.12 113.996 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 530' ' ' SER . . . . . 0.472 ' OG ' ' NE ' ' D' 1211 ' ' ARG . 85.2 p -83.26 -27.31 29.97 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.746 0.703 . . . . 60.08 112.791 -177.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.42 -39.48 85.48 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.904 0.32 . . . . 86.17 110.495 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 532' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -39.87 81.24 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.994 -1.113 . . . . 89.2 107.994 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 533' ' ' THR . . . . . 0.473 ' OG1' ' OE1' ' B' 1209 ' ' GLU . 1.2 m -66.09 -40.17 90.58 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.163 0.585 . . . . 75.86 110.163 178.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 534' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.88 -37.92 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 119.589 -0.845 . . . . 66.12 111.103 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 535' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' B' 1302 ' ' HOH . 13.8 ttp-105 -64.58 -46.27 83.44 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.965 -0.562 . . . . 75.99 110.228 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -56.0 -44.18 78.39 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.728 0.811 . . . . 81.12 112.801 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 537' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.51 -49.26 77.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.417 0.525 . . . . 66.74 112.417 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 538' ' ' THR . . . . . . . . . . . . . 41.6 m -59.76 -29.59 68.28 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 114.937 1.458 . . . . 76.4 114.937 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -73.26 -54.99 7.05 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 76.06 109.555 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 540' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.98 -29.13 70.58 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.896 1.813 . . . . 89.67 115.896 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 541' ' ' LYS . . . . . . . . . . . . . 38.8 tttt . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 118.432 0.56 . . . . 115.13 110.095 -177.32 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 N-CA-C 112.074 -0.411 . . . . 89.41 112.074 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.8 74.18 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.541 0.571 . . . . 76.86 112.541 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1207 ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.51 -21.46 64.58 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.945 1.091 . . . . 101.02 113.945 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -78.83 -39.75 34.67 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.049 -0.66 . . . . 73.46 110.666 172.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1209 ' ' GLU . . . . . 0.473 ' OE1' ' OG1' ' B' ' 533' ' ' THR . 7.1 tt0 -63.45 -45.63 89.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 88.42 108.9 -176.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1210 ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.14 -57.97 9.59 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 115.385 -0.825 . . . . 58.9 109.963 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.37 -46.17 72.98 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 115.612 -0.722 . . . . 92.73 110.687 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -45.56 -50.59 10.62 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.234 -1.147 . . . . 57.05 110.234 172.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1213 ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -63.47 -46.19 87.3 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.985 0.735 . . . . 54.04 112.985 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 56.7 t80 -57.55 -47.14 82.86 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.003 0.371 . . . . 65.96 112.003 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.99 -38.83 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.458 0.54 . . . . 65.62 112.458 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1216 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.291 0.496 . . . . 66.35 111.878 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -65.38 -47.71 75.42 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 121.918 0.866 . . . . 45.48 108.967 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1218 ' ' VAL . . . . . . . . . . . . . 22.2 t -57.11 -49.14 80.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 114.532 -1.213 . . . . 50.15 110.928 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -46.61 -54.69 8.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.468 0.48 . . . . 69.76 111.138 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 24.6 mttt -68.03 -30.61 69.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.399 0.518 . . . . 66.03 112.399 -172.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1221 ' ' ILE . . . . . . . . . . . . . 12.5 mt -67.78 -52.11 43.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 119.899 -0.72 . . . . 49.9 110.9 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -47.06 69.89 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 119.002 -0.523 . . . . 69.5 112.029 174.105 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 9.2 m -58.63 -45.75 88.56 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.389 0.995 . . . . 69.32 111.814 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1224 ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' B' ' 522' ' ' HIS . 85.0 m-20 -63.9 -39.78 94.98 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.17 1.544 . . . . 58.47 115.17 175.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1225 ' ' MET . . . . . . . . . . . . . 85.1 mmm -71.03 -35.69 72.08 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 112.503 0.557 . . . . 58.5 112.503 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.52 -44.39 96.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.174 0.805 . . . . 52.56 113.174 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -58.45 -48.35 81.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.276 -0.639 . . . . 88.79 109.276 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1228 ' ' TYR . . . . . . . . . . . . . 50.8 t80 -59.26 -47.97 83.35 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.3 1.222 . . . . 62.56 114.3 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1229 ' ' ILE . . . . . . . . . . . . . 2.5 mt -53.53 -47.41 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 114.133 1.16 . . . . 52.84 114.133 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.06 -37.87 89.02 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 113.06 0.763 . . . . 47.21 113.06 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -61.17 -46.01 92.25 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.643 -0.873 . . . . 74.45 108.643 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1232 ' ' SER . . . . . . . . . . . . . 60.3 m -55.21 -49.62 71.47 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 123.706 0.629 . . . . 49.97 109.455 -175.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -64.27 -38.96 92.91 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.728 -0.669 . . . . 52.03 112.615 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -65.63 -35.24 80.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.511 0.93 . . . . 50.58 113.511 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -66.32 -49.23 67.73 Favored 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 119.07 -1.052 . . . . 55.25 109.241 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.99 66.59 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.574 0.702 . . . . 35.96 109.871 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.26 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.6 -0.727 . . . . 45.31 111.561 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.3 -38.4 73.94 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.248 -0.581 . . . . 52.26 111.732 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -47.48 81.2 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.436 0.902 . . . . 77.02 113.436 175.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 2.5 t -44.31 -53.23 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 123.817 0.698 . . . . 51.63 111.511 170.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 65.9 tttt -58.58 -47.67 83.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.858 0.688 . . . . 63.67 112.858 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.28 83.96 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.308 1.225 . . . . 41.38 114.308 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1243 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.6 -47.97 80.67 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.797 0.332 . . . . 54.78 111.614 168.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 42.8 t -62.51 -49.32 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 O-C-N 121.558 -0.714 . . . . 46.27 110.357 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1245 ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.44 -30.46 40.63 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.97 1.1 . . . . 57.07 113.97 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1246 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.77 -9.24 58.42 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.295 1.22 . . . . 58.46 114.295 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1247 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.59 -21.9 38.07 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 114.616 1.339 . . . . 54.89 114.616 172.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1248 ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -68.98 -54.43 15.32 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 122.01 0.91 . . . . 71.9 111.519 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 114.307 -1.315 . . . . 76.81 110.779 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 114.893 1.442 . . . . 85.73 114.893 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 500' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -41.35 95.81 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.54 0.686 . . . . 91.59 112.044 176.205 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 501' ' ' MET . . . . . 0.869 ' SD ' ' O ' ' A' 1308 ' ' HOH . 89.2 mmm -77.27 -21.87 52.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.478 1.288 . . . . 63.72 114.478 -168.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 27.4 p -70.08 -41.39 74.14 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.619 -0.882 . . . . 54.14 108.619 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.24 0.459 . . . . 91.99 112.24 170.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.73 -43.79 90.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.422 -0.511 . . . . 39.83 110.531 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 51.1 tp -71.59 -36.38 70.82 Favored 'General case' 0 C--O 1.207 -1.164 0 C-N-CA 119.579 -0.848 . . . . 45.32 110.037 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -61.19 -38.47 86.66 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.155 -0.966 . . . . 59.23 110.588 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 507' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -67.81 -47.79 68.09 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.302 -1.317 . . . . 59.43 109.938 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 508' ' ' GLU . . . . . 0.719 ' OE2' ' NH1' ' C' 1235 ' ' ARG . 22.5 mm-40 -51.9 -47.34 64.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 118.627 0.649 . . . . 50.39 111.051 172.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.64 -42.7 79.36 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 118.756 -1.178 . . . . 45.82 110.196 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.18 -53.37 38.28 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 119.638 -0.825 . . . . 56.34 111.365 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 511' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -49.48 -41.69 41.25 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.344 -0.844 . . . . 47.98 112.09 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 50.8 m -63.09 -45.07 93.82 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 114.635 1.346 . . . . 46.91 114.635 172.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -59.33 -43.96 92.66 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 119.147 -0.454 . . . . 67.21 109.812 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 514' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -66.32 -48.61 69.73 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.348 0.976 . . . . 65.23 112.635 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 515' ' ' ILE . . . . . . . . . . . . . 7.6 tp -61.09 -38.95 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.792 0.33 . . . . 55.95 111.003 -174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.33 -34.98 78.47 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 113.686 0.995 . . . . 73.08 113.686 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -59.55 -48.38 81.89 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.078 -0.712 . . . . 58.87 109.078 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -75.89 -15.19 60.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 118.571 -1.251 . . . . 81.29 112.441 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.62 -34.94 58.34 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.468 0.914 . . . . 62.52 113.468 166.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.22 -38.06 89.23 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-O 121.357 0.598 . . . . 64.28 111.579 175.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.69 81.02 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.513 -1.221 . . . . 54.47 110.125 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 522' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -71.25 -48.31 51.83 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.652 0.595 . . . . 46.13 110.135 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 1.3 mt -52.47 -49.25 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.319 0.489 . . . . 48.22 112.319 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.86 -43.33 93.34 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 66.95 113.21 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.59 -42.37 71.02 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.727 0.411 . . . . 79.22 112.055 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.25 -49.12 78.38 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.302 0.482 . . . . 56.95 112.302 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -58.22 -34.63 70.61 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.538 0.94 . . . . 78.65 113.538 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -78.89 -52.43 8.3 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.774 0.657 . . . . 92.37 112.774 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -56.9 -36.06 69.71 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.677 -0.692 . . . . 97.71 112.764 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 530' ' ' SER . . . . . 0.514 ' OG ' ' NE ' ' A' 1211 ' ' ARG . 92.5 p -77.65 -34.84 53.02 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.748 1.018 . . . . 53.7 113.748 -175.319 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -61.16 -44.31 97.51 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.304 0.502 . . . . 74.23 110.459 169.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -54.18 -53.69 49.95 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.56 -0.712 . . . . 84.16 110.613 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 20.6 m -63.42 -37.22 86.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.926 0.713 . . . . 64.68 112.926 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.77 -31.27 50.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 C-N-CA 119.317 -0.953 . . . . 62.52 109.879 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 16.8 mtm105 -68.0 -43.29 79.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.35 0.87 . . . . 60.58 113.35 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 536' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -49.69 -58.03 6.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.942 0.497 . . . . 70.2 110.632 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 537' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.23 -37.44 77.52 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.602 1.334 . . . . 69.04 114.602 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 44.2 m -73.48 -33.42 64.83 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.332 0.514 . . . . 72.93 111.744 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -75.19 -10.96 59.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.352 0.501 . . . . 84.08 112.352 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.49 -167.34 1.31 Allowed 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.638 0.775 . . . . 82.1 111.714 169.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 541' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 123.135 0.574 . . . . 99.48 111.048 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 111.488 -0.645 . . . . 76.59 111.488 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1206 ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.53 70.24 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.51 -0.757 . . . . 71.36 112.073 171.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1207 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -31.0 71.95 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.048 0.759 . . . . 83.07 113.048 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C 1208 ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' C' 1211 ' ' ARG . 31.1 mm-40 -81.09 -35.06 32.16 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 123.694 0.621 . . . . 73.83 112.048 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C 1209 ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.67 -49.93 69.01 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.04 -0.664 . . . . 80.83 109.432 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1210 ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.8 -51.95 67.56 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 125.072 1.349 . . . . 63.22 112.76 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1211 ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' C' 1208 ' ' GLU . 0.8 OUTLIER -64.28 -47.22 80.36 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.911 -1.144 . . . . 78.02 107.911 176.871 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C 1212 ' ' GLY . . . . . . . . . . . . . . . -45.24 -41.88 8.57 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.865 -0.408 . . . . 48.03 112.838 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1213 ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -70.2 -50.32 41.29 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.977 0.732 . . . . 51.64 112.977 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1214 ' ' TYR . . . . . . . . . . . . . 28.8 t80 -56.39 -44.23 80.03 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 113.845 1.054 . . . . 66.22 113.845 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1215 ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.13 -43.67 81.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.924 -0.769 . . . . 64.77 108.924 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1216 ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -57.44 -49.91 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.106 0.78 . . . . 60.92 113.106 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1217 ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.97 86.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.11 -0.636 . . . . 48.1 109.678 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1218 ' ' VAL . . . . . . . . . . . . . 42.4 t -74.05 -43.52 51.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.282 -0.636 . . . . 54.52 109.282 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1219 ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -53.67 -44.77 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.477 -0.889 . . . . 73.2 111.288 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1220 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -68.97 -33.41 73.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.811 -0.44 . . . . 78.5 109.811 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1221 ' ' ILE . . . . . . . . . . . . . 35.1 mt -66.63 -38.74 82.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.066 -0.516 . . . . 46.38 111.042 174.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1222 ' ' LYS . . . . . . . . . . . . . 6.1 tttp -66.91 -42.71 84.99 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 122.447 0.299 . . . . 65.57 110.868 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1223 ' ' CYS . . . . . . . . . . . . . 24.9 m -59.08 -55.53 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.768 0.713 . . . . 78.78 111.231 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1224 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.43 -37.1 79.85 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 112.699 0.629 . . . . 52.18 112.699 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1225 ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.58 -33.8 74.7 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 112.409 0.522 . . . . 57.7 112.409 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1226 ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.87 -39.15 79.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.363 0.505 . . . . 45.56 112.363 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1227 ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.37 -43.2 86.6 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.684 -0.635 . . . . 87.3 111.244 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1228 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -54.5 -56.2 21.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.637 0.375 . . . . 55.93 111.577 173.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1229 ' ' ILE . . . . . . . . . . . . . 13.2 mt -52.56 -57.2 4.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 O-C-N 124.088 0.868 . . . . 47.35 112.131 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1230 ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -52.2 -40.97 62.28 Favored 'General case' 0 C--O 1.252 1.218 0 N-CA-C 115.024 1.49 . . . . 42.5 115.024 172.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1231 ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.52 -42.97 98.42 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.567 -1.272 . . . . 69.66 107.567 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1232 ' ' SER . . . . . . . . . . . . . 58.8 m -59.8 -42.5 93.57 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 124.004 0.815 . . . . 46.01 109.489 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1233 ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.4 -40.65 85.63 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 120.327 -0.549 . . . . 45.52 109.956 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1234 ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -63.26 -41.65 99.08 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.465 -1.294 . . . . 42.02 112.761 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1235 ' ' ARG . . . . . 0.719 ' NH1' ' OE2' ' C' ' 508' ' ' GLU . 28.3 mtp-105 -57.97 -39.39 78.06 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.072 0.767 . . . . 56.33 113.072 176.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C 1236 ' ' ALA . . . . . . . . . . . . . . . -67.48 -42.35 83.1 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 107.852 -1.166 . . . . 38.74 107.852 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1237 ' ' ALA . . . . . . . . . . . . . . . -67.68 -36.03 79.95 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 109.695 -0.483 . . . . 50.79 109.695 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1238 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.58 -38.39 84.44 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.002 -1.079 . . . . 57.39 112.668 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1239 ' ' MET . . . . . . . . . . . . . 68.4 mtm -70.75 -41.9 71.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.591 0.756 . . . . 71.03 112.891 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1240 ' ' VAL . . . . . . . . . . . . . 2.3 t -46.79 -47.99 7.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 116.316 -0.402 . . . . 45.96 111.036 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1241 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -53.04 61.04 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.07 -0.514 . . . . 61.33 111.655 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C 1242 ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.37 73.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.382 0.512 . . . . 45.02 112.382 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1243 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.41 -44.21 88.94 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.611 0.597 . . . . 55.84 112.611 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1244 ' ' VAL . . . . . . . . . . . . . 53.1 t -69.74 -44.1 79.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 107.688 -1.227 . . . . 40.91 107.688 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1245 ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.19 -39.19 66.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 118.955 -1.098 . . . . 67.58 113.566 172.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1246 ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -62.49 -18.02 60.96 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.083 1.142 . . . . 53.55 114.083 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1247 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -73.94 -10.28 59.49 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 115.969 1.84 . . . . 56.89 115.969 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1248 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -53.04 132.31 37.67 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 119.342 0.974 . . . . 66.12 113.464 173.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.528 -0.545 . . . . 70.18 109.528 178.288 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 500' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.576 1.944 0 CA-C-O 117.894 -1.05 . . . . 75.6 112.216 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 501' ' ' MET . . . . . . . . . . . . . 29.1 mmt -82.59 -30.16 29.73 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 116.071 1.878 . . . . 72.48 116.071 -171.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 502' ' ' THR . . . . . . . . . . . . . 72.2 p -66.39 -38.71 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.657 -0.417 . . . . 53.04 110.504 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 503' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.03 -43.06 86.55 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.524 -0.471 . . . . 79.16 110.919 167.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 504' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.29 -47.66 85.07 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.251 0.344 . . . . 45.29 110.221 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 505' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.39 -43.2 96.85 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 119.829 -0.748 . . . . 44.94 112.018 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 506' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.45 -46.22 89.37 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 123.402 0.439 . . . . 78.43 110.116 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.23 -45.48 79.94 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.207 0.317 . . . . 62.51 110.576 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 508' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -56.25 -45.59 79.96 Favored 'General case' 0 C--O 1.256 1.409 0 C-N-CA 120.085 -0.646 . . . . 51.13 112.506 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 509' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.04 -48.41 76.05 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.145 0.903 . . . . 45.45 111.889 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.63 -61.74 2.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 119.269 -0.973 . . . . 54.68 109.539 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 511' ' ' ARG . . . . . 0.517 ' NH1' ' O ' ' D' 1301 ' ' HOH . 20.8 mtp85 -41.42 -49.84 3.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.758 1.223 . . . . 50.09 113.072 176.666 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 512' ' ' SER . . . . . . . . . . . . . 5.5 p -61.8 -46.26 90.3 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.316 1.228 . . . . 59.93 114.316 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 513' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.29 -37.62 86.21 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.948 -0.47 . . . . 84.35 111.067 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 514' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.9 -46.91 85.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.344 -0.542 . . . . 98.12 112.26 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 515' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.61 -46.43 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 118.936 -1.105 . . . . 62.66 110.268 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 516' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 -40.35 95.1 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.555 -0.716 . . . . 64.24 112.739 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 517' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.15 -28.99 67.77 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 119.562 -0.256 . . . . 72.26 111.454 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 518' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -70.63 -40.46 73.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.499 0.72 . . . . 106.56 111.583 171.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 519' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.63 -56.24 24.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.34 -0.544 . . . . 59.47 109.655 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 520' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -53.79 -47.66 70.59 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.866 1.432 . . . . 58.54 114.866 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.42 -49.27 55.21 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.851 -0.531 . . . . 74.62 111.645 169.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 522' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -70.7 -53.49 15.47 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.452 0.47 . . . . 88.94 109.747 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 523' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -39.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.734 -0.786 . . . . 85.05 112.261 176.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -42.62 79.22 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 119.312 -0.375 . . . . 86.01 111.628 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 525' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.48 -48.58 76.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.527 0.603 . . . . 105.99 109.98 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.86 -16.49 60.68 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 113.273 0.842 . . . . 89.91 113.273 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 527' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -73.52 -21.98 60.24 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.693 0.627 . . . . 99.61 112.693 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -88.88 -44.79 10.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.986 0.914 . . . . 104.13 112.527 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 529' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -55.99 -26.4 48.28 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 120.972 -0.291 . . . . 90.15 111.579 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 530' ' ' SER . . . . . . . . . . . . . 5.5 p -79.36 -39.28 33.02 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.375 1.25 . . . . 83.45 114.375 173.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 531' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.13 -37.47 46.29 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.89 -0.506 . . . . 90.46 112.07 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 532' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -52.45 25.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.296 0.638 . . . . 91.16 112.126 -178.245 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 533' ' ' THR . . . . . . . . . . . . . 23.3 m -63.59 -35.15 79.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.761 0.652 . . . . 81.32 112.761 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 534' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.57 -44.11 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 108.311 -0.996 . . . . 76.54 108.311 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 535' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -68.83 -23.86 64.31 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 123.944 0.777 . . . . 112.75 113.086 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 536' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -67.36 -48.92 66.05 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.18 -0.674 . . . . 78.27 109.18 167.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 537' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.33 -26.56 66.66 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.116 1.895 . . . . 92.67 116.116 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 538' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-N 119.63 1.105 . . . . 93.43 110.469 172.224 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1203 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.206 -0.665 . . . . 82.56 109.206 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1204 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.8 -37.85 85.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.322 -0.399 . . . . 96.49 110.222 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.04 95.64 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.937 -1.265 . . . . 87.79 109.937 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1206 ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.57 82.59 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 114.084 1.142 . . . . 67.69 114.084 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 17.1 tp -71.04 -39.45 72.29 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 112.488 0.551 . . . . 60.92 112.488 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.31 -42.37 96.38 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.891 -0.506 . . . . 76.92 111.634 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.08 -42.37 90.24 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.716 0.635 . . . . 84.5 111.598 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1210 ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.27 -53.0 62.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.493 0.496 . . . . 68.52 110.512 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1211 ' ' ARG . . . . . 0.472 ' NE ' ' OG ' ' B' ' 530' ' ' SER . 54.3 ttt-85 -56.11 -41.65 75.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.273 0.358 . . . . 67.62 111.016 179.413 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.43 76.32 Favored Glycine 0 C--O 1.22 -0.765 0 O-C-N 124.348 1.03 . . . . 62.6 114.363 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -76.6 -36.41 57.53 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.101 0.95 . . . . 72.65 112.02 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1214 ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -63.84 -32.61 74.18 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.848 0.684 . . . . 76.02 112.848 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.66 -58.47 4.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.458 -2.423 . . . . 52.6 104.458 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -50.18 -33.67 19.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.018 1.488 . . . . 82.74 115.018 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1217 ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.7 73.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 120.894 0.378 . . . . 59.78 110.021 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1218 ' ' VAL . . . . . . . . . . . . . 42.3 t -72.11 -22.35 21.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.251 0 CA-C-N 114.823 -1.08 . . . . 50.11 111.609 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.99 -33.48 59.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.383 0.538 . . . . 58.94 111.03 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -69.57 -39.86 77.12 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.258 0.466 . . . . 85.06 112.258 170.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 29.4 mm -54.44 -61.06 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 108.556 -0.905 . . . . 55.98 108.556 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 28.5 tttt -49.64 -49.7 46.08 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.423 0.556 . . . . 56.62 111.216 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -39.75 67.36 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 114.647 1.351 . . . . 75.22 114.647 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D 1224 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.57 -42.81 91.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 123.275 0.36 . . . . 64.38 111.635 173.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1225 ' ' MET . . . . . . . . . . . . . 25.5 mmt -69.41 -31.6 70.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.421 0.897 . . . . 63.04 113.421 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1226 ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.34 -43.66 96.24 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.333 0.864 . . . . 46.86 113.333 172.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -62.53 -40.76 97.81 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.947 -0.57 . . . . 71.02 111.836 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.21 -50.66 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.674 0.62 . . . . 50.58 112.674 173.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1229 ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.14 -45.12 96.28 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 N-CA-C 113.671 0.989 . . . . 47.08 113.671 173.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -54.89 -50.14 69.47 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.108 -0.637 . . . . 41.68 112.247 173.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -59.79 -35.36 74.51 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 115.635 1.717 . . . . 66.61 115.635 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 3.5 m -52.13 -46.62 65.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.342 1.428 . . . . 51.58 112.024 164.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.41 -43.28 91.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.104 -1.039 . . . . 38.21 110.658 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.43 -47.44 85.48 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.802 -0.814 . . . . 53.37 108.802 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1235 ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -55.91 -40.56 73.23 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 112.726 0.639 . . . . 60.84 112.726 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.32 74.3 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 124.062 0.851 . . . . 44.29 110.245 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.8 92.95 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.636 -1.165 . . . . 42.72 110.05 176.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.79 -33.66 66.89 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.453 0.908 . . . . 60.76 113.453 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 66.1 mtm -77.67 -24.19 49.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 115.032 1.493 . . . . 70.42 115.032 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 41.7 t -62.21 -42.77 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 119.551 -0.86 . . . . 50.08 109.971 162.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 42.5 tttm -61.2 -45.64 93.77 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.821 -0.751 . . . . 59.39 112.302 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.81 74.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.828 0.677 . . . . 49.02 112.828 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.5 -32.4 73.85 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.363 -0.606 . . . . 56.43 109.363 172.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 48.8 t -74.58 -50.3 27.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 109.309 -0.626 . . . . 51.18 109.309 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.56 -24.39 46.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.543 0.942 . . . . 70.75 113.543 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 -80.1 -8.25 59.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.395 0.998 . . . . 69.57 112.472 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -78.58 -14.71 59.2 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.613 -0.708 . . . . 66.69 112.639 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -57.2 -71.96 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.419 0.526 . . . . 85.18 112.419 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.369 -0.604 . . . . 116.49 109.369 -178.576 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1308 ' ' HOH . . . . . 0.869 ' O ' ' SD ' ' C' ' 501' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1302 ' ' HOH . . . . . 0.539 ' O ' ' NH2' ' B' ' 535' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1308 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1308 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1301 ' ' HOH . . . . . 0.517 ' O ' ' NH1' ' D' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.405 0.52 . . . . 78.55 112.405 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -44.82 18.86 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 116.262 -0.427 . . . . 77.67 112.046 -170.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 501' ' ' MET . . . . . 0.483 ' HE1' ' O ' ' A' 1308 ' ' HOH . 3.7 tpp -71.32 -20.88 62.13 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 117.202 2.297 . . . . 61.77 117.202 -164.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 70.6 p -69.79 -39.54 76.54 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 120.455 -0.498 . . . . 47.5 110.609 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -63.18 -34.63 78.05 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 120.602 -0.439 . . . . 91.97 111.719 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 504' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.2 -50.91 71.89 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.168 -0.678 . . . . 46.45 109.168 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.18 -51.35 69.69 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.017 0.747 . . . . 44.78 113.017 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.95 -56.99 7.23 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.818 -0.808 . . . . 69.93 108.818 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -53.6 -43.67 68.82 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 123.643 0.589 . . . . 63.82 111.399 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 508' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.91 -48.18 82.36 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 120.23 -0.588 . . . . 55.61 110.437 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -49.94 -49.8 48.78 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 122.266 1.031 . . . . 45.59 112.792 172.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.99 -57.88 10.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.372 -0.831 . . . . 52.14 112.153 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -48.72 -45.54 39.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.484 0.714 . . . . 59.41 112.461 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 512' ' ' SER . . . . . 0.51 ' HB2' HG23 ' C' 1229 ' ' ILE . 2.2 p -60.46 -39.57 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.274 0.842 . . . . 65.97 113.274 -178.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.97 -34.77 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.058 -0.401 . . . . 83.34 111.351 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.33 -40.41 85.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 118.695 0.68 . . . . 87.55 112.582 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 8.4 tp -66.87 -38.35 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.763 0.711 . . . . 57.13 111.794 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.22 -28.5 66.41 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.184 0.809 . . . . 66.64 113.184 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.33 -49.83 70.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.722 0.692 . . . . 69.59 110.068 168.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -41.71 62.1 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.305 1.003 . . . . 101.52 113.276 174.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.86 -60.47 2.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.61 -1.256 . . . . 59.16 107.61 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -57.06 -38.81 73.79 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.711 0.632 . . . . 60.04 112.142 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.4 -66.88 0.34 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.936 -0.554 . . . . 76.96 111.681 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HIS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 525' ' ' GLU 0.432 0.0 OUTLIER -78.93 -13.56 59.73 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.264 1.949 . . . . 81.17 116.264 -175.966 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.6 mt -56.53 -56.3 14.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 107.143 -1.428 . . . . 76.28 107.143 163.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.78 -42.9 97.69 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.494 -1.23 . . . . 93.76 110.048 -172.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 525' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 522' ' ' HIS . 2.2 tt0 -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.838 0.455 . . . . 86.0 112.069 173.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 526' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' 1217 ' ' ALA . 12.9 mt -69.88 -18.67 63.42 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.373 0.508 . . . . 78.57 112.373 -178.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -71.12 -37.02 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.6 0.963 . . . . 82.33 113.6 166.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -60.21 -49.2 78.55 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.654 0.382 . . . . 91.12 110.553 172.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.01 -35.42 73.22 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.919 0.762 . . . . 84.28 112.398 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 p -76.64 -34.6 58.3 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.55 1.685 . . . . 84.49 115.55 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.05 -39.36 71.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.487 0.315 . . . . 91.9 111.111 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 532' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.31 -54.42 47.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.654 0.782 . . . . 101.96 111.501 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.8 p -78.19 -31.76 49.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.012 0.375 . . . . 69.85 112.012 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 t -59.06 -46.96 91.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.225 -1.028 . . . . 64.68 108.225 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 17.1 ttm105 -54.56 -36.18 64.06 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 115.556 1.687 . . . . 94.8 115.556 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.23 -57.78 6.82 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 123.882 0.739 . . . . 76.89 110.55 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -51.5 -36.74 45.9 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.764 1.394 . . . . 92.9 114.764 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 47.3 m -61.09 -39.21 89.07 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 111.825 0.306 . . . . 100.33 111.825 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.96 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.857 0.688 . . . . 99.49 112.857 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 40.3 mt -72.12 2.95 4.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.511 1.3 . . . . 92.97 114.511 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.482 1.136 0 C-N-CA 124.934 1.294 . . . . 85.98 109.351 179.194 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1202 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 114.663 0.625 . . . . 72.8 114.663 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1203 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -31.42 72.52 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.089 0.555 . . . . 70.5 111.635 -168.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1204 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.31 -44.11 14.13 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.801 0.84 . . . . 76.54 111.507 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.06 77.89 Favored Glycine 0 N--CA 1.468 0.808 0 N-CA-C 110.703 -0.959 . . . . 63.54 110.703 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1206 ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.64 67.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.695 1.739 . . . . 57.0 115.695 170.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1207 ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.47 -32.45 68.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.303 -0.873 . . . . 53.4 112.787 169.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1208 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.66 -42.03 87.25 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 122.121 -0.362 . . . . 76.03 111.072 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1209 ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.49 -43.18 93.37 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.051 0.844 . . . . 88.49 112.727 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1210 ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.19 -48.95 79.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.609 0.243 . . . . 69.64 111.586 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1211 ' ' ARG . . . . . 0.514 ' NE ' ' OG ' ' C' ' 530' ' ' SER . 63.2 ttt-85 -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.339 -0.391 . . . . 65.35 110.463 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1212 ' ' GLY . . . . . . . . . . . . . . . -60.31 -28.25 66.75 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.054 0.846 . . . . 58.04 114.785 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1213 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.01 -36.63 64.49 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.086 0.773 . . . . 66.95 113.086 173.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1214 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -68.37 -39.62 81.73 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.188 0.449 . . . . 64.35 111.314 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1215 ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.35 -50.02 43.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 107.557 -1.275 . . . . 53.77 107.557 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1216 ' ' LYS . . . . . . . . . . . . . 16.6 tttp -54.72 -42.36 71.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.109 1.151 . . . . 71.81 114.109 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1217 ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 526' ' ' LEU . . . -59.23 -48.86 80.03 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.912 0.324 . . . . 49.43 111.333 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1218 ' ' VAL . . . . . . . . . . . . . 24.0 t -68.07 -24.46 30.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.676 0 O-C-N 124.445 1.091 . . . . 50.62 113.165 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1219 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.05 -37.69 78.7 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 120.795 -1.191 . . . . 64.52 112.131 166.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1220 ' ' LYS . . . . . . . . . . . . . 23.0 mttt -67.37 -35.78 80.03 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.987 -0.685 . . . . 84.28 112.623 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1221 ' ' ILE . . . . . . . . . . . . . 8.8 mt -59.43 -53.51 47.28 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 109.269 -0.641 . . . . 53.82 109.269 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1222 ' ' LYS . . . . . . . . . . . . . 17.7 tttt -50.22 -49.18 53.57 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 112.749 0.648 . . . . 59.31 112.749 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1223 ' ' CYS . . . . . . . . . . . . . 60.2 m -56.36 -39.03 72.23 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 114.81 1.411 . . . . 64.87 114.81 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1224 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -69.6 -37.95 77.11 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 111.677 0.251 . . . . 61.64 111.677 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1225 ' ' MET . . . . . . . . . . . . . 27.2 mmt -67.91 -37.3 81.53 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.689 -0.804 . . . . 54.71 112.133 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1226 ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.15 -45.46 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.36 0.874 . . . . 48.16 113.36 171.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1227 ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -58.51 -42.54 87.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 121.14 -0.224 . . . . 85.1 110.714 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1228 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -52.39 65.68 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 121.205 0.526 . . . . 43.59 111.106 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1229 ' ' ILE . . . . . . . . . . . . . 41.1 mm -56.29 -51.17 66.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 115.435 -0.802 . . . . 43.33 110.415 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1230 ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -49.54 -47.16 49.19 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 120.654 -0.418 . . . . 47.99 110.554 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1231 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.4 -44.18 92.84 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.885 1.069 . . . . 74.39 113.885 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1232 ' ' SER . . . . . . . . . . . . . 19.3 m -52.22 -43.88 64.49 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 118.516 0.598 . . . . 48.9 111.99 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1233 ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -64.65 -38.31 90.57 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.309 -0.956 . . . . 43.88 110.94 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1234 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -66.32 -41.77 89.2 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 123.622 0.576 . . . . 44.41 109.891 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1235 ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -58.8 -48.11 82.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.311 0.505 . . . . 57.37 111.522 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1236 ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.965 -0.561 . . . . 34.11 110.307 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1237 ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.49 73.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 39.78 110.309 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1238 ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.62 -32.15 50.1 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.967 0.728 . . . . 60.99 112.967 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1239 ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.55 -33.76 62.8 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 115.272 1.582 . . . . 65.23 115.272 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1240 ' ' VAL . . . . . . . . . . . . . 40.0 t -55.32 -45.42 77.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 O-C-N 121.117 -0.989 . . . . 46.56 110.839 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1241 ' ' LYS . . . . . . . . . . . . . 3.3 tttm -61.06 -56.54 19.79 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.229 -0.441 . . . . 59.67 111.113 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1242 ' ' ALA . . . . . . . . . . . . . . . -64.1 -30.84 71.88 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.343 0.497 . . . . 53.07 112.343 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1243 ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -65.25 -34.42 78.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 118.82 -1.152 . . . . 57.22 109.191 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1244 ' ' VAL . . . . . . . . . . . . . 28.5 t -71.71 -44.17 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 N-CA-C 109.083 -0.71 . . . . 45.02 109.083 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1245 ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.36 -29.86 66.32 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.911 -1.116 . . . . 64.55 113.762 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1246 ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -80.85 -9.58 59.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.028 0.831 . . . . 71.55 112.899 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1247 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -73.04 -16.62 61.49 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 117.922 0.328 . . . . 64.21 110.457 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1248 ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 125.688 1.595 . . . . 68.08 110.939 177.974 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 113.027 0.751 . . . . 87.3 113.027 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' MET . . . . . . . . . . . . . 22.6 mmt -67.3 -22.59 65.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.152 1.168 . . . . 60.37 114.152 -168.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 9.2 p -62.52 -42.45 99.52 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.742 -0.647 . . . . 54.4 109.88 173.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 503' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -46.57 88.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 107.018 -1.475 . . . . 105.75 107.018 174.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 504' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -53.0 -54.56 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.495 -0.882 . . . . 37.74 110.624 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 505' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.1 -44.38 91.93 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 112.796 0.665 . . . . 44.51 112.796 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -58.94 -43.35 91.19 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 109.093 -0.706 . . . . 54.71 109.093 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 507' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.98 -46.29 89.9 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 108.69 -0.855 . . . . 61.23 108.69 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 508' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.65 -39.72 74.19 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.33 0.514 . . . . 53.01 112.024 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.78 -45.49 78.15 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.578 0.214 . . . . 55.76 111.578 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.82 -48.77 67.89 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 112.008 0.373 . . . . 53.17 112.008 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 511' ' ' ARG . . . . . . . . . . . . . 39.2 mtp-105 -55.73 -40.25 72.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 120.869 -0.332 . . . . 47.77 110.749 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 512' ' ' SER . . . . . . . . . . . . . 23.6 m -57.27 -46.26 83.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.177 1.177 . . . . 50.27 114.177 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -62.28 -44.99 95.25 Favored 'General case' 0 C--O 1.204 -1.326 0 O-C-N 123.354 0.409 . . . . 72.23 110.637 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' 1308 ' ' HOH . 55.4 m170 -63.38 -53.16 56.84 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 121.556 -0.715 . . . . 73.01 109.947 -174.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 515' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -42.79 93.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.48 -0.933 . . . . 58.78 108.48 -173.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 516' ' ' LEU . . . . . 0.455 HD22 ' HG ' ' D' 1226 ' ' LEU . 62.3 mt -66.4 -39.36 88.97 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 115.716 1.747 . . . . 63.18 115.716 179.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 517' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.27 -44.47 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.3 -0.63 . . . . 63.32 109.3 167.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -61.15 -40.87 95.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 119.717 -0.793 . . . . 86.29 110.231 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 519' ' ' LEU . . . . . 0.437 HD22 HG12 ' B' 1221 ' ' ILE . 42.9 mt -65.82 -35.79 81.67 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 118.724 -1.19 . . . . 54.13 112.239 177.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.63 -37.76 88.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.692 0.223 . . . . 59.36 111.334 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 112.475 0.546 . . . . 55.14 112.475 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 522' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -71.06 -37.94 72.5 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.986 0.365 . . . . 53.15 111.986 -173.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 523' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.1 -45.66 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 106.881 -1.525 . . . . 52.39 106.881 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 524' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.84 -49.57 68.15 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.891 0.744 . . . . 69.52 112.335 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 525' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.25 -39.66 83.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.374 -0.83 . . . . 81.99 110.987 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 526' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -51.67 66.69 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.847 -0.427 . . . . 53.58 109.847 177.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 527' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -50.5 -46.36 57.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.452 0.47 . . . . 87.46 111.991 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 528' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -69.79 -55.81 8.83 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.08 0.771 . . . . 96.71 113.08 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 529' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.42 -30.49 71.61 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.996 1.11 . . . . 94.12 113.996 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 530' ' ' SER . . . . . 0.472 ' OG ' ' NE ' ' D' 1211 ' ' ARG . 85.2 p -83.26 -27.31 29.97 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.746 0.703 . . . . 60.08 112.791 -177.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.42 -39.48 85.48 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.904 0.32 . . . . 86.17 110.495 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 532' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -39.87 81.24 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.994 -1.113 . . . . 89.2 107.994 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.2 m -66.09 -40.17 90.58 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.163 0.585 . . . . 75.86 110.163 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 534' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.88 -37.92 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 119.589 -0.845 . . . . 66.12 111.103 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 535' ' ' ARG . . . . . . . . . . . . . 13.8 ttp-105 -64.58 -46.27 83.44 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.965 -0.562 . . . . 75.99 110.228 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -56.0 -44.18 78.39 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.728 0.811 . . . . 81.12 112.801 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 537' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.51 -49.26 77.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.417 0.525 . . . . 66.74 112.417 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 538' ' ' THR . . . . . . . . . . . . . 41.6 m -59.76 -29.59 68.28 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 114.937 1.458 . . . . 76.4 114.937 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -73.26 -54.99 7.05 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 76.06 109.555 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 540' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.98 -29.13 70.58 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.896 1.813 . . . . 89.67 115.896 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 541' ' ' LYS . . . . . . . . . . . . . 38.8 tttt . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 118.432 0.56 . . . . 115.13 110.095 -177.32 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 N-CA-C 112.074 -0.411 . . . . 89.41 112.074 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.8 74.18 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.541 0.571 . . . . 76.86 112.541 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1207 ' ' LEU . . . . . 0.453 HD23 ' HD2' ' D' ' 537' ' ' PHE . 2.9 pp -68.51 -21.46 64.58 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.945 1.091 . . . . 101.02 113.945 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -78.83 -39.75 34.67 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.049 -0.66 . . . . 73.46 110.666 172.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1209 ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.45 -45.63 89.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 88.42 108.9 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1210 ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' B' ' 530' ' ' SER . 16.9 tp -55.14 -57.97 9.59 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 115.385 -0.825 . . . . 58.9 109.963 175.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.37 -46.17 72.98 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 115.612 -0.722 . . . . 92.73 110.687 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -45.56 -50.59 10.62 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.234 -1.147 . . . . 57.05 110.234 172.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1213 ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -63.47 -46.19 87.3 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.985 0.735 . . . . 54.04 112.985 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 56.7 t80 -57.55 -47.14 82.86 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.003 0.371 . . . . 65.96 112.003 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.99 -38.83 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.458 0.54 . . . . 65.62 112.458 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1216 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.291 0.496 . . . . 66.35 111.878 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -65.38 -47.71 75.42 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 121.918 0.866 . . . . 45.48 108.967 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1218 ' ' VAL . . . . . 0.493 HG11 HG13 ' D' ' 523' ' ' ILE . 22.2 t -57.11 -49.14 80.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 114.532 -1.213 . . . . 50.15 110.928 176.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -46.61 -54.69 8.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.468 0.48 . . . . 69.76 111.138 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 24.6 mttt -68.03 -30.61 69.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.399 0.518 . . . . 66.03 112.399 -172.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1221 ' ' ILE . . . . . 0.437 HG12 HD22 ' B' ' 519' ' ' LEU . 12.5 mt -67.78 -52.11 43.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 119.899 -0.72 . . . . 49.9 110.9 174.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -47.06 69.89 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 119.002 -0.523 . . . . 69.5 112.029 174.105 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 9.2 m -58.63 -45.75 88.56 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.389 0.995 . . . . 69.32 111.814 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1224 ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -63.9 -39.78 94.98 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.17 1.544 . . . . 58.47 115.17 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1225 ' ' MET . . . . . 0.56 ' O ' HD12 ' B' 1229 ' ' ILE . 85.1 mmm -71.03 -35.69 72.08 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 112.503 0.557 . . . . 58.5 112.503 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.52 -44.39 96.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.174 0.805 . . . . 52.56 113.174 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -58.45 -48.35 81.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.276 -0.639 . . . . 88.79 109.276 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1228 ' ' TYR . . . . . . . . . . . . . 50.8 t80 -59.26 -47.97 83.35 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.3 1.222 . . . . 62.56 114.3 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1229 ' ' ILE . . . . . 0.56 HD12 ' O ' ' B' 1225 ' ' MET . 2.5 mt -53.53 -47.41 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 114.133 1.16 . . . . 52.84 114.133 173.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.06 -37.87 89.02 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 113.06 0.763 . . . . 47.21 113.06 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -61.17 -46.01 92.25 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.643 -0.873 . . . . 74.45 108.643 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1232 ' ' SER . . . . . . . . . . . . . 60.3 m -55.21 -49.62 71.47 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 123.706 0.629 . . . . 49.97 109.455 -175.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -64.27 -38.96 92.91 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.728 -0.669 . . . . 52.03 112.615 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -65.63 -35.24 80.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.511 0.93 . . . . 50.58 113.511 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -66.32 -49.23 67.73 Favored 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 119.07 -1.052 . . . . 55.25 109.241 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.99 66.59 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.574 0.702 . . . . 35.96 109.871 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.26 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.6 -0.727 . . . . 45.31 111.561 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.3 -38.4 73.94 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.248 -0.581 . . . . 52.26 111.732 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -47.48 81.2 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.436 0.902 . . . . 77.02 113.436 175.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 2.5 t -44.31 -53.23 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 123.817 0.698 . . . . 51.63 111.511 170.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 65.9 tttt -58.58 -47.67 83.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.858 0.688 . . . . 63.67 112.858 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.28 83.96 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.308 1.225 . . . . 41.38 114.308 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1243 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.6 -47.97 80.67 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.797 0.332 . . . . 54.78 111.614 168.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 42.8 t -62.51 -49.32 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 O-C-N 121.558 -0.714 . . . . 46.27 110.357 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1245 ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.44 -30.46 40.63 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.97 1.1 . . . . 57.07 113.97 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1246 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.77 -9.24 58.42 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.295 1.22 . . . . 58.46 114.295 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1247 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.59 -21.9 38.07 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 114.616 1.339 . . . . 54.89 114.616 172.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1248 ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -68.98 -54.43 15.32 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 122.01 0.91 . . . . 71.9 111.519 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 114.307 -1.315 . . . . 76.81 110.779 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 114.893 1.442 . . . . 85.73 114.893 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 500' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -41.35 95.81 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.54 0.686 . . . . 91.59 112.044 176.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 501' ' ' MET . . . . . 0.869 ' SD ' ' O ' ' A' 1308 ' ' HOH . 89.2 mmm -77.27 -21.87 52.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.478 1.288 . . . . 63.72 114.478 -168.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 27.4 p -70.08 -41.39 74.14 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.619 -0.882 . . . . 54.14 108.619 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.24 0.459 . . . . 91.99 112.24 170.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.73 -43.79 90.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.422 -0.511 . . . . 39.83 110.531 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 51.1 tp -71.59 -36.38 70.82 Favored 'General case' 0 C--O 1.207 -1.164 0 C-N-CA 119.579 -0.848 . . . . 45.32 110.037 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -61.19 -38.47 86.66 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.155 -0.966 . . . . 59.23 110.588 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 507' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -67.81 -47.79 68.09 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.302 -1.317 . . . . 59.43 109.938 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 508' ' ' GLU . . . . . 0.719 ' OE2' ' NH1' ' C' 1235 ' ' ARG . 22.5 mm-40 -51.9 -47.34 64.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 118.627 0.649 . . . . 50.39 111.051 172.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.64 -42.7 79.36 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 118.756 -1.178 . . . . 45.82 110.196 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.18 -53.37 38.28 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 119.638 -0.825 . . . . 56.34 111.365 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 511' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -49.48 -41.69 41.25 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.344 -0.844 . . . . 47.98 112.09 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 50.8 m -63.09 -45.07 93.82 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 114.635 1.346 . . . . 46.91 114.635 172.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -59.33 -43.96 92.66 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 119.147 -0.454 . . . . 67.21 109.812 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 514' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -66.32 -48.61 69.73 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.348 0.976 . . . . 65.23 112.635 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 515' ' ' ILE . . . . . . . . . . . . . 7.6 tp -61.09 -38.95 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.792 0.33 . . . . 55.95 111.003 -174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.33 -34.98 78.47 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 113.686 0.995 . . . . 73.08 113.686 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -59.55 -48.38 81.89 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.078 -0.712 . . . . 58.87 109.078 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -75.89 -15.19 60.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 118.571 -1.251 . . . . 81.29 112.441 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.62 -34.94 58.34 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.468 0.914 . . . . 62.52 113.468 166.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.22 -38.06 89.23 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-O 121.357 0.598 . . . . 64.28 111.579 175.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.69 81.02 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.513 -1.221 . . . . 54.47 110.125 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 522' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -71.25 -48.31 51.83 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.652 0.595 . . . . 46.13 110.135 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 1.3 mt -52.47 -49.25 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.319 0.489 . . . . 48.22 112.319 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.86 -43.33 93.34 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 66.95 113.21 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.59 -42.37 71.02 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.727 0.411 . . . . 79.22 112.055 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.25 -49.12 78.38 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.302 0.482 . . . . 56.95 112.302 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -58.22 -34.63 70.61 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.538 0.94 . . . . 78.65 113.538 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -78.89 -52.43 8.3 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.774 0.657 . . . . 92.37 112.774 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -56.9 -36.06 69.71 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.677 -0.692 . . . . 97.71 112.764 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 530' ' ' SER . . . . . 0.514 ' OG ' ' NE ' ' A' 1211 ' ' ARG . 92.5 p -77.65 -34.84 53.02 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.748 1.018 . . . . 53.7 113.748 -175.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -61.16 -44.31 97.51 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.304 0.502 . . . . 74.23 110.459 169.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -54.18 -53.69 49.95 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.56 -0.712 . . . . 84.16 110.613 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 20.6 m -63.42 -37.22 86.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.926 0.713 . . . . 64.68 112.926 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.77 -31.27 50.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 C-N-CA 119.317 -0.953 . . . . 62.52 109.879 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 16.8 mtm105 -68.0 -43.29 79.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.35 0.87 . . . . 60.58 113.35 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 536' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -49.69 -58.03 6.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.942 0.497 . . . . 70.2 110.632 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 537' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.23 -37.44 77.52 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.602 1.334 . . . . 69.04 114.602 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 44.2 m -73.48 -33.42 64.83 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.332 0.514 . . . . 72.93 111.744 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -75.19 -10.96 59.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.352 0.501 . . . . 84.08 112.352 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.49 -167.34 1.31 Allowed 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.638 0.775 . . . . 82.1 111.714 169.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 541' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 123.135 0.574 . . . . 99.48 111.048 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 111.488 -0.645 . . . . 76.59 111.488 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1206 ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.53 70.24 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.51 -0.757 . . . . 71.36 112.073 171.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1207 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -31.0 71.95 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.048 0.759 . . . . 83.07 113.048 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1208 ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' C' 1211 ' ' ARG . 31.1 mm-40 -81.09 -35.06 32.16 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 123.694 0.621 . . . . 73.83 112.048 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1209 ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.67 -49.93 69.01 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.04 -0.664 . . . . 80.83 109.432 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1210 ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.8 -51.95 67.56 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 125.072 1.349 . . . . 63.22 112.76 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1211 ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' C' 1208 ' ' GLU . 0.8 OUTLIER -64.28 -47.22 80.36 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.911 -1.144 . . . . 78.02 107.911 176.871 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C 1212 ' ' GLY . . . . . . . . . . . . . . . -45.24 -41.88 8.57 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.865 -0.408 . . . . 48.03 112.838 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1213 ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -70.2 -50.32 41.29 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.977 0.732 . . . . 51.64 112.977 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1214 ' ' TYR . . . . . . . . . . . . . 28.8 t80 -56.39 -44.23 80.03 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 113.845 1.054 . . . . 66.22 113.845 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1215 ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.13 -43.67 81.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.924 -0.769 . . . . 64.77 108.924 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1216 ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -57.44 -49.91 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.106 0.78 . . . . 60.92 113.106 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1217 ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.97 86.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.11 -0.636 . . . . 48.1 109.678 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1218 ' ' VAL . . . . . . . . . . . . . 42.4 t -74.05 -43.52 51.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.282 -0.636 . . . . 54.52 109.282 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1219 ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -53.67 -44.77 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.477 -0.889 . . . . 73.2 111.288 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1220 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -68.97 -33.41 73.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.811 -0.44 . . . . 78.5 109.811 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1221 ' ' ILE . . . . . . . . . . . . . 35.1 mt -66.63 -38.74 82.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.066 -0.516 . . . . 46.38 111.042 174.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1222 ' ' LYS . . . . . . . . . . . . . 6.1 tttp -66.91 -42.71 84.99 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 122.447 0.299 . . . . 65.57 110.868 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1223 ' ' CYS . . . . . . . . . . . . . 24.9 m -59.08 -55.53 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.768 0.713 . . . . 78.78 111.231 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1224 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.43 -37.1 79.85 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 112.699 0.629 . . . . 52.18 112.699 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1225 ' ' MET . . . . . 0.427 ' O ' HD12 ' C' 1229 ' ' ILE . 64.8 mmm -68.58 -33.8 74.7 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 112.409 0.522 . . . . 57.7 112.409 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1226 ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.87 -39.15 79.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.363 0.505 . . . . 45.56 112.363 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1227 ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.37 -43.2 86.6 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.684 -0.635 . . . . 87.3 111.244 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1228 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -54.5 -56.2 21.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.637 0.375 . . . . 55.93 111.577 173.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1229 ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 512' ' ' SER . 13.2 mt -52.56 -57.2 4.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 O-C-N 124.088 0.868 . . . . 47.35 112.131 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1230 ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -52.2 -40.97 62.28 Favored 'General case' 0 C--O 1.252 1.218 0 N-CA-C 115.024 1.49 . . . . 42.5 115.024 172.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1231 ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.52 -42.97 98.42 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.567 -1.272 . . . . 69.66 107.567 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1232 ' ' SER . . . . . . . . . . . . . 58.8 m -59.8 -42.5 93.57 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 124.004 0.815 . . . . 46.01 109.489 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1233 ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.4 -40.65 85.63 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 120.327 -0.549 . . . . 45.52 109.956 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1234 ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -63.26 -41.65 99.08 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.465 -1.294 . . . . 42.02 112.761 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1235 ' ' ARG . . . . . 0.719 ' NH1' ' OE2' ' C' ' 508' ' ' GLU . 28.3 mtp-105 -57.97 -39.39 78.06 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.072 0.767 . . . . 56.33 113.072 176.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1236 ' ' ALA . . . . . . . . . . . . . . . -67.48 -42.35 83.1 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 107.852 -1.166 . . . . 38.74 107.852 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1237 ' ' ALA . . . . . . . . . . . . . . . -67.68 -36.03 79.95 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 109.695 -0.483 . . . . 50.79 109.695 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1238 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.58 -38.39 84.44 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.002 -1.079 . . . . 57.39 112.668 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1239 ' ' MET . . . . . . . . . . . . . 68.4 mtm -70.75 -41.9 71.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.591 0.756 . . . . 71.03 112.891 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1240 ' ' VAL . . . . . . . . . . . . . 2.3 t -46.79 -47.99 7.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 116.316 -0.402 . . . . 45.96 111.036 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1241 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -53.04 61.04 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.07 -0.514 . . . . 61.33 111.655 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C 1242 ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.37 73.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.382 0.512 . . . . 45.02 112.382 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1243 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.41 -44.21 88.94 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.611 0.597 . . . . 55.84 112.611 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1244 ' ' VAL . . . . . . . . . . . . . 53.1 t -69.74 -44.1 79.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 107.688 -1.227 . . . . 40.91 107.688 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1245 ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.19 -39.19 66.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 118.955 -1.098 . . . . 67.58 113.566 172.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1246 ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -62.49 -18.02 60.96 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.083 1.142 . . . . 53.55 114.083 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1247 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -73.94 -10.28 59.49 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 115.969 1.84 . . . . 56.89 115.969 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1248 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -53.04 132.31 37.67 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 119.342 0.974 . . . . 66.12 113.464 173.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.528 -0.545 . . . . 70.18 109.528 178.288 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 500' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.576 1.944 0 CA-C-O 117.894 -1.05 . . . . 75.6 112.216 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 501' ' ' MET . . . . . . . . . . . . . 29.1 mmt -82.59 -30.16 29.73 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 116.071 1.878 . . . . 72.48 116.071 -171.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 502' ' ' THR . . . . . . . . . . . . . 72.2 p -66.39 -38.71 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.657 -0.417 . . . . 53.04 110.504 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 503' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.03 -43.06 86.55 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.524 -0.471 . . . . 79.16 110.919 167.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 504' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.29 -47.66 85.07 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.251 0.344 . . . . 45.29 110.221 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 505' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.39 -43.2 96.85 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 119.829 -0.748 . . . . 44.94 112.018 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 506' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.45 -46.22 89.37 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 123.402 0.439 . . . . 78.43 110.116 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.23 -45.48 79.94 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.207 0.317 . . . . 62.51 110.576 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 508' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -56.25 -45.59 79.96 Favored 'General case' 0 C--O 1.256 1.409 0 C-N-CA 120.085 -0.646 . . . . 51.13 112.506 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 509' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.04 -48.41 76.05 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.145 0.903 . . . . 45.45 111.889 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.63 -61.74 2.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 119.269 -0.973 . . . . 54.68 109.539 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 511' ' ' ARG . . . . . 0.517 ' NH1' ' O ' ' D' 1301 ' ' HOH . 20.8 mtp85 -41.42 -49.84 3.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.758 1.223 . . . . 50.09 113.072 176.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 512' ' ' SER . . . . . . . . . . . . . 5.5 p -61.8 -46.26 90.3 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.316 1.228 . . . . 59.93 114.316 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 513' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.29 -37.62 86.21 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.948 -0.47 . . . . 84.35 111.067 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 514' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.9 -46.91 85.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.344 -0.542 . . . . 98.12 112.26 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 515' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.61 -46.43 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 118.936 -1.105 . . . . 62.66 110.268 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 516' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 -40.35 95.1 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.555 -0.716 . . . . 64.24 112.739 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 517' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.15 -28.99 67.77 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 119.562 -0.256 . . . . 72.26 111.454 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 518' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -70.63 -40.46 73.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.499 0.72 . . . . 106.56 111.583 171.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 519' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.63 -56.24 24.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.34 -0.544 . . . . 59.47 109.655 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 520' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -53.79 -47.66 70.59 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.866 1.432 . . . . 58.54 114.866 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.42 -49.27 55.21 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.851 -0.531 . . . . 74.62 111.645 169.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 522' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -70.7 -53.49 15.47 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.452 0.47 . . . . 88.94 109.747 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 523' ' ' ILE . . . . . 0.493 HG13 HG11 ' B' 1218 ' ' VAL . 0.0 OUTLIER -53.85 -39.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.734 -0.786 . . . . 85.05 112.261 176.856 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -42.62 79.22 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 119.312 -0.375 . . . . 86.01 111.628 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 525' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.48 -48.58 76.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.527 0.603 . . . . 105.99 109.98 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 526' ' ' LEU . . . . . 0.561 HD13 ' HB1' ' D' 1217 ' ' ALA . 4.1 mt -74.86 -16.49 60.68 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 113.273 0.842 . . . . 89.91 113.273 -177.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 527' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -73.52 -21.98 60.24 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.693 0.627 . . . . 99.61 112.693 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -88.88 -44.79 10.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.986 0.914 . . . . 104.13 112.527 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 529' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -55.99 -26.4 48.28 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 120.972 -0.291 . . . . 90.15 111.579 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 530' ' ' SER . . . . . 0.456 ' O ' HG23 ' D' ' 534' ' ' VAL . 5.5 p -79.36 -39.28 33.02 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.375 1.25 . . . . 83.45 114.375 173.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 531' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.13 -37.47 46.29 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.89 -0.506 . . . . 90.46 112.07 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 532' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -52.45 25.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.296 0.638 . . . . 91.16 112.126 -178.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 533' ' ' THR . . . . . . . . . . . . . 23.3 m -63.59 -35.15 79.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.761 0.652 . . . . 81.32 112.761 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 534' ' ' VAL . . . . . 0.456 HG23 ' O ' ' D' ' 530' ' ' SER . 72.3 t -64.57 -44.11 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 108.311 -0.996 . . . . 76.54 108.311 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 535' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -68.83 -23.86 64.31 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 123.944 0.777 . . . . 112.75 113.086 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 536' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -67.36 -48.92 66.05 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.18 -0.674 . . . . 78.27 109.18 167.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 537' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' B' 1207 ' ' LEU . 86.1 t80 -60.33 -26.56 66.66 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.116 1.895 . . . . 92.67 116.116 -179.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 538' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-N 119.63 1.105 . . . . 93.43 110.469 172.224 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1203 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.206 -0.665 . . . . 82.56 109.206 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1204 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.8 -37.85 85.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.322 -0.399 . . . . 96.49 110.222 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.04 95.64 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.937 -1.265 . . . . 87.79 109.937 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1206 ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.57 82.59 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 114.084 1.142 . . . . 67.69 114.084 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 17.1 tp -71.04 -39.45 72.29 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 112.488 0.551 . . . . 60.92 112.488 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.31 -42.37 96.38 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.891 -0.506 . . . . 76.92 111.634 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.08 -42.37 90.24 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.716 0.635 . . . . 84.5 111.598 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1210 ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.27 -53.0 62.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.493 0.496 . . . . 68.52 110.512 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1211 ' ' ARG . . . . . 0.472 ' NE ' ' OG ' ' B' ' 530' ' ' SER . 54.3 ttt-85 -56.11 -41.65 75.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.273 0.358 . . . . 67.62 111.016 179.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.43 76.32 Favored Glycine 0 C--O 1.22 -0.765 0 O-C-N 124.348 1.03 . . . . 62.6 114.363 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -76.6 -36.41 57.53 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.101 0.95 . . . . 72.65 112.02 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1214 ' ' TYR . . . . . 0.442 ' O ' HG23 ' D' 1218 ' ' VAL . 21.2 m-30 -63.84 -32.61 74.18 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.848 0.684 . . . . 76.02 112.848 173.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.66 -58.47 4.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.458 -2.423 . . . . 52.6 104.458 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -50.18 -33.67 19.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.018 1.488 . . . . 82.74 115.018 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1217 ' ' ALA . . . . . 0.561 ' HB1' HD13 ' D' ' 526' ' ' LEU . . . -64.64 -48.7 73.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 120.894 0.378 . . . . 59.78 110.021 176.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1218 ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' 1214 ' ' TYR . 42.3 t -72.11 -22.35 21.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.251 0 CA-C-N 114.823 -1.08 . . . . 50.11 111.609 -175.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.99 -33.48 59.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.383 0.538 . . . . 58.94 111.03 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -69.57 -39.86 77.12 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.258 0.466 . . . . 85.06 112.258 170.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 29.4 mm -54.44 -61.06 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 108.556 -0.905 . . . . 55.98 108.556 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 28.5 tttt -49.64 -49.7 46.08 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.423 0.556 . . . . 56.62 111.216 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -39.75 67.36 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 114.647 1.351 . . . . 75.22 114.647 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1224 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.57 -42.81 91.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 123.275 0.36 . . . . 64.38 111.635 173.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1225 ' ' MET . . . . . 0.476 ' O ' HD12 ' D' 1229 ' ' ILE . 25.5 mmt -69.41 -31.6 70.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.421 0.897 . . . . 63.04 113.421 -178.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1226 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' B' ' 516' ' ' LEU . 2.6 mt -60.34 -43.66 96.24 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.333 0.864 . . . . 46.86 113.333 172.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -62.53 -40.76 97.81 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.947 -0.57 . . . . 71.02 111.836 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.21 -50.66 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.674 0.62 . . . . 50.58 112.674 173.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1229 ' ' ILE . . . . . 0.476 HD12 ' O ' ' D' 1225 ' ' MET . 1.3 mp -60.14 -45.12 96.28 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 N-CA-C 113.671 0.989 . . . . 47.08 113.671 173.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -54.89 -50.14 69.47 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.108 -0.637 . . . . 41.68 112.247 173.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -59.79 -35.36 74.51 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 115.635 1.717 . . . . 66.61 115.635 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 3.5 m -52.13 -46.62 65.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.342 1.428 . . . . 51.58 112.024 164.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.41 -43.28 91.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.104 -1.039 . . . . 38.21 110.658 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.43 -47.44 85.48 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.802 -0.814 . . . . 53.37 108.802 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1235 ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -55.91 -40.56 73.23 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 112.726 0.639 . . . . 60.84 112.726 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.32 74.3 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 124.062 0.851 . . . . 44.29 110.245 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.8 92.95 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.636 -1.165 . . . . 42.72 110.05 176.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.79 -33.66 66.89 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.453 0.908 . . . . 60.76 113.453 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 66.1 mtm -77.67 -24.19 49.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 115.032 1.493 . . . . 70.42 115.032 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 41.7 t -62.21 -42.77 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 119.551 -0.86 . . . . 50.08 109.971 162.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 42.5 tttm -61.2 -45.64 93.77 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.821 -0.751 . . . . 59.39 112.302 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.81 74.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.828 0.677 . . . . 49.02 112.828 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.5 -32.4 73.85 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.363 -0.606 . . . . 56.43 109.363 172.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 48.8 t -74.58 -50.3 27.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 109.309 -0.626 . . . . 51.18 109.309 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.56 -24.39 46.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.543 0.942 . . . . 70.75 113.543 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 -80.1 -8.25 59.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.395 0.998 . . . . 69.57 112.472 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -78.58 -14.71 59.2 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.613 -0.708 . . . . 66.69 112.639 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -57.2 -71.96 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.419 0.526 . . . . 85.18 112.419 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.369 -0.604 . . . . 116.49 109.369 -178.576 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1308 ' ' HOH . . . . . 0.869 ' O ' ' SD ' ' C' ' 501' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1308 ' ' HOH . . . . . 0.429 ' O ' ' HB3' ' B' ' 514' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1308 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1301 ' ' HOH . . . . . 0.517 ' O ' ' NH1' ' D' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.405 0.52 . . . . 78.55 112.405 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -44.82 18.86 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 116.262 -0.427 . . . . 77.67 112.046 -170.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' MET . . . . . 0.483 ' HE1' ' O ' ' A' 1308 ' ' HOH . 3.7 tpp -71.32 -20.88 62.13 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 117.202 2.297 . . . . 61.77 117.202 -164.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 70.6 p -69.79 -39.54 76.54 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 120.455 -0.498 . . . . 47.5 110.609 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -63.18 -34.63 78.05 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 120.602 -0.439 . . . . 91.97 111.719 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.2 -50.91 71.89 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.168 -0.678 . . . . 46.45 109.168 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.18 -51.35 69.69 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.017 0.747 . . . . 44.78 113.017 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.95 -56.99 7.23 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.818 -0.808 . . . . 69.93 108.818 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -53.6 -43.67 68.82 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 123.643 0.589 . . . . 63.82 111.399 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.91 -48.18 82.36 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 120.23 -0.588 . . . . 55.61 110.437 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -49.94 -49.8 48.78 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 122.266 1.031 . . . . 45.59 112.792 172.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.99 -57.88 10.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.372 -0.831 . . . . 52.14 112.153 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -48.72 -45.54 39.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.484 0.714 . . . . 59.41 112.461 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' SER . . . . . 0.51 ' HB2' HG23 ' C' 1229 ' ' ILE . 2.2 p -60.46 -39.57 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.274 0.842 . . . . 65.97 113.274 -178.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.97 -34.77 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.058 -0.401 . . . . 83.34 111.351 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.33 -40.41 85.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 118.695 0.68 . . . . 87.55 112.582 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 8.4 tp -66.87 -38.35 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.763 0.711 . . . . 57.13 111.794 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.22 -28.5 66.41 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.184 0.809 . . . . 66.64 113.184 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.33 -49.83 70.2 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.722 0.692 . . . . 69.59 110.068 168.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -41.71 62.1 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.305 1.003 . . . . 101.52 113.276 174.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.86 -60.47 2.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.61 -1.256 . . . . 59.16 107.61 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -57.06 -38.81 73.79 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.711 0.632 . . . . 60.04 112.142 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.4 -66.88 0.34 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 118.936 -0.554 . . . . 76.96 111.681 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HIS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 525' ' ' GLU 0.432 0.0 OUTLIER -78.93 -13.56 59.73 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.264 1.949 . . . . 81.17 116.264 -175.966 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.6 mt -56.53 -56.3 14.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 107.143 -1.428 . . . . 76.28 107.143 163.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.78 -42.9 97.69 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.494 -1.23 . . . . 93.76 110.048 -172.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 522' ' ' HIS . 2.2 tt0 -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.838 0.455 . . . . 86.0 112.069 173.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' 1217 ' ' ALA . 12.9 mt -69.88 -18.67 63.42 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.373 0.508 . . . . 78.57 112.373 -178.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -71.12 -37.02 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.6 0.963 . . . . 82.33 113.6 166.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -60.21 -49.2 78.55 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.654 0.382 . . . . 91.12 110.553 172.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.01 -35.42 73.22 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.919 0.762 . . . . 84.28 112.398 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 p -76.64 -34.6 58.3 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.55 1.685 . . . . 84.49 115.55 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.05 -39.36 71.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.487 0.315 . . . . 91.9 111.111 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.31 -54.42 47.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.654 0.782 . . . . 101.96 111.501 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.8 p -78.19 -31.76 49.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.012 0.375 . . . . 69.85 112.012 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 t -59.06 -46.96 91.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.225 -1.028 . . . . 64.68 108.225 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 17.1 ttm105 -54.56 -36.18 64.06 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 115.556 1.687 . . . . 94.8 115.556 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.23 -57.78 6.82 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 123.882 0.739 . . . . 76.89 110.55 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -51.5 -36.74 45.9 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.764 1.394 . . . . 92.9 114.764 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 47.3 m -61.09 -39.21 89.07 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 111.825 0.306 . . . . 100.33 111.825 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.96 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.857 0.688 . . . . 99.49 112.857 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 40.3 mt -72.12 2.95 4.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.511 1.3 . . . . 92.97 114.511 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.482 1.136 0 C-N-CA 124.934 1.294 . . . . 85.98 109.351 179.194 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1202 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 114.663 0.625 . . . . 72.8 114.663 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1203 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -31.42 72.52 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.089 0.555 . . . . 70.5 111.635 -168.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1204 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.31 -44.11 14.13 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.801 0.84 . . . . 76.54 111.507 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.06 77.89 Favored Glycine 0 N--CA 1.468 0.808 0 N-CA-C 110.703 -0.959 . . . . 63.54 110.703 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1206 ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.64 67.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.695 1.739 . . . . 57.0 115.695 170.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1207 ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.47 -32.45 68.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.303 -0.873 . . . . 53.4 112.787 169.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1208 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.66 -42.03 87.25 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 122.121 -0.362 . . . . 76.03 111.072 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1209 ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.49 -43.18 93.37 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.051 0.844 . . . . 88.49 112.727 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1210 ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.19 -48.95 79.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.609 0.243 . . . . 69.64 111.586 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1211 ' ' ARG . . . . . 0.514 ' NE ' ' OG ' ' C' ' 530' ' ' SER . 63.2 ttt-85 -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.339 -0.391 . . . . 65.35 110.463 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1212 ' ' GLY . . . . . . . . . . . . . . . -60.31 -28.25 66.75 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.054 0.846 . . . . 58.04 114.785 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1213 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.01 -36.63 64.49 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.086 0.773 . . . . 66.95 113.086 173.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1214 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -68.37 -39.62 81.73 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.188 0.449 . . . . 64.35 111.314 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1215 ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.35 -50.02 43.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 107.557 -1.275 . . . . 53.77 107.557 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1216 ' ' LYS . . . . . . . . . . . . . 16.6 tttp -54.72 -42.36 71.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.109 1.151 . . . . 71.81 114.109 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1217 ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 526' ' ' LEU . . . -59.23 -48.86 80.03 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.912 0.324 . . . . 49.43 111.333 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1218 ' ' VAL . . . . . . . . . . . . . 24.0 t -68.07 -24.46 30.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.676 0 O-C-N 124.445 1.091 . . . . 50.62 113.165 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1219 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -69.05 -37.69 78.7 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 120.795 -1.191 . . . . 64.52 112.131 166.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1220 ' ' LYS . . . . . . . . . . . . . 23.0 mttt -67.37 -35.78 80.03 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.987 -0.685 . . . . 84.28 112.623 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1221 ' ' ILE . . . . . . . . . . . . . 8.8 mt -59.43 -53.51 47.28 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 109.269 -0.641 . . . . 53.82 109.269 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1222 ' ' LYS . . . . . . . . . . . . . 17.7 tttt -50.22 -49.18 53.57 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 112.749 0.648 . . . . 59.31 112.749 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1223 ' ' CYS . . . . . . . . . . . . . 60.2 m -56.36 -39.03 72.23 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 114.81 1.411 . . . . 64.87 114.81 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1224 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -69.6 -37.95 77.11 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 111.677 0.251 . . . . 61.64 111.677 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1225 ' ' MET . . . . . . . . . . . . . 27.2 mmt -67.91 -37.3 81.53 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.689 -0.804 . . . . 54.71 112.133 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1226 ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.15 -45.46 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.36 0.874 . . . . 48.16 113.36 171.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1227 ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -58.51 -42.54 87.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 121.14 -0.224 . . . . 85.1 110.714 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1228 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -52.39 65.68 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 121.205 0.526 . . . . 43.59 111.106 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1229 ' ' ILE . . . . . . . . . . . . . 41.1 mm -56.29 -51.17 66.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 115.435 -0.802 . . . . 43.33 110.415 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1230 ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -49.54 -47.16 49.19 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 120.654 -0.418 . . . . 47.99 110.554 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1231 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.4 -44.18 92.84 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.885 1.069 . . . . 74.39 113.885 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1232 ' ' SER . . . . . . . . . . . . . 19.3 m -52.22 -43.88 64.49 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 118.516 0.598 . . . . 48.9 111.99 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1233 ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -64.65 -38.31 90.57 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.309 -0.956 . . . . 43.88 110.94 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1234 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -66.32 -41.77 89.2 Favored 'General case' 0 C--O 1.223 -0.322 0 O-C-N 123.622 0.576 . . . . 44.41 109.891 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1235 ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -58.8 -48.11 82.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.311 0.505 . . . . 57.37 111.522 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1236 ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.965 -0.561 . . . . 34.11 110.307 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1237 ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.49 73.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 39.78 110.309 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1238 ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.62 -32.15 50.1 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.967 0.728 . . . . 60.99 112.967 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1239 ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.55 -33.76 62.8 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 115.272 1.582 . . . . 65.23 115.272 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1240 ' ' VAL . . . . . . . . . . . . . 40.0 t -55.32 -45.42 77.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 O-C-N 121.117 -0.989 . . . . 46.56 110.839 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1241 ' ' LYS . . . . . . . . . . . . . 3.3 tttm -61.06 -56.54 19.79 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.229 -0.441 . . . . 59.67 111.113 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1242 ' ' ALA . . . . . . . . . . . . . . . -64.1 -30.84 71.88 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.343 0.497 . . . . 53.07 112.343 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1243 ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -65.25 -34.42 78.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 118.82 -1.152 . . . . 57.22 109.191 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1244 ' ' VAL . . . . . . . . . . . . . 28.5 t -71.71 -44.17 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 N-CA-C 109.083 -0.71 . . . . 45.02 109.083 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1245 ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.36 -29.86 66.32 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 118.911 -1.116 . . . . 64.55 113.762 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1246 ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -80.85 -9.58 59.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.028 0.831 . . . . 71.55 112.899 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1247 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -73.04 -16.62 61.49 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 117.922 0.328 . . . . 64.21 110.457 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1248 ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 125.688 1.595 . . . . 68.08 110.939 177.974 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 113.027 0.751 . . . . 87.3 113.027 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' MET . . . . . . . . . . . . . 22.6 mmt -67.3 -22.59 65.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.152 1.168 . . . . 60.37 114.152 -168.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 9.2 p -62.52 -42.45 99.52 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.742 -0.647 . . . . 54.4 109.88 173.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -46.57 88.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 107.018 -1.475 . . . . 105.75 107.018 174.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -53.0 -54.56 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.495 -0.882 . . . . 37.74 110.624 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.1 -44.38 91.93 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 112.796 0.665 . . . . 44.51 112.796 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -58.94 -43.35 91.19 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 109.093 -0.706 . . . . 54.71 109.093 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.98 -46.29 89.9 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 108.69 -0.855 . . . . 61.23 108.69 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.65 -39.72 74.19 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.33 0.514 . . . . 53.01 112.024 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.78 -45.49 78.15 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.578 0.214 . . . . 55.76 111.578 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.82 -48.77 67.89 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 112.008 0.373 . . . . 53.17 112.008 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' ARG . . . . . . . . . . . . . 39.2 mtp-105 -55.73 -40.25 72.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 120.869 -0.332 . . . . 47.77 110.749 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' SER . . . . . . . . . . . . . 23.6 m -57.27 -46.26 83.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.177 1.177 . . . . 50.27 114.177 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -62.28 -44.99 95.25 Favored 'General case' 0 C--O 1.204 -1.326 0 O-C-N 123.354 0.409 . . . . 72.23 110.637 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' 1308 ' ' HOH . 55.4 m170 -63.38 -53.16 56.84 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 121.556 -0.715 . . . . 73.01 109.947 -174.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -42.79 93.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.48 -0.933 . . . . 58.78 108.48 -173.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 516' ' ' LEU . . . . . 0.455 HD22 ' HG ' ' D' 1226 ' ' LEU . 62.3 mt -66.4 -39.36 88.97 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 115.716 1.747 . . . . 63.18 115.716 179.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 517' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.27 -44.47 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.3 -0.63 . . . . 63.32 109.3 167.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -61.15 -40.87 95.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 119.717 -0.793 . . . . 86.29 110.231 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 519' ' ' LEU . . . . . 0.437 HD22 HG12 ' B' 1221 ' ' ILE . 42.9 mt -65.82 -35.79 81.67 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 118.724 -1.19 . . . . 54.13 112.239 177.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 520' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.63 -37.76 88.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.692 0.223 . . . . 59.36 111.334 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 112.475 0.546 . . . . 55.14 112.475 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 522' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -71.06 -37.94 72.5 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.986 0.365 . . . . 53.15 111.986 -173.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 523' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.1 -45.66 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 106.881 -1.525 . . . . 52.39 106.881 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 524' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.84 -49.57 68.15 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.891 0.744 . . . . 69.52 112.335 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 525' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.25 -39.66 83.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.374 -0.83 . . . . 81.99 110.987 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 526' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -51.67 66.69 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.847 -0.427 . . . . 53.58 109.847 177.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 527' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -50.5 -46.36 57.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.452 0.47 . . . . 87.46 111.991 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 528' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -69.79 -55.81 8.83 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.08 0.771 . . . . 96.71 113.08 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 529' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.42 -30.49 71.61 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.996 1.11 . . . . 94.12 113.996 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 530' ' ' SER . . . . . 0.472 ' OG ' ' NE ' ' D' 1211 ' ' ARG . 85.2 p -83.26 -27.31 29.97 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.746 0.703 . . . . 60.08 112.791 -177.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.42 -39.48 85.48 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.904 0.32 . . . . 86.17 110.495 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 532' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -39.87 81.24 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.994 -1.113 . . . . 89.2 107.994 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.2 m -66.09 -40.17 90.58 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.163 0.585 . . . . 75.86 110.163 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 534' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.88 -37.92 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 119.589 -0.845 . . . . 66.12 111.103 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 535' ' ' ARG . . . . . . . . . . . . . 13.8 ttp-105 -64.58 -46.27 83.44 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.965 -0.562 . . . . 75.99 110.228 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 536' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -56.0 -44.18 78.39 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.728 0.811 . . . . 81.12 112.801 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 537' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.51 -49.26 77.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.417 0.525 . . . . 66.74 112.417 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 538' ' ' THR . . . . . . . . . . . . . 41.6 m -59.76 -29.59 68.28 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 114.937 1.458 . . . . 76.4 114.937 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 539' ' ' ALA . . . . . . . . . . . . . . . -73.26 -54.99 7.05 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 76.06 109.555 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 540' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.98 -29.13 70.58 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.896 1.813 . . . . 89.67 115.896 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 541' ' ' LYS . . . . . . . . . . . . . 38.8 tttt . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 118.432 0.56 . . . . 115.13 110.095 -177.32 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 N-CA-C 112.074 -0.411 . . . . 89.41 112.074 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.8 74.18 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.541 0.571 . . . . 76.86 112.541 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1207 ' ' LEU . . . . . 0.453 HD23 ' HD2' ' D' ' 537' ' ' PHE . 2.9 pp -68.51 -21.46 64.58 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.945 1.091 . . . . 101.02 113.945 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -78.83 -39.75 34.67 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.049 -0.66 . . . . 73.46 110.666 172.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1209 ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.45 -45.63 89.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 88.42 108.9 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1210 ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' B' ' 530' ' ' SER . 16.9 tp -55.14 -57.97 9.59 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 115.385 -0.825 . . . . 58.9 109.963 175.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.37 -46.17 72.98 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 115.612 -0.722 . . . . 92.73 110.687 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -45.56 -50.59 10.62 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.234 -1.147 . . . . 57.05 110.234 172.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1213 ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -63.47 -46.19 87.3 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.985 0.735 . . . . 54.04 112.985 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 56.7 t80 -57.55 -47.14 82.86 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.003 0.371 . . . . 65.96 112.003 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.99 -38.83 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.458 0.54 . . . . 65.62 112.458 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1216 ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.291 0.496 . . . . 66.35 111.878 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -65.38 -47.71 75.42 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 121.918 0.866 . . . . 45.48 108.967 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1218 ' ' VAL . . . . . 0.493 HG11 HG13 ' D' ' 523' ' ' ILE . 22.2 t -57.11 -49.14 80.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 114.532 -1.213 . . . . 50.15 110.928 176.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -46.61 -54.69 8.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.468 0.48 . . . . 69.76 111.138 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 24.6 mttt -68.03 -30.61 69.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.399 0.518 . . . . 66.03 112.399 -172.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1221 ' ' ILE . . . . . 0.437 HG12 HD22 ' B' ' 519' ' ' LEU . 12.5 mt -67.78 -52.11 43.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 119.899 -0.72 . . . . 49.9 110.9 174.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -47.06 69.89 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 119.002 -0.523 . . . . 69.5 112.029 174.105 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 9.2 m -58.63 -45.75 88.56 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.389 0.995 . . . . 69.32 111.814 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1224 ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -63.9 -39.78 94.98 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.17 1.544 . . . . 58.47 115.17 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1225 ' ' MET . . . . . 0.56 ' O ' HD12 ' B' 1229 ' ' ILE . 85.1 mmm -71.03 -35.69 72.08 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 112.503 0.557 . . . . 58.5 112.503 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.52 -44.39 96.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.174 0.805 . . . . 52.56 113.174 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -58.45 -48.35 81.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.276 -0.639 . . . . 88.79 109.276 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1228 ' ' TYR . . . . . . . . . . . . . 50.8 t80 -59.26 -47.97 83.35 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.3 1.222 . . . . 62.56 114.3 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1229 ' ' ILE . . . . . 0.56 HD12 ' O ' ' B' 1225 ' ' MET . 2.5 mt -53.53 -47.41 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 114.133 1.16 . . . . 52.84 114.133 173.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.06 -37.87 89.02 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 113.06 0.763 . . . . 47.21 113.06 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -61.17 -46.01 92.25 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.643 -0.873 . . . . 74.45 108.643 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1232 ' ' SER . . . . . . . . . . . . . 60.3 m -55.21 -49.62 71.47 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 123.706 0.629 . . . . 49.97 109.455 -175.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -64.27 -38.96 92.91 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.728 -0.669 . . . . 52.03 112.615 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -65.63 -35.24 80.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.511 0.93 . . . . 50.58 113.511 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -66.32 -49.23 67.73 Favored 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 119.07 -1.052 . . . . 55.25 109.241 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.99 66.59 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.574 0.702 . . . . 35.96 109.871 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.26 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.6 -0.727 . . . . 45.31 111.561 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.3 -38.4 73.94 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.248 -0.581 . . . . 52.26 111.732 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -47.48 81.2 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.436 0.902 . . . . 77.02 113.436 175.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 2.5 t -44.31 -53.23 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 123.817 0.698 . . . . 51.63 111.511 170.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 65.9 tttt -58.58 -47.67 83.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.858 0.688 . . . . 63.67 112.858 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.28 83.96 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.308 1.225 . . . . 41.38 114.308 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1243 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.6 -47.97 80.67 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.797 0.332 . . . . 54.78 111.614 168.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 42.8 t -62.51 -49.32 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 O-C-N 121.558 -0.714 . . . . 46.27 110.357 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1245 ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.44 -30.46 40.63 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.97 1.1 . . . . 57.07 113.97 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1246 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.77 -9.24 58.42 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.295 1.22 . . . . 58.46 114.295 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1247 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.59 -21.9 38.07 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 114.616 1.339 . . . . 54.89 114.616 172.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1248 ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -68.98 -54.43 15.32 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 122.01 0.91 . . . . 71.9 111.519 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 114.307 -1.315 . . . . 76.81 110.779 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 499' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 114.893 1.442 . . . . 85.73 114.893 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 500' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -41.35 95.81 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.54 0.686 . . . . 91.59 112.044 176.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 501' ' ' MET . . . . . 0.869 ' SD ' ' O ' ' A' 1308 ' ' HOH . 89.2 mmm -77.27 -21.87 52.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.478 1.288 . . . . 63.72 114.478 -168.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 27.4 p -70.08 -41.39 74.14 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.619 -0.882 . . . . 54.14 108.619 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.24 0.459 . . . . 91.99 112.24 170.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.73 -43.79 90.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.422 -0.511 . . . . 39.83 110.531 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 51.1 tp -71.59 -36.38 70.82 Favored 'General case' 0 C--O 1.207 -1.164 0 C-N-CA 119.579 -0.848 . . . . 45.32 110.037 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -61.19 -38.47 86.66 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.155 -0.966 . . . . 59.23 110.588 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 507' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -67.81 -47.79 68.09 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.302 -1.317 . . . . 59.43 109.938 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 508' ' ' GLU . . . . . 0.719 ' OE2' ' NH1' ' C' 1235 ' ' ARG . 22.5 mm-40 -51.9 -47.34 64.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 118.627 0.649 . . . . 50.39 111.051 172.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.64 -42.7 79.36 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 118.756 -1.178 . . . . 45.82 110.196 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.18 -53.37 38.28 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 119.638 -0.825 . . . . 56.34 111.365 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 511' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -49.48 -41.69 41.25 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.344 -0.844 . . . . 47.98 112.09 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 50.8 m -63.09 -45.07 93.82 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 114.635 1.346 . . . . 46.91 114.635 172.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -59.33 -43.96 92.66 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 119.147 -0.454 . . . . 67.21 109.812 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 514' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -66.32 -48.61 69.73 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.348 0.976 . . . . 65.23 112.635 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 515' ' ' ILE . . . . . . . . . . . . . 7.6 tp -61.09 -38.95 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.792 0.33 . . . . 55.95 111.003 -174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.33 -34.98 78.47 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 113.686 0.995 . . . . 73.08 113.686 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -59.55 -48.38 81.89 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.078 -0.712 . . . . 58.87 109.078 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -75.89 -15.19 60.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 118.571 -1.251 . . . . 81.29 112.441 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.62 -34.94 58.34 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.468 0.914 . . . . 62.52 113.468 166.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.22 -38.06 89.23 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-O 121.357 0.598 . . . . 64.28 111.579 175.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.69 81.02 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.513 -1.221 . . . . 54.47 110.125 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 522' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -71.25 -48.31 51.83 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.652 0.595 . . . . 46.13 110.135 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 1.3 mt -52.47 -49.25 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.319 0.489 . . . . 48.22 112.319 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.86 -43.33 93.34 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 66.95 113.21 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.59 -42.37 71.02 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.727 0.411 . . . . 79.22 112.055 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.25 -49.12 78.38 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.302 0.482 . . . . 56.95 112.302 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -58.22 -34.63 70.61 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.538 0.94 . . . . 78.65 113.538 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -78.89 -52.43 8.3 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.774 0.657 . . . . 92.37 112.774 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -56.9 -36.06 69.71 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.677 -0.692 . . . . 97.71 112.764 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 530' ' ' SER . . . . . 0.514 ' OG ' ' NE ' ' A' 1211 ' ' ARG . 92.5 p -77.65 -34.84 53.02 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.748 1.018 . . . . 53.7 113.748 -175.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -61.16 -44.31 97.51 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.304 0.502 . . . . 74.23 110.459 169.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -54.18 -53.69 49.95 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.56 -0.712 . . . . 84.16 110.613 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 20.6 m -63.42 -37.22 86.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.926 0.713 . . . . 64.68 112.926 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.77 -31.27 50.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 C-N-CA 119.317 -0.953 . . . . 62.52 109.879 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 16.8 mtm105 -68.0 -43.29 79.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.35 0.87 . . . . 60.58 113.35 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 536' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -49.69 -58.03 6.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.942 0.497 . . . . 70.2 110.632 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 537' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.23 -37.44 77.52 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.602 1.334 . . . . 69.04 114.602 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 44.2 m -73.48 -33.42 64.83 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.332 0.514 . . . . 72.93 111.744 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -75.19 -10.96 59.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.352 0.501 . . . . 84.08 112.352 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.49 -167.34 1.31 Allowed 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.638 0.775 . . . . 82.1 111.714 169.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 541' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 123.135 0.574 . . . . 99.48 111.048 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 111.488 -0.645 . . . . 76.59 111.488 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1206 ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.53 70.24 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.51 -0.757 . . . . 71.36 112.073 171.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1207 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -31.0 71.95 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.048 0.759 . . . . 83.07 113.048 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1208 ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' C' 1211 ' ' ARG . 31.1 mm-40 -81.09 -35.06 32.16 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 123.694 0.621 . . . . 73.83 112.048 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1209 ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.67 -49.93 69.01 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.04 -0.664 . . . . 80.83 109.432 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1210 ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.8 -51.95 67.56 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 125.072 1.349 . . . . 63.22 112.76 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1211 ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' C' 1208 ' ' GLU . 0.8 OUTLIER -64.28 -47.22 80.36 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.911 -1.144 . . . . 78.02 107.911 176.871 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C 1212 ' ' GLY . . . . . . . . . . . . . . . -45.24 -41.88 8.57 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.865 -0.408 . . . . 48.03 112.838 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1213 ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -70.2 -50.32 41.29 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.977 0.732 . . . . 51.64 112.977 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1214 ' ' TYR . . . . . . . . . . . . . 28.8 t80 -56.39 -44.23 80.03 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 113.845 1.054 . . . . 66.22 113.845 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1215 ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.13 -43.67 81.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.924 -0.769 . . . . 64.77 108.924 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1216 ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -57.44 -49.91 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.106 0.78 . . . . 60.92 113.106 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1217 ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.97 86.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.11 -0.636 . . . . 48.1 109.678 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1218 ' ' VAL . . . . . . . . . . . . . 42.4 t -74.05 -43.52 51.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.282 -0.636 . . . . 54.52 109.282 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1219 ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -53.67 -44.77 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.477 -0.889 . . . . 73.2 111.288 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1220 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -68.97 -33.41 73.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.811 -0.44 . . . . 78.5 109.811 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1221 ' ' ILE . . . . . . . . . . . . . 35.1 mt -66.63 -38.74 82.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.066 -0.516 . . . . 46.38 111.042 174.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1222 ' ' LYS . . . . . . . . . . . . . 6.1 tttp -66.91 -42.71 84.99 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 122.447 0.299 . . . . 65.57 110.868 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1223 ' ' CYS . . . . . . . . . . . . . 24.9 m -59.08 -55.53 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.768 0.713 . . . . 78.78 111.231 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1224 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.43 -37.1 79.85 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 112.699 0.629 . . . . 52.18 112.699 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1225 ' ' MET . . . . . 0.427 ' O ' HD12 ' C' 1229 ' ' ILE . 64.8 mmm -68.58 -33.8 74.7 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 112.409 0.522 . . . . 57.7 112.409 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1226 ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.87 -39.15 79.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.363 0.505 . . . . 45.56 112.363 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1227 ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.37 -43.2 86.6 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.684 -0.635 . . . . 87.3 111.244 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1228 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -54.5 -56.2 21.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.637 0.375 . . . . 55.93 111.577 173.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1229 ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 512' ' ' SER . 13.2 mt -52.56 -57.2 4.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 O-C-N 124.088 0.868 . . . . 47.35 112.131 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1230 ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -52.2 -40.97 62.28 Favored 'General case' 0 C--O 1.252 1.218 0 N-CA-C 115.024 1.49 . . . . 42.5 115.024 172.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1231 ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -63.52 -42.97 98.42 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.567 -1.272 . . . . 69.66 107.567 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1232 ' ' SER . . . . . . . . . . . . . 58.8 m -59.8 -42.5 93.57 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 124.004 0.815 . . . . 46.01 109.489 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1233 ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.4 -40.65 85.63 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 120.327 -0.549 . . . . 45.52 109.956 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1234 ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -63.26 -41.65 99.08 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.465 -1.294 . . . . 42.02 112.761 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1235 ' ' ARG . . . . . 0.719 ' NH1' ' OE2' ' C' ' 508' ' ' GLU . 28.3 mtp-105 -57.97 -39.39 78.06 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.072 0.767 . . . . 56.33 113.072 176.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1236 ' ' ALA . . . . . . . . . . . . . . . -67.48 -42.35 83.1 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 107.852 -1.166 . . . . 38.74 107.852 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1237 ' ' ALA . . . . . . . . . . . . . . . -67.68 -36.03 79.95 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 109.695 -0.483 . . . . 50.79 109.695 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1238 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.58 -38.39 84.44 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.002 -1.079 . . . . 57.39 112.668 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1239 ' ' MET . . . . . . . . . . . . . 68.4 mtm -70.75 -41.9 71.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.591 0.756 . . . . 71.03 112.891 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1240 ' ' VAL . . . . . . . . . . . . . 2.3 t -46.79 -47.99 7.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 116.316 -0.402 . . . . 45.96 111.036 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1241 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -53.04 61.04 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.07 -0.514 . . . . 61.33 111.655 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C 1242 ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.37 73.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.382 0.512 . . . . 45.02 112.382 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1243 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.41 -44.21 88.94 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.611 0.597 . . . . 55.84 112.611 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1244 ' ' VAL . . . . . . . . . . . . . 53.1 t -69.74 -44.1 79.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 107.688 -1.227 . . . . 40.91 107.688 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1245 ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.19 -39.19 66.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 118.955 -1.098 . . . . 67.58 113.566 172.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1246 ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -62.49 -18.02 60.96 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.083 1.142 . . . . 53.55 114.083 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1247 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -73.94 -10.28 59.49 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 115.969 1.84 . . . . 56.89 115.969 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1248 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -53.04 132.31 37.67 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 119.342 0.974 . . . . 66.12 113.464 173.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.528 -0.545 . . . . 70.18 109.528 178.288 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 500' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.576 1.944 0 CA-C-O 117.894 -1.05 . . . . 75.6 112.216 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 501' ' ' MET . . . . . . . . . . . . . 29.1 mmt -82.59 -30.16 29.73 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 116.071 1.878 . . . . 72.48 116.071 -171.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 502' ' ' THR . . . . . . . . . . . . . 72.2 p -66.39 -38.71 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.657 -0.417 . . . . 53.04 110.504 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 503' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.03 -43.06 86.55 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.524 -0.471 . . . . 79.16 110.919 167.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 504' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.29 -47.66 85.07 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.251 0.344 . . . . 45.29 110.221 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 505' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.39 -43.2 96.85 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 119.829 -0.748 . . . . 44.94 112.018 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 506' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.45 -46.22 89.37 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 123.402 0.439 . . . . 78.43 110.116 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.23 -45.48 79.94 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.207 0.317 . . . . 62.51 110.576 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 508' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -56.25 -45.59 79.96 Favored 'General case' 0 C--O 1.256 1.409 0 C-N-CA 120.085 -0.646 . . . . 51.13 112.506 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 509' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.04 -48.41 76.05 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.145 0.903 . . . . 45.45 111.889 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.63 -61.74 2.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 119.269 -0.973 . . . . 54.68 109.539 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 511' ' ' ARG . . . . . 0.517 ' NH1' ' O ' ' D' 1301 ' ' HOH . 20.8 mtp85 -41.42 -49.84 3.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.758 1.223 . . . . 50.09 113.072 176.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 512' ' ' SER . . . . . . . . . . . . . 5.5 p -61.8 -46.26 90.3 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.316 1.228 . . . . 59.93 114.316 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 513' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.29 -37.62 86.21 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.948 -0.47 . . . . 84.35 111.067 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 514' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.9 -46.91 85.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.344 -0.542 . . . . 98.12 112.26 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 515' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.61 -46.43 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 118.936 -1.105 . . . . 62.66 110.268 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 516' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 -40.35 95.1 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.555 -0.716 . . . . 64.24 112.739 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 517' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.15 -28.99 67.77 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 119.562 -0.256 . . . . 72.26 111.454 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 518' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -70.63 -40.46 73.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.499 0.72 . . . . 106.56 111.583 171.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 519' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.63 -56.24 24.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.34 -0.544 . . . . 59.47 109.655 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 520' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -53.79 -47.66 70.59 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.866 1.432 . . . . 58.54 114.866 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.42 -49.27 55.21 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.851 -0.531 . . . . 74.62 111.645 169.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 522' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -70.7 -53.49 15.47 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.452 0.47 . . . . 88.94 109.747 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 523' ' ' ILE . . . . . 0.493 HG13 HG11 ' B' 1218 ' ' VAL . 0.0 OUTLIER -53.85 -39.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.734 -0.786 . . . . 85.05 112.261 176.856 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -42.62 79.22 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 119.312 -0.375 . . . . 86.01 111.628 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 525' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.48 -48.58 76.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.527 0.603 . . . . 105.99 109.98 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 526' ' ' LEU . . . . . 0.561 HD13 ' HB1' ' D' 1217 ' ' ALA . 4.1 mt -74.86 -16.49 60.68 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 113.273 0.842 . . . . 89.91 113.273 -177.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 527' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -73.52 -21.98 60.24 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.693 0.627 . . . . 99.61 112.693 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -88.88 -44.79 10.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.986 0.914 . . . . 104.13 112.527 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 529' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -55.99 -26.4 48.28 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 120.972 -0.291 . . . . 90.15 111.579 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 530' ' ' SER . . . . . 0.456 ' O ' HG23 ' D' ' 534' ' ' VAL . 5.5 p -79.36 -39.28 33.02 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.375 1.25 . . . . 83.45 114.375 173.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 531' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.13 -37.47 46.29 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.89 -0.506 . . . . 90.46 112.07 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 532' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -52.45 25.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.296 0.638 . . . . 91.16 112.126 -178.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 533' ' ' THR . . . . . . . . . . . . . 23.3 m -63.59 -35.15 79.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.761 0.652 . . . . 81.32 112.761 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 534' ' ' VAL . . . . . 0.456 HG23 ' O ' ' D' ' 530' ' ' SER . 72.3 t -64.57 -44.11 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 108.311 -0.996 . . . . 76.54 108.311 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 535' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -68.83 -23.86 64.31 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 123.944 0.777 . . . . 112.75 113.086 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 536' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -67.36 -48.92 66.05 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.18 -0.674 . . . . 78.27 109.18 167.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 537' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' B' 1207 ' ' LEU . 86.1 t80 -60.33 -26.56 66.66 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.116 1.895 . . . . 92.67 116.116 -179.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 538' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-N 119.63 1.105 . . . . 93.43 110.469 172.224 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1203 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.206 -0.665 . . . . 82.56 109.206 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1204 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.8 -37.85 85.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.322 -0.399 . . . . 96.49 110.222 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.04 95.64 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.937 -1.265 . . . . 87.79 109.937 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1206 ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.57 82.59 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 114.084 1.142 . . . . 67.69 114.084 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 17.1 tp -71.04 -39.45 72.29 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 112.488 0.551 . . . . 60.92 112.488 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.31 -42.37 96.38 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.891 -0.506 . . . . 76.92 111.634 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.08 -42.37 90.24 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.716 0.635 . . . . 84.5 111.598 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1210 ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.27 -53.0 62.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.493 0.496 . . . . 68.52 110.512 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1211 ' ' ARG . . . . . 0.472 ' NE ' ' OG ' ' B' ' 530' ' ' SER . 54.3 ttt-85 -56.11 -41.65 75.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.273 0.358 . . . . 67.62 111.016 179.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.43 76.32 Favored Glycine 0 C--O 1.22 -0.765 0 O-C-N 124.348 1.03 . . . . 62.6 114.363 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -76.6 -36.41 57.53 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.101 0.95 . . . . 72.65 112.02 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1214 ' ' TYR . . . . . 0.442 ' O ' HG23 ' D' 1218 ' ' VAL . 21.2 m-30 -63.84 -32.61 74.18 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.848 0.684 . . . . 76.02 112.848 173.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.66 -58.47 4.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.458 -2.423 . . . . 52.6 104.458 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -50.18 -33.67 19.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.018 1.488 . . . . 82.74 115.018 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1217 ' ' ALA . . . . . 0.561 ' HB1' HD13 ' D' ' 526' ' ' LEU . . . -64.64 -48.7 73.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 120.894 0.378 . . . . 59.78 110.021 176.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1218 ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' 1214 ' ' TYR . 42.3 t -72.11 -22.35 21.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.251 0 CA-C-N 114.823 -1.08 . . . . 50.11 111.609 -175.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.99 -33.48 59.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.383 0.538 . . . . 58.94 111.03 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -69.57 -39.86 77.12 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.258 0.466 . . . . 85.06 112.258 170.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 29.4 mm -54.44 -61.06 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 108.556 -0.905 . . . . 55.98 108.556 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 28.5 tttt -49.64 -49.7 46.08 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.423 0.556 . . . . 56.62 111.216 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -39.75 67.36 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 114.647 1.351 . . . . 75.22 114.647 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1224 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.57 -42.81 91.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 123.275 0.36 . . . . 64.38 111.635 173.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1225 ' ' MET . . . . . 0.476 ' O ' HD12 ' D' 1229 ' ' ILE . 25.5 mmt -69.41 -31.6 70.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.421 0.897 . . . . 63.04 113.421 -178.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1226 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' B' ' 516' ' ' LEU . 2.6 mt -60.34 -43.66 96.24 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.333 0.864 . . . . 46.86 113.333 172.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -62.53 -40.76 97.81 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.947 -0.57 . . . . 71.02 111.836 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.21 -50.66 72.78 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.674 0.62 . . . . 50.58 112.674 173.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1229 ' ' ILE . . . . . 0.476 HD12 ' O ' ' D' 1225 ' ' MET . 1.3 mp -60.14 -45.12 96.28 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 N-CA-C 113.671 0.989 . . . . 47.08 113.671 173.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -54.89 -50.14 69.47 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.108 -0.637 . . . . 41.68 112.247 173.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -59.79 -35.36 74.51 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 115.635 1.717 . . . . 66.61 115.635 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 3.5 m -52.13 -46.62 65.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.342 1.428 . . . . 51.58 112.024 164.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.41 -43.28 91.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.104 -1.039 . . . . 38.21 110.658 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.43 -47.44 85.48 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.802 -0.814 . . . . 53.37 108.802 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1235 ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -55.91 -40.56 73.23 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 112.726 0.639 . . . . 60.84 112.726 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.32 74.3 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 124.062 0.851 . . . . 44.29 110.245 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.8 92.95 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.636 -1.165 . . . . 42.72 110.05 176.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.79 -33.66 66.89 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.453 0.908 . . . . 60.76 113.453 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 66.1 mtm -77.67 -24.19 49.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 115.032 1.493 . . . . 70.42 115.032 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 41.7 t -62.21 -42.77 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 119.551 -0.86 . . . . 50.08 109.971 162.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 42.5 tttm -61.2 -45.64 93.77 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.821 -0.751 . . . . 59.39 112.302 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.81 74.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.828 0.677 . . . . 49.02 112.828 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.5 -32.4 73.85 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.363 -0.606 . . . . 56.43 109.363 172.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 48.8 t -74.58 -50.3 27.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 109.309 -0.626 . . . . 51.18 109.309 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.56 -24.39 46.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.543 0.942 . . . . 70.75 113.543 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 34.7 mtm-85 -80.1 -8.25 59.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.395 0.998 . . . . 69.57 112.472 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -78.58 -14.71 59.2 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.613 -0.708 . . . . 66.69 112.639 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -57.2 -71.96 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.419 0.526 . . . . 85.18 112.419 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.369 -0.604 . . . . 116.49 109.369 -178.576 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1308 ' ' HOH . . . . . 0.869 ' O ' ' SD ' ' C' ' 501' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1308 ' ' HOH . . . . . 0.429 ' O ' ' HB3' ' B' ' 514' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1308 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1309 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1310 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1311 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1301 ' ' HOH . . . . . 0.517 ' O ' ' NH1' ' D' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_