data_6ae1_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 6ae1 _Structure_validation_residue.Date_analyzed 2019-01-18 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 ' 1' ' ' MSE . . . . . . . . . . . . . 8.5 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 98.33 111.245 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -100.99 125.16 47.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.367 -0.605 . . . . 75.9 109.367 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -66.17 -41.6 90.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.464 -0.495 . . . . 96.2 111.391 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.31 75.15 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.344 -0.542 . . . . 57.16 111.505 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 124' ' ' TYR . 19.9 t-160 -67.31 -47.27 71.06 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.757 -0.377 . . . . 59.69 111.079 177.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -65.13 -36.14 83.33 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.316 -0.554 . . . . 69.25 111.213 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.81 -51.17 76.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.16 0.505 . . . . 58.93 110.256 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.12 -44.43 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 122.037 -0.414 . . . . 49.56 110.587 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -60.65 -42.36 96.84 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.093 -0.379 . . . . 72.51 111.401 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -69.5 -5.11 21.93 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.937 0.717 . . . . 66.8 112.937 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -112.58 26.55 10.43 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 118.658 0.663 . . . . 59.35 112.015 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.44 123.22 63.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.726 -1.212 . . . . 71.91 107.726 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 93.62 111.204 -179.844 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.709 0.29 . . . . 77.26 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 tp -136.45 118.84 15.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.562 -0.903 . . . . 62.89 108.562 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.36 39.46 24.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.469 0.652 . . . . 54.68 111.044 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 57.67 53.06 7.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.71 0.767 . . . . 77.64 111.543 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.3 41.84 6.83 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.745 -0.662 . . . . 60.52 114.271 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.9 128.02 42.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.971 -0.381 . . . . 55.44 109.971 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.0 p -115.29 158.93 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.776 -0.824 . . . . 54.17 108.776 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -65.74 -27.36 68.26 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.608 -0.837 . . . . 60.09 111.667 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 p -64.19 -23.26 67.25 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.207 -0.597 . . . . 62.9 112.281 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.26 -12.85 60.0 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.133 0.79 . . . . 62.61 113.133 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.95 3.66 30.98 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.186 0.81 . . . . 43.71 113.186 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -62.71 -37.34 86.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.479 0.581 . . . . 75.9 111.699 -172.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.76 -41.99 92.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.138 -0.625 . . . . 60.58 111.124 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.96 -35.68 74.67 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.347 -0.541 . . . . 46.71 111.208 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' MSE . . . . . . . . . . . . . 23.6 mtm -63.64 -41.75 98.21 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.252 -0.28 . . . . 69.71 111.598 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.18 -40.15 93.86 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.028 -0.669 . . . . 72.98 111.3 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -72.59 -35.06 67.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.961 -0.696 . . . . 80.96 111.349 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.08 -44.79 80.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.578 -0.449 . . . . 57.45 110.516 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.12 -34.18 77.46 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.892 -0.505 . . . . 70.12 111.755 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -68.13 -42.77 79.67 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.126 -0.629 . . . . 103.94 111.231 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.66 -30.21 64.08 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.284 -0.566 . . . . 67.89 111.594 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -64.43 -37.77 88.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.589 -0.444 . . . . 95.99 111.128 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -71.07 -41.14 71.1 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.409 -0.516 . . . . 80.83 111.245 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.9 -39.31 84.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.982 0.42 . . . . 82.15 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.41 61.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.204 -0.599 . . . . 89.02 111.418 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.95 -25.32 67.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.469 0.544 . . . . 105.92 112.469 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -103.06 34.46 2.87 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.195 0.452 . . . . 108.81 112.198 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -118.66 168.42 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.562 0.745 . . . . 126.04 109.24 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -95.37 -78.88 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.706 -0.679 . . . . 145.07 112.154 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.62 145.15 54.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.202 0.525 . . . . 138.57 111.189 -171.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.95 -29.45 69.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.698 -0.683 . . . . 115.16 111.53 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -69.18 107.02 3.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.147 -0.686 . . . . 103.96 109.147 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.39 139.39 55.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.093 0.473 . . . . 89.62 110.378 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.86 160.5 20.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.849 0.833 . . . . 95.48 110.776 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.17 -30.06 70.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.234 -0.894 . . . . 114.88 111.862 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.37 -32.61 70.35 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.174 -0.611 . . . . 100.24 111.504 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -71.15 -36.24 71.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.292 -0.563 . . . . 81.52 111.495 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.31 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.378 -0.529 . . . . 80.78 110.154 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.19 -35.23 71.3 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.98 -0.45 . . . . 97.62 111.145 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.13 -36.9 80.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.386 -0.525 . . . . 91.81 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.36 -40.38 93.5 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.473 -0.491 . . . . 62.72 111.178 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.6 -36.05 82.52 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.323 -0.551 . . . . 78.01 110.994 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.77 -36.23 75.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.964 -0.694 . . . . 74.99 111.035 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.56 -38.67 85.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.209 -0.597 . . . . 48.78 110.87 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.46 -39.8 94.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.587 -0.445 . . . . 62.17 111.104 175.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.73 -40.84 88.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.919 0.39 . . . . 54.34 110.405 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -63.74 -39.34 94.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.599 -0.44 . . . . 68.7 111.251 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -56.42 -49.37 74.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.775 -0.37 . . . . 55.76 110.901 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.57 -33.74 74.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.42 -0.512 . . . . 49.06 111.731 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.65 -47.05 70.66 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.399 -0.521 . . . . 51.79 110.933 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -68.77 -32.66 72.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.374 -0.531 . . . . 54.03 111.644 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.71 90.34 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.423 -0.511 . . . . 43.03 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.43 -22.01 79.15 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.33 -0.938 . . . . 54.0 113.726 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -84.22 -36.2 22.92 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 117.611 0.706 . . . . 75.49 111.535 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -127.15 122.74 34.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.845 -0.798 . . . . 70.0 108.845 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -37.45 87.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.369 -0.532 . . . . 79.81 111.267 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.2 p -65.61 -34.84 79.16 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.619 -0.432 . . . . 52.89 111.386 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.35 -35.08 65.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.144 0.497 . . . . 44.21 110.483 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.29 -42.06 99.03 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.092 -0.643 . . . . 50.73 110.837 174.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' A' ' 88' ' ' LYS . 2.7 tp10 -67.2 -40.61 86.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.578 -0.449 . . . . 67.01 111.148 177.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.73 -48.1 83.3 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.8 0.333 . . . . 43.78 111.086 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.64 -27.76 66.29 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.31 -0.556 . . . . 41.03 112.021 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -80.45 -46.99 14.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.596 -0.442 . . . . 59.46 111.464 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' NZ ' ' OE2' ' A' ' 84' ' ' GLU . 8.1 mmmm -67.36 -27.67 67.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.325 -0.55 . . . . 59.12 111.925 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 56.0 p -90.22 -1.11 57.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.068 0.766 . . . . 39.63 113.068 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.2 mt 62.9 26.19 15.43 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.49 0.716 . . . . 43.9 112.183 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' MSE . . . . . . . . . . . . . 94.8 mmm -63.04 -34.55 77.81 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.766 -0.584 . . . . 67.18 110.651 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.19 -53.95 29.17 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.406 -0.807 . . . . 49.37 112.446 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.9 -29.55 27.95 Favored 'Trans proline' 0 C--O 1.237 0.468 0 CA-C-N 121.172 1.454 . . . . 50.25 113.584 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.77 -33.7 26.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.725 -0.79 . . . . 46.46 111.561 -173.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 tp -64.32 -31.43 53.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 119.406 -0.917 . . . . 53.05 110.483 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.88 -31.1 72.16 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.122 -0.631 . . . . 67.17 111.29 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -78.65 -37.44 41.99 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.902 -0.319 . . . . 78.01 111.337 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.82 -43.06 91.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.21 0.529 . . . . 57.72 110.349 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.98 -40.39 87.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.945 -0.472 . . . . 65.7 110.474 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -66.94 -42.68 84.91 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.849 -0.532 . . . . 91.27 111.406 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.69 -26.47 66.2 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.211 -0.596 . . . . 90.46 111.864 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 53.62 37.31 25.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.557 0.694 . . . . 89.86 110.954 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 137.96 54.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.94 -0.573 . . . . 76.39 110.881 -165.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.66 -39.07 46.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.696 . . . . 89.01 111.829 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -58.71 -40.46 83.75 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.443 -0.503 . . . . 101.21 111.062 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.53 -38.49 68.04 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.842 -0.343 . . . . 66.03 111.414 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.45 -35.4 77.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.44 -0.504 . . . . 59.67 111.367 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.65 -40.09 80.39 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.081 -0.648 . . . . 74.76 111.214 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.52 -32.35 72.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.291 -0.564 . . . . 79.86 111.169 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.37 -40.16 93.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.01 -0.276 . . . . 52.54 111.198 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.47 -42.16 79.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.634 -0.426 . . . . 53.38 111.428 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.77 -40.12 94.06 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.338 -0.545 . . . . 77.29 110.986 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.92 -45.07 96.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.776 -0.37 . . . . 46.68 110.825 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.82 -42.33 95.06 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.694 -0.402 . . . . 44.34 111.379 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.96 -37.85 88.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.475 -0.49 . . . . 69.39 111.248 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.49 79.8 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.377 -0.529 . . . . 41.68 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.35 -46.0 89.84 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.796 -0.361 . . . . 37.7 111.137 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.28 -37.46 79.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 43.2 110.484 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.25 96.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.471 -0.492 . . . . 47.55 111.277 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -69.67 -33.19 72.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.993 -0.683 . . . . 53.64 111.445 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.26 96.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.246 -0.582 . . . . 46.43 111.011 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.66 -36.69 85.07 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.608 -0.437 . . . . 58.99 111.168 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.17 -47.42 65.01 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.755 -0.378 . . . . 72.71 111.259 -179.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 5' ' ' HIS . 54.1 m-85 -80.78 -2.81 48.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.951 0.723 . . . . 64.68 112.951 179.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 118.192 0.451 . . . . 73.38 111.838 -179.423 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 21.1 ttm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.231 0.539 . . . . 90.9 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -116.13 130.52 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.107 -1.071 . . . . 72.57 108.107 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.29 -24.92 54.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.753 0.649 . . . . 87.5 112.753 -167.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.64 87.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.903 -0.719 . . . . 54.39 110.965 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . 0.663 ' NE2' ' OH ' ' B' ' 124' ' ' TYR . 20.2 t-160 -63.66 -47.95 79.16 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.885 0.374 . . . . 57.5 110.887 174.871 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.71 -38.0 89.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.612 -0.435 . . . . 57.91 111.353 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 t -59.77 -50.62 79.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.225 0.536 . . . . 53.24 110.238 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.21 -43.85 91.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.059 -0.401 . . . . 50.03 110.597 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -62.65 -41.38 99.01 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.973 -0.455 . . . . 71.73 111.359 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.6 p -69.33 -4.85 19.85 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.905 0.705 . . . . 63.06 112.905 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -113.49 25.17 11.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.525 0.602 . . . . 58.85 111.909 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -108.34 125.58 65.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.021 -1.103 . . . . 71.22 108.021 174.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 87.27 111.074 -179.652 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.874 -0.417 . . . . 74.68 109.874 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -132.04 110.14 10.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.159 -1.052 . . . . 61.89 108.159 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 50.58 34.32 9.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.059 0.456 . . . . 57.38 111.22 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 58.07 57.28 4.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 122.046 0.927 . . . . 79.59 111.217 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.89 24.69 12.63 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.778 1.071 . . . . 59.4 115.778 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.6 tp -87.64 130.54 34.74 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.394 1.097 . . . . 55.93 110.343 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 21.3 p -121.14 155.99 33.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.485 -0.931 . . . . 53.95 108.485 168.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -65.3 -23.42 67.02 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.868 -0.733 . . . . 58.64 112.306 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -65.28 -22.64 66.87 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.278 -0.569 . . . . 61.93 112.148 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.58 -6.21 57.94 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.051 0.76 . . . . 57.75 113.051 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.9 mt -108.7 6.38 25.67 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.633 0.605 . . . . 48.26 112.633 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -65.16 -39.43 92.94 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.461 -0.495 . . . . 71.1 111.711 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -59.9 -40.76 89.89 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.025 -0.67 . . . . 58.2 111.076 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.59 -35.24 70.46 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.323 -0.551 . . . . 56.73 111.225 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' MSE . . . . . . . . . . . . . 45.2 mtm -65.67 -40.79 92.77 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.209 -0.307 . . . . 71.07 111.55 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.88 -41.15 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.134 -0.627 . . . . 70.64 111.097 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.65 -37.09 70.87 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.218 -0.593 . . . . 75.72 111.173 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -66.91 -42.44 88.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 120.475 -0.49 . . . . 54.28 110.53 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.33 -35.4 80.73 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.875 -0.515 . . . . 66.04 111.419 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -67.98 -43.51 78.8 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.355 -0.538 . . . . 88.28 111.23 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.33 -31.46 67.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.31 -0.556 . . . . 68.14 111.694 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.49 -39.98 85.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.359 -0.536 . . . . 100.54 111.175 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -43.98 88.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.444 -0.503 . . . . 74.26 111.196 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.59 -36.03 73.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 79.47 110.305 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.59 59.93 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.863 -0.523 . . . . 87.07 111.258 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.73 -35.13 70.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.385 -0.526 . . . . 114.2 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.85 8.26 35.76 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.03 0.752 . . . . 108.84 113.03 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -72.37 170.87 13.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.103 0.954 . . . . 131.9 110.715 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -84.57 -79.22 0.22 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.147 -0.933 . . . . 147.07 111.379 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -106.61 154.88 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.6 0.76 . . . . 135.66 109.877 -175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -50.83 -29.81 12.69 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.494 -0.776 . . . . 112.98 112.298 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -67.71 107.74 2.68 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.252 -0.647 . . . . 97.4 109.252 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.62 131.58 46.31 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.96 -0.385 . . . . 86.05 109.96 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -67.72 156.94 35.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.762 0.791 . . . . 97.36 110.422 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.36 -25.44 67.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.393 -0.821 . . . . 122.43 112.236 -172.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -74.62 -19.42 60.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.867 -0.733 . . . . 115.77 112.091 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -80.94 -32.19 34.68 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.09 0.404 . . . . 80.95 111.894 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -42.17 94.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.656 -0.418 . . . . 72.89 110.194 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.04 -35.48 71.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.559 -0.457 . . . . 100.01 111.131 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.01 -38.88 83.13 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.328 -0.549 . . . . 93.94 111.044 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.96 -34.43 78.4 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.576 -0.45 . . . . 64.97 111.638 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -72.86 -31.36 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.129 -0.628 . . . . 87.06 111.369 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.15 -31.9 70.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.682 . . . . 72.76 111.227 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.35 -40.93 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.392 -0.523 . . . . 51.01 110.819 172.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -63.3 -38.83 92.69 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.607 -0.437 . . . . 55.8 111.081 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -41.24 89.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.983 0.421 . . . . 52.77 110.422 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -63.79 -38.84 92.61 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.531 -0.468 . . . . 72.78 111.225 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -56.83 -51.6 68.37 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.874 -0.33 . . . . 55.18 111.031 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -65.94 -35.21 79.98 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 48.47 111.292 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.96 -50.05 67.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.71 -0.396 . . . . 47.7 110.965 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 55.92 111.671 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.35 90.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.245 -0.582 . . . . 43.41 111.136 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.43 76.35 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.439 -0.886 . . . . 52.03 113.735 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -81.71 -32.72 31.51 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.591 0.696 . . . . 71.52 112.244 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -131.54 120.32 22.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.221 -0.659 . . . . 67.64 109.221 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -60.21 -42.52 95.32 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.521 0.513 . . . . 71.16 111.114 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -33.96 77.0 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.524 -0.47 . . . . 57.25 111.815 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.19 -38.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.499 -0.481 . . . . 44.42 110.374 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . 0.548 ' OD1' ' NZ ' ' B' ' 87' ' ' LYS . 43.2 t0 -59.97 -43.35 95.15 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.469 -0.492 . . . . 53.58 111.07 174.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.63 -39.22 91.23 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.787 -0.365 . . . . 67.65 111.224 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.56 -45.62 93.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.827 0.346 . . . . 44.69 110.996 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.31 -33.06 71.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.379 -0.529 . . . . 40.65 111.999 -175.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LYS . . . . . 0.548 ' NZ ' ' OD1' ' B' ' 83' ' ' ASP . 5.0 mttp -73.79 -52.0 14.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.521 -0.471 . . . . 64.4 111.323 -178.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.48 -17.1 60.82 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.986 0.735 . . . . 66.69 112.986 -173.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.2 p -91.82 -1.32 57.41 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.614 0.598 . . . . 40.34 112.614 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 mt 63.22 26.95 15.4 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.708 0.803 . . . . 41.18 112.167 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' MSE . . . . . . . . . . . . . 91.7 mmm -64.78 -33.0 74.94 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.81 -0.556 . . . . 67.33 110.554 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.42 -52.1 29.86 Favored Pre-proline 0 C--O 1.242 0.691 0 CA-C-O 118.54 -0.743 . . . . 51.04 112.63 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -71.49 -29.74 16.08 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.304 1.501 . . . . 48.6 113.467 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.86 -34.65 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.002 -0.679 . . . . 45.65 111.227 -174.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.1 -31.95 54.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 119.583 -0.847 . . . . 51.83 110.624 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.84 -35.72 81.47 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.167 -0.613 . . . . 65.25 111.129 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.53 -32.5 62.48 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.14 -0.624 . . . . 85.1 111.497 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.84 -40.4 85.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 120.451 -0.5 . . . . 56.75 110.188 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.78 -39.11 77.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.004 -0.435 . . . . 70.61 110.727 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -69.92 -44.86 68.79 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.74 -0.6 . . . . 100.22 111.239 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -64.07 -29.48 70.62 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.284 -0.566 . . . . 91.8 111.767 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 53.38 33.15 15.15 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.18 0.514 . . . . 95.73 111.152 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.2 t -106.75 132.49 52.67 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.138 0.575 . . . . 75.79 110.006 -171.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.02 -44.14 73.35 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.135 -0.484 . . . . 90.5 111.387 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -66.07 -36.46 83.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.315 -0.554 . . . . 100.78 111.297 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -64.97 -41.95 94.99 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.389 -0.525 . . . . 65.15 111.017 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -67.73 -33.76 75.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.604 -0.439 . . . . 59.09 111.659 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.4 -42.81 82.69 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.054 -0.659 . . . . 70.95 111.09 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.95 -32.79 71.12 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.303 -0.559 . . . . 75.39 111.237 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -64.37 -42.4 96.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.97 -0.292 . . . . 51.63 111.191 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' CYS . . . . . . . . . . . . . 95.1 m -66.85 -41.88 86.65 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.721 -0.392 . . . . 52.43 111.416 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -63.98 -37.96 89.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.146 -0.622 . . . . 73.11 111.109 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.81 -47.27 85.84 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.451 -0.499 . . . . 44.48 110.857 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -40.8 98.05 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.731 -0.388 . . . . 47.06 111.298 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.51 -38.34 90.77 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.401 -0.52 . . . . 69.89 111.337 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.89 77.14 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.327 -0.549 . . . . 42.24 111.249 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.3 -45.93 89.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.893 0.378 . . . . 38.26 111.031 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.0 -41.85 87.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.559 -0.456 . . . . 45.44 110.513 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.19 93.91 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.997 -0.44 . . . . 46.18 111.301 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.32 -33.44 69.66 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.881 -0.728 . . . . 53.33 111.536 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.95 92.68 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.176 -0.61 . . . . 49.26 111.144 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -64.67 -35.37 80.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.769 -0.373 . . . . 56.53 111.171 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.68 -49.43 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.166 -0.334 . . . . 71.75 111.35 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' TYR . . . . . 0.663 ' OH ' ' NE2' ' B' ' 5' ' ' HIS . 66.5 m-85 -80.46 -0.52 37.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.027 0.751 . . . . 64.33 113.027 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 118.221 0.464 . . . . 70.1 111.757 -179.229 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 8.5 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 98.33 111.245 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -100.99 125.16 47.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.367 -0.605 . . . . 75.9 109.367 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -66.17 -41.6 90.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.464 -0.495 . . . . 96.2 111.391 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.31 75.15 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.344 -0.542 . . . . 57.16 111.505 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -67.31 -47.27 71.06 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.757 -0.377 . . . . 59.69 111.079 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -65.13 -36.14 83.33 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.316 -0.554 . . . . 69.25 111.213 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.81 -51.17 76.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.16 0.505 . . . . 58.93 110.256 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.12 -44.43 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 122.037 -0.414 . . . . 49.56 110.587 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -60.65 -42.36 96.84 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.093 -0.379 . . . . 72.51 111.401 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -69.5 -5.11 21.93 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.937 0.717 . . . . 66.8 112.937 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -112.58 26.55 10.43 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 118.658 0.663 . . . . 59.35 112.015 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 26' ' ' LEU . 6.2 t -108.44 123.22 63.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.726 -1.212 . . . . 71.91 107.726 173.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 93.62 111.204 -179.844 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.709 0.29 . . . . 77.26 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 12' ' ' VAL . 24.5 tp -136.45 118.84 15.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.562 -0.903 . . . . 62.89 108.562 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.36 39.46 24.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.469 0.652 . . . . 54.68 111.044 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 57.67 53.06 7.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.71 0.767 . . . . 77.64 111.543 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.3 41.84 6.83 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.745 -0.662 . . . . 60.52 114.271 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.9 128.02 42.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.971 -0.381 . . . . 55.44 109.971 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.0 p -115.29 158.93 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.776 -0.824 . . . . 54.17 108.776 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -65.74 -27.36 68.26 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.608 -0.837 . . . . 60.09 111.667 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 p -64.19 -23.26 67.25 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.207 -0.597 . . . . 62.9 112.281 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.26 -12.85 60.0 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.133 0.79 . . . . 62.61 113.133 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' HE2' ' A' ' 39' ' ' MSE . 56.6 mt -104.95 3.66 30.98 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.186 0.81 . . . . 43.71 113.186 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 87.8 mtt180 -62.71 -37.34 86.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.479 0.581 . . . . 75.9 111.699 -172.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.76 -41.99 92.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.138 -0.625 . . . . 60.58 111.124 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.96 -35.68 74.67 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.347 -0.541 . . . . 46.71 111.208 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' MSE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 23.6 mtm -63.64 -41.75 98.21 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.252 -0.28 . . . . 69.71 111.598 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 70.5 mm-40 -65.18 -40.15 93.86 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.028 -0.669 . . . . 72.98 111.3 179.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -72.59 -35.06 67.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.961 -0.696 . . . . 80.96 111.349 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.08 -44.79 80.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.578 -0.449 . . . . 57.45 110.516 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.12 -34.18 77.46 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.892 -0.505 . . . . 70.12 111.755 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -68.13 -42.77 79.67 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.126 -0.629 . . . . 103.94 111.231 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.66 -30.21 64.08 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.284 -0.566 . . . . 67.89 111.594 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -64.43 -37.77 88.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.589 -0.444 . . . . 95.99 111.128 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -71.07 -41.14 71.1 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.409 -0.516 . . . . 80.83 111.245 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.9 -39.31 84.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.982 0.42 . . . . 82.15 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.41 61.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.204 -0.599 . . . . 89.02 111.418 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.95 -25.32 67.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.469 0.544 . . . . 105.92 112.469 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -103.06 34.46 2.87 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.195 0.452 . . . . 108.81 112.198 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -118.66 168.42 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.562 0.745 . . . . 126.04 109.24 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -95.37 -78.88 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.706 -0.679 . . . . 145.07 112.154 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' HG3' ' H ' ' A' ' 56' ' ' GLN . 22.3 tp10 -68.62 145.15 54.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.202 0.525 . . . . 138.57 111.189 -171.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 104' ' ' LYS . 34.7 t70 -60.95 -29.45 69.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.698 -0.683 . . . . 115.16 111.53 175.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . 0.654 ' H ' ' HG3' ' A' ' 54' ' ' GLU . 51.7 tp60 -69.18 107.02 3.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.147 -0.686 . . . . 103.96 109.147 176.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.39 139.39 55.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.093 0.473 . . . . 89.62 110.378 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.86 160.5 20.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.849 0.833 . . . . 95.48 110.776 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.17 -30.06 70.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.234 -0.894 . . . . 114.88 111.862 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.37 -32.61 70.35 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.174 -0.611 . . . . 100.24 111.504 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -71.15 -36.24 71.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.292 -0.563 . . . . 81.52 111.495 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.31 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.378 -0.529 . . . . 80.78 110.154 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.19 -35.23 71.3 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.98 -0.45 . . . . 97.62 111.145 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.13 -36.9 80.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.386 -0.525 . . . . 91.81 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.36 -40.38 93.5 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.473 -0.491 . . . . 62.72 111.178 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.6 -36.05 82.52 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.323 -0.551 . . . . 78.01 110.994 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.77 -36.23 75.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.964 -0.694 . . . . 74.99 111.035 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.56 -38.67 85.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.209 -0.597 . . . . 48.78 110.87 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.46 -39.8 94.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.587 -0.445 . . . . 62.17 111.104 175.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.73 -40.84 88.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.919 0.39 . . . . 54.34 110.405 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -63.74 -39.34 94.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.599 -0.44 . . . . 68.7 111.251 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -56.42 -49.37 74.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.775 -0.37 . . . . 55.76 110.901 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.57 -33.74 74.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.42 -0.512 . . . . 49.06 111.731 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.65 -47.05 70.66 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.399 -0.521 . . . . 51.79 110.933 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -68.77 -32.66 72.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.374 -0.531 . . . . 54.03 111.644 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.71 90.34 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.423 -0.511 . . . . 43.03 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.43 -22.01 79.15 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.33 -0.938 . . . . 54.0 113.726 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -84.22 -36.2 22.92 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 117.611 0.706 . . . . 75.49 111.535 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -127.15 122.74 34.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.845 -0.798 . . . . 70.0 108.845 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -37.45 87.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.369 -0.532 . . . . 79.81 111.267 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.2 p -65.61 -34.84 79.16 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.619 -0.432 . . . . 52.89 111.386 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.35 -35.08 65.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.144 0.497 . . . . 44.21 110.483 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.29 -42.06 99.03 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.092 -0.643 . . . . 50.73 110.837 174.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 88' ' ' LYS . 2.7 tp10 -67.2 -40.61 86.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.578 -0.449 . . . . 67.01 111.148 177.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.73 -48.1 83.3 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.8 0.333 . . . . 43.78 111.086 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.64 -27.76 66.29 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.31 -0.556 . . . . 41.03 112.021 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -80.45 -46.99 14.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.596 -0.442 . . . . 59.46 111.464 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 84' ' ' GLU . 8.1 mmmm -67.36 -27.67 67.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.325 -0.55 . . . . 59.12 111.925 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 56.0 p -90.22 -1.11 57.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.068 0.766 . . . . 39.63 113.068 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.2 mt 62.9 26.19 15.43 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.49 0.716 . . . . 43.9 112.183 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' MSE . . . . . . . . . . . . . 94.8 mmm -63.04 -34.55 77.81 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.766 -0.584 . . . . 67.18 110.651 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.19 -53.95 29.17 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.406 -0.807 . . . . 49.37 112.446 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.9 -29.55 27.95 Favored 'Trans proline' 0 C--O 1.237 0.468 0 CA-C-N 121.172 1.454 . . . . 50.25 113.584 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.77 -33.7 26.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.725 -0.79 . . . . 46.46 111.561 -173.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 tp -64.32 -31.43 53.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 119.406 -0.917 . . . . 53.05 110.483 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.88 -31.1 72.16 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.122 -0.631 . . . . 67.17 111.29 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -78.65 -37.44 41.99 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.902 -0.319 . . . . 78.01 111.337 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.82 -43.06 91.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.21 0.529 . . . . 57.72 110.349 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.98 -40.39 87.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.945 -0.472 . . . . 65.7 110.474 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -66.94 -42.68 84.91 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.849 -0.532 . . . . 91.27 111.406 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.69 -26.47 66.2 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.211 -0.596 . . . . 90.46 111.864 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 53.62 37.31 25.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.557 0.694 . . . . 89.86 110.954 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 137.96 54.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.94 -0.573 . . . . 76.39 110.881 -165.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 71.6 tttt -77.66 -39.07 46.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.696 . . . . 89.01 111.829 -177.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -58.71 -40.46 83.75 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.443 -0.503 . . . . 101.21 111.062 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.53 -38.49 68.04 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.842 -0.343 . . . . 66.03 111.414 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.45 -35.4 77.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.44 -0.504 . . . . 59.67 111.367 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.65 -40.09 80.39 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.081 -0.648 . . . . 74.76 111.214 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.52 -32.35 72.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.291 -0.564 . . . . 79.86 111.169 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.37 -40.16 93.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.01 -0.276 . . . . 52.54 111.198 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.47 -42.16 79.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.634 -0.426 . . . . 53.38 111.428 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.77 -40.12 94.06 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.338 -0.545 . . . . 77.29 110.986 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.92 -45.07 96.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.776 -0.37 . . . . 46.68 110.825 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.82 -42.33 95.06 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.694 -0.402 . . . . 44.34 111.379 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.96 -37.85 88.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.475 -0.49 . . . . 69.39 111.248 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.49 79.8 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.377 -0.529 . . . . 41.68 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.35 -46.0 89.84 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.796 -0.361 . . . . 37.7 111.137 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.28 -37.46 79.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 43.2 110.484 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.25 96.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.471 -0.492 . . . . 47.55 111.277 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -69.67 -33.19 72.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.993 -0.683 . . . . 53.64 111.445 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.26 96.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.246 -0.582 . . . . 46.43 111.011 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.66 -36.69 85.07 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.608 -0.437 . . . . 58.99 111.168 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.17 -47.42 65.01 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.755 -0.378 . . . . 72.71 111.259 -179.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -80.78 -2.81 48.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.951 0.723 . . . . 64.68 112.951 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 118.192 0.451 . . . . 73.38 111.838 -179.423 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 21.1 ttm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.231 0.539 . . . . 90.9 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -116.13 130.52 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.107 -1.071 . . . . 72.57 108.107 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.29 -24.92 54.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.753 0.649 . . . . 87.5 112.753 -167.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.64 87.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.903 -0.719 . . . . 54.39 110.965 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . 0.691 ' HE2' ' HH ' ' B' ' 124' ' ' TYR . 20.2 t-160 -63.66 -47.95 79.16 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.885 0.374 . . . . 57.5 110.887 174.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.71 -38.0 89.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.612 -0.435 . . . . 57.91 111.353 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 t -59.77 -50.62 79.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.225 0.536 . . . . 53.24 110.238 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.21 -43.85 91.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.059 -0.401 . . . . 50.03 110.597 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -62.65 -41.38 99.01 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.973 -0.455 . . . . 71.73 111.359 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.6 p -69.33 -4.85 19.85 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.905 0.705 . . . . 63.06 112.905 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -113.49 25.17 11.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.525 0.602 . . . . 58.85 111.909 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -108.34 125.58 65.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.021 -1.103 . . . . 71.22 108.021 174.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 87.27 111.074 -179.652 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.874 -0.417 . . . . 74.68 109.874 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -132.04 110.14 10.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.159 -1.052 . . . . 61.89 108.159 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 50.58 34.32 9.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.059 0.456 . . . . 57.38 111.22 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ASN . . . . . 0.555 HD22 ' NZ ' ' B' ' 80' ' ' LYS . 2.9 m-20 58.07 57.28 4.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 122.046 0.927 . . . . 79.59 111.217 179.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.89 24.69 12.63 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.778 1.071 . . . . 59.4 115.778 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.6 tp -87.64 130.54 34.74 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.394 1.097 . . . . 55.93 110.343 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 21.3 p -121.14 155.99 33.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.485 -0.931 . . . . 53.95 108.485 168.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -65.3 -23.42 67.02 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.868 -0.733 . . . . 58.64 112.306 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -65.28 -22.64 66.87 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.278 -0.569 . . . . 61.93 112.148 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.58 -6.21 57.94 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.051 0.76 . . . . 57.75 113.051 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.9 mt -108.7 6.38 25.67 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.633 0.605 . . . . 48.26 112.633 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HE3' ' B' ' 39' ' ' MSE . 93.6 mtt180 -65.16 -39.43 92.94 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.461 -0.495 . . . . 71.1 111.711 -171.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -59.9 -40.76 89.89 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.025 -0.67 . . . . 58.2 111.076 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.59 -35.24 70.46 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.323 -0.551 . . . . 56.73 111.225 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' MSE . . . . . 0.558 ' HE3' ' HA ' ' B' ' 36' ' ' ARG . 45.2 mtm -65.67 -40.79 92.77 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.209 -0.307 . . . . 71.07 111.55 179.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.88 -41.15 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.134 -0.627 . . . . 70.64 111.097 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.65 -37.09 70.87 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.218 -0.593 . . . . 75.72 111.173 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -66.91 -42.44 88.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 120.475 -0.49 . . . . 54.28 110.53 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.33 -35.4 80.73 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.875 -0.515 . . . . 66.04 111.419 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -67.98 -43.51 78.8 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.355 -0.538 . . . . 88.28 111.23 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.33 -31.46 67.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.31 -0.556 . . . . 68.14 111.694 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.49 -39.98 85.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.359 -0.536 . . . . 100.54 111.175 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -43.98 88.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.444 -0.503 . . . . 74.26 111.196 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.59 -36.03 73.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 79.47 110.305 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.59 59.93 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.863 -0.523 . . . . 87.07 111.258 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.73 -35.13 70.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.385 -0.526 . . . . 114.2 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.85 8.26 35.76 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.03 0.752 . . . . 108.84 113.03 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -72.37 170.87 13.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.103 0.954 . . . . 131.9 110.715 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -84.57 -79.22 0.22 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.147 -0.933 . . . . 147.07 111.379 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . 0.729 ' HG3' ' H ' ' B' ' 56' ' ' GLN . 19.7 tp10 -106.61 154.88 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.6 0.76 . . . . 135.66 109.877 -175.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' HA ' ' HB3' ' B' ' 104' ' ' LYS . 34.5 t70 -50.83 -29.81 12.69 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.494 -0.776 . . . . 112.98 112.298 177.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . 0.729 ' H ' ' HG3' ' B' ' 54' ' ' GLU . 54.5 tp60 -67.71 107.74 2.68 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.252 -0.647 . . . . 97.4 109.252 175.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.62 131.58 46.31 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.96 -0.385 . . . . 86.05 109.96 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 60' ' ' GLU . 9.5 p30 -67.72 156.94 35.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.762 0.791 . . . . 97.36 110.422 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.36 -25.44 67.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.393 -0.821 . . . . 122.43 112.236 -172.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 8.0 pm0 -74.62 -19.42 60.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.867 -0.733 . . . . 115.77 112.091 175.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -80.94 -32.19 34.68 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.09 0.404 . . . . 80.95 111.894 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -42.17 94.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.656 -0.418 . . . . 72.89 110.194 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.04 -35.48 71.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.559 -0.457 . . . . 100.01 111.131 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.01 -38.88 83.13 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.328 -0.549 . . . . 93.94 111.044 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.96 -34.43 78.4 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.576 -0.45 . . . . 64.97 111.638 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -72.86 -31.36 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.129 -0.628 . . . . 87.06 111.369 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.15 -31.9 70.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.682 . . . . 72.76 111.227 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.35 -40.93 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.392 -0.523 . . . . 51.01 110.819 172.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -63.3 -38.83 92.69 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.607 -0.437 . . . . 55.8 111.081 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -41.24 89.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.983 0.421 . . . . 52.77 110.422 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -63.79 -38.84 92.61 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.531 -0.468 . . . . 72.78 111.225 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -56.83 -51.6 68.37 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.874 -0.33 . . . . 55.18 111.031 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -65.94 -35.21 79.98 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 48.47 111.292 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.96 -50.05 67.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.71 -0.396 . . . . 47.7 110.965 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 55.92 111.671 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.35 90.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.245 -0.582 . . . . 43.41 111.136 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.43 76.35 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.439 -0.886 . . . . 52.03 113.735 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -81.71 -32.72 31.51 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.591 0.696 . . . . 71.52 112.244 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -131.54 120.32 22.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.221 -0.659 . . . . 67.64 109.221 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . 0.555 ' NZ ' HD22 ' B' ' 28' ' ' ASN . 6.3 tmtt? -60.21 -42.52 95.32 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.521 0.513 . . . . 71.16 111.114 -178.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -33.96 77.0 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.524 -0.47 . . . . 57.25 111.815 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.19 -38.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.499 -0.481 . . . . 44.42 110.374 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.97 -43.35 95.15 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.469 -0.492 . . . . 53.58 111.07 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.63 -39.22 91.23 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.787 -0.365 . . . . 67.65 111.224 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.56 -45.62 93.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.827 0.346 . . . . 44.69 110.996 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.31 -33.06 71.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.379 -0.529 . . . . 40.65 111.999 -175.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -73.79 -52.0 14.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.521 -0.471 . . . . 64.4 111.323 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.48 -17.1 60.82 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.986 0.735 . . . . 66.69 112.986 -173.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.2 p -91.82 -1.32 57.41 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.614 0.598 . . . . 40.34 112.614 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 mt 63.22 26.95 15.4 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.708 0.803 . . . . 41.18 112.167 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' MSE . . . . . . . . . . . . . 91.7 mmm -64.78 -33.0 74.94 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.81 -0.556 . . . . 67.33 110.554 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.42 -52.1 29.86 Favored Pre-proline 0 C--O 1.242 0.691 0 CA-C-O 118.54 -0.743 . . . . 51.04 112.63 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -71.49 -29.74 16.08 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.304 1.501 . . . . 48.6 113.467 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.86 -34.65 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.002 -0.679 . . . . 45.65 111.227 -174.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.1 -31.95 54.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 119.583 -0.847 . . . . 51.83 110.624 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.84 -35.72 81.47 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.167 -0.613 . . . . 65.25 111.129 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.53 -32.5 62.48 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.14 -0.624 . . . . 85.1 111.497 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.84 -40.4 85.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 120.451 -0.5 . . . . 56.75 110.188 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.78 -39.11 77.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.004 -0.435 . . . . 70.61 110.727 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -69.92 -44.86 68.79 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.74 -0.6 . . . . 100.22 111.239 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -64.07 -29.48 70.62 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.284 -0.566 . . . . 91.8 111.767 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 53.38 33.15 15.15 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.18 0.514 . . . . 95.73 111.152 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.2 t -106.75 132.49 52.67 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.138 0.575 . . . . 75.79 110.006 -171.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 10.0 tttt -69.02 -44.14 73.35 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.135 -0.484 . . . . 90.5 111.387 178.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -66.07 -36.46 83.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.315 -0.554 . . . . 100.78 111.297 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -64.97 -41.95 94.99 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.389 -0.525 . . . . 65.15 111.017 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -67.73 -33.76 75.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.604 -0.439 . . . . 59.09 111.659 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.4 -42.81 82.69 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.054 -0.659 . . . . 70.95 111.09 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.95 -32.79 71.12 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.303 -0.559 . . . . 75.39 111.237 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -64.37 -42.4 96.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.97 -0.292 . . . . 51.63 111.191 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' CYS . . . . . . . . . . . . . 95.1 m -66.85 -41.88 86.65 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.721 -0.392 . . . . 52.43 111.416 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -63.98 -37.96 89.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.146 -0.622 . . . . 73.11 111.109 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.81 -47.27 85.84 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.451 -0.499 . . . . 44.48 110.857 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -40.8 98.05 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.731 -0.388 . . . . 47.06 111.298 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.51 -38.34 90.77 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.401 -0.52 . . . . 69.89 111.337 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.89 77.14 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.327 -0.549 . . . . 42.24 111.249 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.3 -45.93 89.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.893 0.378 . . . . 38.26 111.031 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.0 -41.85 87.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.559 -0.456 . . . . 45.44 110.513 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.19 93.91 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.997 -0.44 . . . . 46.18 111.301 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' B' ' 5' ' ' HIS . 32.6 m-85 -71.32 -33.44 69.66 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.881 -0.728 . . . . 53.33 111.536 177.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.95 92.68 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.176 -0.61 . . . . 49.26 111.144 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -64.67 -35.37 80.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.769 -0.373 . . . . 56.53 111.171 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.68 -49.43 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.166 -0.334 . . . . 71.75 111.35 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' TYR . . . . . 0.691 ' HH ' ' HE2' ' B' ' 5' ' ' HIS . 66.5 m-85 -80.46 -0.52 37.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.027 0.751 . . . . 64.33 113.027 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 118.221 0.464 . . . . 70.1 111.757 -179.229 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 8.5 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 98.329999999999998 111.245 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -100.99 125.16 47.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.367 -0.605 . . . . 75.900000000000006 109.367 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -66.17 -41.6 90.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.464 -0.495 . . . . 96.200000000000003 111.391 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.31 75.15 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.344 -0.542 . . . . 57.159999999999997 111.505 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -67.31 -47.27 71.06 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.757 -0.377 . . . . 59.689999999999998 111.079 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -65.13 -36.14 83.33 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.316 -0.554 . . . . 69.25 111.213 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.81 -51.17 76.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.16 0.505 . . . . 58.93 110.256 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.12 -44.43 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 122.037 -0.414 . . . . 49.560000000000002 110.587 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -60.65 -42.36 96.84 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.093 -0.379 . . . . 72.510000000000005 111.401 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -69.5 -5.11 21.93 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.937 0.717 . . . . 66.799999999999997 112.937 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -112.58 26.55 10.43 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 118.658 0.663 . . . . 59.350000000000001 112.015 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 26' ' ' LEU . 6.2 t -108.44 123.22 63.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.726 -1.212 . . . . 71.909999999999997 107.726 173.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 93.620000000000005 111.204 -179.844 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.709 0.29 . . . . 77.260000000000005 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 12' ' ' VAL . 24.5 tp -136.45 118.84 15.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.562 -0.903 . . . . 62.890000000000001 108.562 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.36 39.46 24.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.469 0.652 . . . . 54.68 111.044 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 57.67 53.06 7.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.71 0.767 . . . . 77.640000000000001 111.543 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.3 41.84 6.83 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.745 -0.662 . . . . 60.520000000000003 114.271 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.9 128.02 42.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.971 -0.381 . . . . 55.439999999999998 109.971 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.0 p -115.29 158.93 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.776 -0.824 . . . . 54.170000000000002 108.776 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -65.74 -27.36 68.26 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.608 -0.837 . . . . 60.090000000000003 111.667 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 p -64.19 -23.26 67.25 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.207 -0.597 . . . . 62.899999999999999 112.281 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.26 -12.85 60.0 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.133 0.79 . . . . 62.609999999999999 113.133 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' HE2' ' A' ' 39' ' ' MSE . 56.6 mt -104.95 3.66 30.98 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.186 0.81 . . . . 43.710000000000001 113.186 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 87.8 mtt180 -62.71 -37.34 86.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.479 0.581 . . . . 75.900000000000006 111.699 -172.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.76 -41.99 92.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.138 -0.625 . . . . 60.579999999999998 111.124 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.96 -35.68 74.67 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.347 -0.541 . . . . 46.710000000000001 111.208 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' MSE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 23.6 mtm -63.64 -41.75 98.21 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.252 -0.28 . . . . 69.709999999999994 111.598 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 70.5 mm-40 -65.18 -40.15 93.86 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.028 -0.669 . . . . 72.980000000000004 111.3 179.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -72.59 -35.06 67.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.961 -0.696 . . . . 80.959999999999994 111.349 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.08 -44.79 80.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.578 -0.449 . . . . 57.450000000000003 110.516 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.12 -34.18 77.46 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.892 -0.505 . . . . 70.120000000000005 111.755 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -68.13 -42.77 79.67 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.126 -0.629 . . . . 103.94 111.231 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.66 -30.21 64.08 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.284 -0.566 . . . . 67.890000000000001 111.594 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -64.43 -37.77 88.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.589 -0.444 . . . . 95.989999999999995 111.128 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -71.07 -41.14 71.1 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.409 -0.516 . . . . 80.829999999999998 111.245 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.9 -39.31 84.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.982 0.42 . . . . 82.150000000000006 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.41 61.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.204 -0.599 . . . . 89.019999999999996 111.418 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.95 -25.32 67.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.469 0.544 . . . . 105.92 112.469 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -103.06 34.46 2.87 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.195 0.452 . . . . 108.81 112.198 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -118.66 168.42 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.562 0.745 . . . . 126.04000000000001 109.24 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -95.37 -78.88 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.706 -0.679 . . . . 145.06999999999999 112.154 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' HG3' ' H ' ' A' ' 56' ' ' GLN . 22.3 tp10 -68.62 145.15 54.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.202 0.525 . . . . 138.56999999999999 111.189 -171.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 104' ' ' LYS . 34.7 t70 -60.95 -29.45 69.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.698 -0.683 . . . . 115.16 111.53 175.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.654 ' H ' ' HG3' ' A' ' 54' ' ' GLU . 51.7 tp60 -69.18 107.02 3.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.147 -0.686 . . . . 103.95999999999999 109.147 176.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.39 139.39 55.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.093 0.473 . . . . 89.620000000000005 110.378 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.86 160.5 20.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.849 0.833 . . . . 95.480000000000004 110.776 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.17 -30.06 70.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.234 -0.894 . . . . 114.88 111.862 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.37 -32.61 70.35 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.174 -0.611 . . . . 100.23999999999999 111.504 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -71.15 -36.24 71.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.292 -0.563 . . . . 81.519999999999996 111.495 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.31 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.378 -0.529 . . . . 80.780000000000001 110.154 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.19 -35.23 71.3 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.98 -0.45 . . . . 97.620000000000005 111.145 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.13 -36.9 80.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.386 -0.525 . . . . 91.810000000000002 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.36 -40.38 93.5 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.473 -0.491 . . . . 62.719999999999999 111.178 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.6 -36.05 82.52 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.323 -0.551 . . . . 78.010000000000005 110.994 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.77 -36.23 75.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.964 -0.694 . . . . 74.989999999999995 111.035 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.56 -38.67 85.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.209 -0.597 . . . . 48.780000000000001 110.87 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.46 -39.8 94.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.587 -0.445 . . . . 62.170000000000002 111.104 175.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.73 -40.84 88.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.919 0.39 . . . . 54.340000000000003 110.405 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -63.74 -39.34 94.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.599 -0.44 . . . . 68.700000000000003 111.251 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -56.42 -49.37 74.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.775 -0.37 . . . . 55.759999999999998 110.901 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.57 -33.74 74.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.42 -0.512 . . . . 49.060000000000002 111.731 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.65 -47.05 70.66 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.399 -0.521 . . . . 51.789999999999999 110.933 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -68.77 -32.66 72.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.374 -0.531 . . . . 54.030000000000001 111.644 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.71 90.34 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.423 -0.511 . . . . 43.030000000000001 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.43 -22.01 79.15 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.33 -0.938 . . . . 54.0 113.726 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -84.22 -36.2 22.92 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 117.611 0.706 . . . . 75.489999999999995 111.535 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -127.15 122.74 34.99 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.845 -0.798 . . . . 70.0 108.845 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -37.45 87.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.369 -0.532 . . . . 79.810000000000002 111.267 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.2 p -65.61 -34.84 79.16 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.619 -0.432 . . . . 52.890000000000001 111.386 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.35 -35.08 65.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.144 0.497 . . . . 44.210000000000001 110.483 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.29 -42.06 99.03 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.092 -0.643 . . . . 50.729999999999997 110.837 174.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 88' ' ' LYS . 2.7 tp10 -67.2 -40.61 86.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.578 -0.449 . . . . 67.010000000000005 111.148 177.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.73 -48.1 83.3 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.8 0.333 . . . . 43.780000000000001 111.086 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.64 -27.76 66.29 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.31 -0.556 . . . . 41.030000000000001 112.021 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -80.45 -46.99 14.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.596 -0.442 . . . . 59.460000000000001 111.464 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 84' ' ' GLU . 8.1 mmmm -67.36 -27.67 67.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.325 -0.55 . . . . 59.119999999999997 111.925 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 56.0 p -90.22 -1.11 57.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.068 0.766 . . . . 39.630000000000003 113.068 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.2 mt 62.9 26.19 15.43 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.49 0.716 . . . . 43.899999999999999 112.183 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' MSE . . . . . . . . . . . . . 94.8 mmm -63.04 -34.55 77.81 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.766 -0.584 . . . . 67.180000000000007 110.651 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.19 -53.95 29.17 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.406 -0.807 . . . . 49.369999999999997 112.446 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.9 -29.55 27.95 Favored 'Trans proline' 0 C--O 1.237 0.468 0 CA-C-N 121.172 1.454 . . . . 50.25 113.584 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.77 -33.7 26.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.725 -0.79 . . . . 46.460000000000001 111.561 -173.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 tp -64.32 -31.43 53.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 119.406 -0.917 . . . . 53.049999999999997 110.483 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.88 -31.1 72.16 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.122 -0.631 . . . . 67.170000000000002 111.29 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -78.65 -37.44 41.99 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.902 -0.319 . . . . 78.010000000000005 111.337 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.82 -43.06 91.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.21 0.529 . . . . 57.719999999999999 110.349 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.98 -40.39 87.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.945 -0.472 . . . . 65.700000000000003 110.474 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -66.94 -42.68 84.91 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.849 -0.532 . . . . 91.269999999999996 111.406 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.69 -26.47 66.2 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.211 -0.596 . . . . 90.459999999999994 111.864 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 53.62 37.31 25.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.557 0.694 . . . . 89.859999999999999 110.954 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 137.96 54.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.94 -0.573 . . . . 76.390000000000001 110.881 -165.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 71.6 tttt -77.66 -39.07 46.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.696 . . . . 89.010000000000005 111.829 -177.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -58.71 -40.46 83.75 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.443 -0.503 . . . . 101.20999999999999 111.062 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.53 -38.49 68.04 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.842 -0.343 . . . . 66.030000000000001 111.414 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.45 -35.4 77.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.44 -0.504 . . . . 59.670000000000002 111.367 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.65 -40.09 80.39 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.081 -0.648 . . . . 74.760000000000005 111.214 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.52 -32.35 72.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.291 -0.564 . . . . 79.859999999999999 111.169 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.37 -40.16 93.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.01 -0.276 . . . . 52.539999999999999 111.198 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.47 -42.16 79.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.634 -0.426 . . . . 53.380000000000003 111.428 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.77 -40.12 94.06 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.338 -0.545 . . . . 77.290000000000006 110.986 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.92 -45.07 96.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.776 -0.37 . . . . 46.68 110.825 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.82 -42.33 95.06 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.694 -0.402 . . . . 44.340000000000003 111.379 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.96 -37.85 88.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.475 -0.49 . . . . 69.390000000000001 111.248 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.49 79.8 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.377 -0.529 . . . . 41.68 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.35 -46.0 89.84 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.796 -0.361 . . . . 37.700000000000003 111.137 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.28 -37.46 79.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 43.200000000000003 110.484 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.25 96.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.471 -0.492 . . . . 47.549999999999997 111.277 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -69.67 -33.19 72.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.993 -0.683 . . . . 53.640000000000001 111.445 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.26 96.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.246 -0.582 . . . . 46.43 111.011 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.66 -36.69 85.07 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.608 -0.437 . . . . 58.990000000000002 111.168 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.17 -47.42 65.01 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.755 -0.378 . . . . 72.709999999999994 111.259 -179.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -80.78 -2.81 48.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.951 0.723 . . . . 64.680000000000007 112.951 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 118.192 0.451 . . . . 73.379999999999995 111.838 -179.423 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 21.1 ttm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.231 0.539 . . . . 90.900000000000006 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -116.13 130.52 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.107 -1.071 . . . . 72.569999999999993 108.107 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.29 -24.92 54.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.753 0.649 . . . . 87.5 112.753 -167.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.64 87.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.903 -0.719 . . . . 54.390000000000001 110.965 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.691 ' HE2' ' HH ' ' B' ' 124' ' ' TYR . 20.2 t-160 -63.66 -47.95 79.16 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.885 0.374 . . . . 57.5 110.887 174.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.71 -38.0 89.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.612 -0.435 . . . . 57.909999999999997 111.353 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 t -59.77 -50.62 79.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.225 0.536 . . . . 53.240000000000002 110.238 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.21 -43.85 91.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.059 -0.401 . . . . 50.030000000000001 110.597 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -62.65 -41.38 99.01 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.973 -0.455 . . . . 71.730000000000004 111.359 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.6 p -69.33 -4.85 19.85 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.905 0.705 . . . . 63.060000000000002 112.905 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -113.49 25.17 11.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.525 0.602 . . . . 58.850000000000001 111.909 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -108.34 125.58 65.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.021 -1.103 . . . . 71.219999999999999 108.021 174.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 87.269999999999996 111.074 -179.652 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.874 -0.417 . . . . 74.680000000000007 109.874 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -132.04 110.14 10.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.159 -1.052 . . . . 61.890000000000001 108.159 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 50.58 34.32 9.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.059 0.456 . . . . 57.380000000000003 111.22 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.555 HD22 ' NZ ' ' B' ' 80' ' ' LYS . 2.9 m-20 58.07 57.28 4.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 122.046 0.927 . . . . 79.590000000000003 111.217 179.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.89 24.69 12.63 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.778 1.071 . . . . 59.399999999999999 115.778 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.6 tp -87.64 130.54 34.74 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.394 1.097 . . . . 55.93 110.343 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 21.3 p -121.14 155.99 33.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.485 -0.931 . . . . 53.950000000000003 108.485 168.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -65.3 -23.42 67.02 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.868 -0.733 . . . . 58.640000000000001 112.306 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -65.28 -22.64 66.87 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.278 -0.569 . . . . 61.93 112.148 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.58 -6.21 57.94 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.051 0.76 . . . . 57.75 113.051 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.9 mt -108.7 6.38 25.67 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.633 0.605 . . . . 48.259999999999998 112.633 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HE3' ' B' ' 39' ' ' MSE . 93.6 mtt180 -65.16 -39.43 92.94 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.461 -0.495 . . . . 71.099999999999994 111.711 -171.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -59.9 -40.76 89.89 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.025 -0.67 . . . . 58.200000000000003 111.076 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.59 -35.24 70.46 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.323 -0.551 . . . . 56.729999999999997 111.225 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' MSE . . . . . 0.558 ' HE3' ' HA ' ' B' ' 36' ' ' ARG . 45.2 mtm -65.67 -40.79 92.77 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.209 -0.307 . . . . 71.069999999999993 111.55 179.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.88 -41.15 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.134 -0.627 . . . . 70.640000000000001 111.097 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.65 -37.09 70.87 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.218 -0.593 . . . . 75.719999999999999 111.173 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -66.91 -42.44 88.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 120.475 -0.49 . . . . 54.280000000000001 110.53 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.33 -35.4 80.73 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.875 -0.515 . . . . 66.040000000000006 111.419 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -67.98 -43.51 78.8 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.355 -0.538 . . . . 88.280000000000001 111.23 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.33 -31.46 67.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.31 -0.556 . . . . 68.140000000000001 111.694 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.49 -39.98 85.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.359 -0.536 . . . . 100.54000000000001 111.175 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -43.98 88.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.444 -0.503 . . . . 74.260000000000005 111.196 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.59 -36.03 73.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 79.469999999999999 110.305 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.59 59.93 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.863 -0.523 . . . . 87.069999999999993 111.258 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.73 -35.13 70.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.385 -0.526 . . . . 114.2 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.85 8.26 35.76 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.03 0.752 . . . . 108.84 113.03 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -72.37 170.87 13.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.103 0.954 . . . . 131.90000000000001 110.715 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -84.57 -79.22 0.22 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.147 -0.933 . . . . 147.06999999999999 111.379 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.729 ' HG3' ' H ' ' B' ' 56' ' ' GLN . 19.7 tp10 -106.61 154.88 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.6 0.76 . . . . 135.66 109.877 -175.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' HA ' ' HB3' ' B' ' 104' ' ' LYS . 34.5 t70 -50.83 -29.81 12.69 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.494 -0.776 . . . . 112.98 112.298 177.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.729 ' H ' ' HG3' ' B' ' 54' ' ' GLU . 54.5 tp60 -67.71 107.74 2.68 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.252 -0.647 . . . . 97.400000000000006 109.252 175.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.62 131.58 46.31 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.96 -0.385 . . . . 86.049999999999997 109.96 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' B' ' 60' ' ' GLU . 9.5 p30 -67.72 156.94 35.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.762 0.791 . . . . 97.359999999999999 110.422 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.36 -25.44 67.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.393 -0.821 . . . . 122.43000000000001 112.236 -172.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.426 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 8.0 pm0 -74.62 -19.42 60.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.867 -0.733 . . . . 115.77 112.091 175.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -80.94 -32.19 34.68 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.09 0.404 . . . . 80.950000000000003 111.894 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -42.17 94.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.656 -0.418 . . . . 72.890000000000001 110.194 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.04 -35.48 71.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.559 -0.457 . . . . 100.01000000000001 111.131 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.01 -38.88 83.13 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.328 -0.549 . . . . 93.939999999999998 111.044 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.96 -34.43 78.4 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.576 -0.45 . . . . 64.969999999999999 111.638 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -72.86 -31.36 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.129 -0.628 . . . . 87.060000000000002 111.369 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.15 -31.9 70.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.682 . . . . 72.760000000000005 111.227 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.35 -40.93 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.392 -0.523 . . . . 51.009999999999998 110.819 172.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -63.3 -38.83 92.69 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.607 -0.437 . . . . 55.799999999999997 111.081 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -41.24 89.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.983 0.421 . . . . 52.770000000000003 110.422 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -63.79 -38.84 92.61 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.531 -0.468 . . . . 72.780000000000001 111.225 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -56.83 -51.6 68.37 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.874 -0.33 . . . . 55.18 111.031 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -65.94 -35.21 79.98 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 48.469999999999999 111.292 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.96 -50.05 67.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.71 -0.396 . . . . 47.700000000000003 110.965 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 55.920000000000002 111.671 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.35 90.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.245 -0.582 . . . . 43.409999999999997 111.136 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.43 76.35 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.439 -0.886 . . . . 52.030000000000001 113.735 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -81.71 -32.72 31.51 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.591 0.696 . . . . 71.519999999999996 112.244 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -131.54 120.32 22.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.221 -0.659 . . . . 67.640000000000001 109.221 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.555 ' NZ ' HD22 ' B' ' 28' ' ' ASN . 6.3 tmtt? -60.21 -42.52 95.32 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.521 0.513 . . . . 71.159999999999997 111.114 -178.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -33.96 77.0 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.524 -0.47 . . . . 57.25 111.815 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.19 -38.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.499 -0.481 . . . . 44.420000000000002 110.374 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.97 -43.35 95.15 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.469 -0.492 . . . . 53.579999999999998 111.07 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.63 -39.22 91.23 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.787 -0.365 . . . . 67.650000000000006 111.224 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.56 -45.62 93.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.827 0.346 . . . . 44.689999999999998 110.996 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.31 -33.06 71.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.379 -0.529 . . . . 40.649999999999999 111.999 -175.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -73.79 -52.0 14.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.521 -0.471 . . . . 64.400000000000006 111.323 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.48 -17.1 60.82 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.986 0.735 . . . . 66.689999999999998 112.986 -173.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.2 p -91.82 -1.32 57.41 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.614 0.598 . . . . 40.340000000000003 112.614 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 mt 63.22 26.95 15.4 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.708 0.803 . . . . 41.18 112.167 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' MSE . . . . . . . . . . . . . 91.7 mmm -64.78 -33.0 74.94 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.81 -0.556 . . . . 67.329999999999998 110.554 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.42 -52.1 29.86 Favored Pre-proline 0 C--O 1.242 0.691 0 CA-C-O 118.54 -0.743 . . . . 51.039999999999999 112.63 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -71.49 -29.74 16.08 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.304 1.501 . . . . 48.600000000000001 113.467 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.86 -34.65 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.002 -0.679 . . . . 45.649999999999999 111.227 -174.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.1 -31.95 54.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 119.583 -0.847 . . . . 51.829999999999998 110.624 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.84 -35.72 81.47 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.167 -0.613 . . . . 65.25 111.129 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.53 -32.5 62.48 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.14 -0.624 . . . . 85.099999999999994 111.497 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.84 -40.4 85.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 120.451 -0.5 . . . . 56.75 110.188 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.78 -39.11 77.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.004 -0.435 . . . . 70.609999999999999 110.727 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -69.92 -44.86 68.79 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.74 -0.6 . . . . 100.22 111.239 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -64.07 -29.48 70.62 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.284 -0.566 . . . . 91.799999999999997 111.767 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 53.38 33.15 15.15 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.18 0.514 . . . . 95.730000000000004 111.152 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.2 t -106.75 132.49 52.67 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.138 0.575 . . . . 75.790000000000006 110.006 -171.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 10.0 tttt -69.02 -44.14 73.35 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.135 -0.484 . . . . 90.5 111.387 178.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -66.07 -36.46 83.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.315 -0.554 . . . . 100.78 111.297 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -64.97 -41.95 94.99 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.389 -0.525 . . . . 65.150000000000006 111.017 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -67.73 -33.76 75.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.604 -0.439 . . . . 59.090000000000003 111.659 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.4 -42.81 82.69 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.054 -0.659 . . . . 70.950000000000003 111.09 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.95 -32.79 71.12 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.303 -0.559 . . . . 75.390000000000001 111.237 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -64.37 -42.4 96.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.97 -0.292 . . . . 51.630000000000003 111.191 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' CYS . . . . . . . . . . . . . 95.1 m -66.85 -41.88 86.65 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.721 -0.392 . . . . 52.43 111.416 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -63.98 -37.96 89.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.146 -0.622 . . . . 73.109999999999999 111.109 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.81 -47.27 85.84 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.451 -0.499 . . . . 44.479999999999997 110.857 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -40.8 98.05 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.731 -0.388 . . . . 47.060000000000002 111.298 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.51 -38.34 90.77 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.401 -0.52 . . . . 69.890000000000001 111.337 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.89 77.14 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.327 -0.549 . . . . 42.240000000000002 111.249 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.3 -45.93 89.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.893 0.378 . . . . 38.259999999999998 111.031 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.0 -41.85 87.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.559 -0.456 . . . . 45.439999999999998 110.513 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.19 93.91 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.997 -0.44 . . . . 46.18 111.301 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' B' ' 5' ' ' HIS . 32.6 m-85 -71.32 -33.44 69.66 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.881 -0.728 . . . . 53.329999999999998 111.536 177.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.95 92.68 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.176 -0.61 . . . . 49.259999999999998 111.144 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -64.67 -35.37 80.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.769 -0.373 . . . . 56.530000000000001 111.171 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.68 -49.43 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.166 -0.334 . . . . 71.75 111.35 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.691 ' HH ' ' HE2' ' B' ' 5' ' ' HIS . 66.5 m-85 -80.46 -0.52 37.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.027 0.751 . . . . 64.329999999999998 113.027 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 118.221 0.464 . . . . 70.099999999999994 111.757 -179.229 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_