data_4ia8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4ia8 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 112.923 0.712 . . . . 66.379999999999995 112.923 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -78.07 -29.36 49.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.993 1.108 . . . . 74.700000000000003 113.993 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.3 -55.89 5.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.989 -0.685 . . . . 65.069999999999993 112.324 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -32.5 74.13 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.57 -0.852 . . . . 46.700000000000003 111.181 -174.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 p -68.62 -27.65 66.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.863 -0.791 . . . . 38.270000000000003 108.863 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 119' ' ' HOH . 0.0 OUTLIER -84.56 -36.65 21.97 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 119.066 -1.054 . . . . 60.700000000000003 111.026 179.076 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.81 -49.61 82.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.381 -0.97 . . . . 20.219999999999999 108.381 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.48 -38.89 85.71 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 118.817 -1.153 . . . . 33.619999999999997 112.466 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -68.35 -43.65 77.02 Favored 'General case' 0 C--O 1.206 -1.192 0 N-CA-C 106.904 -1.517 . . . . 34.57 106.904 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.19 -37.93 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 118.235 -0.888 . . . . 18.16 112.644 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.51 -47.69 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.21 0 N-CA-C 107.389 -1.337 . . . . 17.920000000000002 107.389 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.36 -45.03 85.73 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 117.55 -1.66 . . . . 38.520000000000003 111.508 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -57.06 -48.23 79.06 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.863 -0.589 . . . . 44.350000000000001 110.425 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.96 -41.02 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 114.767 1.395 . . . . 17.899999999999999 114.767 174.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -60.8 -40.85 94.23 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 108.123 -1.066 . . . . 19.289999999999999 108.123 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.78 -31.24 59.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.375 0.879 . . . . 27.5 113.375 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' A' ' 109' ' ' HOH . 79.4 mt-10 -68.91 -23.18 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.673 0.62 . . . . 43.920000000000002 112.673 171.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 118' ' ' HOH . 29.2 mmtt -93.38 2.52 56.5 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 121.69 -0.631 . . . . 44.119999999999997 109.516 174.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.76 78.84 Favored Glycine 0 N--CA 1.47 0.909 0 N-CA-C 119.217 2.447 . . . . 25.0 119.217 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.2 mtp -102.89 144.66 30.91 Favored 'General case' 0 N--CA 1.414 -2.245 0 CA-C-O 121.702 0.763 . . . . 39.689999999999998 113.049 -171.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -84.45 168.96 15.01 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.246 -2.252 . . . . 20.84 110.632 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -68.21 -40.08 82.23 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 118.681 -1.208 . . . . 25.82 108.67 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.49 -48.45 77.12 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 124.193 0.933 . . . . 42.340000000000003 110.398 175.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.53 -45.07 89.62 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.876 0.735 . . . . 57.600000000000001 110.154 -179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.15 -38.79 91.7 Favored 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.77 1.026 . . . . 24.289999999999999 113.77 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.33 84.63 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 114.227 -1.351 . . . . 28.140000000000001 109.286 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -72.24 -39.58 68.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.689 -1.596 . . . . 41.82 111.842 -175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 59' ' ' GLY . 35.2 mtpt -77.0 -15.3 59.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 116.316 1.969 . . . . 43.509999999999998 116.316 174.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -106.39 -5.17 19.19 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 118.722 0.692 . . . . 28.850000000000001 112.839 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 t30 64.81 23.61 12.7 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.807 0.692 . . . . 39.549999999999997 112.553 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.47 145.53 46.22 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.027 -1.472 . . . . 30.260000000000002 107.027 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' OD2' ' OG1' ' A' ' 36' ' ' THR . 7.4 p-10 -59.76 157.38 12.2 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 117.195 -1.802 . . . . 41.020000000000003 113.493 -175.108 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -60.34 -39.85 88.56 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.097 -1.441 . . . . 66.849999999999994 111.581 -175.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . 0.573 ' OG1' ' OD2' ' A' ' 34' ' ' ASP . 67.3 p -62.81 -41.16 99.18 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 108.161 -1.052 . . . . 48.299999999999997 108.161 -177.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.13 67.21 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.344 1.238 . . . . 27.809999999999999 114.344 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.1 mm -57.26 -49.41 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 120.408 -0.517 . . . . 23.25 110.939 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -60.83 -38.38 85.27 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 124.522 1.139 . . . . 30.859999999999999 110.392 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -42.61 99.66 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.745 -1.116 . . . . 28.82 111.288 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.5 mt -74.91 -29.94 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.389 -1.337 . . . . 41.289999999999999 107.389 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -80.08 -18.03 51.06 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 105.447 -2.057 . . . . 32.049999999999997 105.447 -172.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -91.72 -29.95 16.54 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.939 1.088 . . . . 57.090000000000003 113.939 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -162.27 116.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.69 0.256 . . . . 56.399999999999999 111.69 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -94.98 13.6 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 116.029 1.863 . . . . 50.380000000000003 116.029 -174.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -50.51 -51.21 49.51 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 112.882 0.697 . . . . 68.230000000000004 112.882 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.32 13.31 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 115.927 1.825 . . . . 54.380000000000003 115.927 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.81 129.23 39.34 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 119.319 -0.952 . . . . 33.090000000000003 109.31 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -84.97 163.32 18.99 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 119.339 0.972 . . . . 24.559999999999999 111.4 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mm -62.07 -39.18 82.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.693 -0.685 . . . . 21.559999999999999 112.31 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -60.85 -48.16 83.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 123.251 1.5 . . . . 62.670000000000002 112.647 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 m -58.64 -38.89 79.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.951 1.834 . . . . 21.390000000000001 115.951 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.33 -37.39 86.94 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 108.67 -0.863 . . . . 20.84 108.67 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.72 -43.68 97.56 Favored 'General case' 0 CA--C 1.567 1.608 0 O-C-N 121.17 -0.956 . . . . 37.469999999999999 112.15 173.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.96 -43.35 95.08 Favored 'General case' 0 C--O 1.267 1.995 0 N-CA-C 108.394 -0.965 . . . . 30.989999999999998 108.394 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.04 -45.47 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.253 0 N-CA-C 114.308 1.225 . . . . 18.989999999999998 114.308 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mtm -49.66 -56.76 8.92 Favored 'General case' 0 C--O 1.256 1.438 0 C-N-CA 118.249 -1.38 . . . . 19.989999999999998 112.779 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.24 -37.06 71.73 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 119.83 -0.748 . . . . 41.740000000000002 112.482 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.83 -35.74 54.0 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 121.397 -0.43 . . . . 25.219999999999999 113.664 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 mt -70.55 -10.2 58.65 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 117.982 0.891 . . . . 24.48 112.341 168.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 51.43 52.86 13.89 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.365 1.246 . . . . 63.07 114.365 -166.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.53 138.66 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 103.065 -2.939 . . . . 28.420000000000002 103.065 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.2 p -72.87 153.78 40.88 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.36 -1.348 . . . . 23.870000000000001 107.36 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -57.84 -42.96 85.48 Favored 'General case' 0 CA--C 1.491 -1.294 0 CA-C-N 116.414 -0.357 . . . . 40.68 111.496 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.58 -45.36 90.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 O-C-N 125.145 1.528 . . . . 21.829999999999998 109.785 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.76 -51.49 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 CA-C-O 121.368 0.604 . . . . 31.780000000000001 111.972 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -46.88 -55.88 7.27 Favored 'General case' 0 C--O 1.265 1.9 0 CA-C-N 114.482 -1.235 . . . . 18.989999999999998 113.519 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -60.76 -33.26 72.68 Favored 'General case' 0 C--O 1.254 1.33 0 C-N-CA 118.826 -1.15 . . . . 29.530000000000001 113.844 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.57 -33.93 64.89 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 118.475 -1.29 . . . . 28.059999999999999 109.522 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.4 mtt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 116.3 -2.16 . . . . 32.299999999999997 112.189 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.89 -45.32 89.86 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.956 1.41 . . . . 17.27 108.306 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.3 -45.27 98.68 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 O-C-N 120.493 -1.379 . . . . 22.34 113.093 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -57.22 -44.77 84.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 121.454 -0.779 . . . . 41.009999999999998 109.792 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -63.57 -48.3 77.99 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.623 1.202 . . . . 46.869999999999997 111.323 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.43 -46.73 92.48 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 C-N-CA 118.329 -1.349 . . . . 29.32 112.732 175.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.63 -39.62 84.64 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 119.665 -0.814 . . . . 27.66 112.762 -174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -81.59 -23.77 36.89 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.963 -0.562 . . . . 47.869999999999997 110.685 -173.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -124.32 -3.13 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 115.869 1.803 . . . . 47.07 115.869 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 t0 . . . . . 0 N--CA 1.464 0.259 0 C-N-CA 119.543 -0.863 . . . . 76.090000000000003 111.917 173.748 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 121.005 0.431 . . . . 57.979999999999997 111.805 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.21 -50.67 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.395 1.257 . . . . 52.090000000000003 114.395 -164.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.15 -52.24 65.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.001 -0.68 . . . . 33.969999999999999 110.184 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.0 tp -62.04 -33.22 73.97 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 53.420000000000002 111.084 -172.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 28.4 p -70.0 -30.78 68.18 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 123.482 0.489 . . . . 48.100000000000001 112.235 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.743 ' NZ ' ' O ' ' B' ' 220' ' ' HOH . 4.9 mmpt? -80.27 -32.56 38.22 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.306 1.051 . . . . 56.07 113.084 174.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -48.6 82.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.759 -1.2 . . . . 19.379999999999999 107.759 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -42.39 95.02 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.24 0.83 . . . . 31.550000000000001 113.24 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -57.89 -44.79 86.96 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.428 1.27 . . . . 44.549999999999997 114.428 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.22 -38.65 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 122.088 -0.382 . . . . 21.469999999999999 111.723 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.12 -46.37 91.98 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 CA-C-O 122.906 1.336 . . . . 18.370000000000001 112.092 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.14 -44.08 76.86 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.725 -1.58 . . . . 39.770000000000003 108.695 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -58.02 -50.22 74.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.149 0.905 . . . . 45.030000000000001 111.954 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -46.11 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 119.925 -0.71 . . . . 19.510000000000002 110.626 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.06 -45.83 61.49 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 114.12 1.156 . . . . 22.609999999999999 114.12 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.76 -40.99 63.08 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.15 1.38 . . . . 30.870000000000001 112.096 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -52.25 -38.81 59.22 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.444 1.116 . . . . 48.490000000000002 112.168 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 213' ' ' HOH . 34.2 mmtt -80.65 -6.71 58.74 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 112.903 0.705 . . . . 39.259999999999998 112.903 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.49 34.21 88.54 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.11 -1.043 . . . . 28.420000000000002 114.912 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -102.34 142.06 34.16 Favored 'General case' 0 C--O 1.189 -2.125 0 O-C-N 122.176 -0.602 . . . . 38.670000000000002 112.04 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -78.59 165.26 23.89 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.836 -0.346 . . . . 20.890000000000001 111.451 171.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -61.92 -40.87 96.97 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.93 -0.577 . . . . 21.75 110.915 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.72 -43.25 85.16 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 124.119 0.968 . . . . 49.020000000000003 111.18 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -64.49 -44.36 91.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.773 0.797 . . . . 55.57 110.94 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.26 -40.55 86.23 Favored 'General case' 0 CA--C 1.491 -1.304 0 C-N-CA 119.119 -1.032 . . . . 23.440000000000001 108.839 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.93 84.43 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-O 122.245 1.022 . . . . 28.600000000000001 110.348 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -65.85 -47.05 76.26 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 113.95 -1.477 . . . . 52.490000000000002 109.736 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -72.83 -18.02 61.49 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.29 0.994 . . . . 51.32 113.334 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.9 m -104.62 -3.87 23.24 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 113.763 1.024 . . . . 29.73 113.763 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.36 20.42 8.65 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 114.908 1.447 . . . . 34.090000000000003 114.908 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.21 139.56 53.22 Favored 'General case' 0 CA--C 1.491 -1.311 0 N-CA-C 107.871 -1.159 . . . . 33.109999999999999 107.871 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.24 154.13 6.22 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.176 0.923 . . . . 48.399999999999999 110.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -65.31 -37.11 86.13 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 119.112 -1.035 . . . . 44.539999999999999 109.142 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.0 p -55.55 -45.34 77.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.468 0.651 . . . . 44.009999999999998 112.276 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.33 63.98 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 116.714 2.116 . . . . 25.07 116.714 168.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.79 -42.01 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 O-C-N 121.163 -0.961 . . . . 24.739999999999998 108.885 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -66.19 -41.42 90.27 Favored 'General case' 0 C--O 1.267 1.982 0 CA-C-N 114.964 -1.016 . . . . 38.259999999999998 109.493 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.92 97.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-O 118.422 -1.21 . . . . 25.93 112.644 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -62.97 -41.96 94.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 118.267 1.034 . . . . 28.789999999999999 109.059 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -73.02 -21.75 60.77 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 118.201 -1.399 . . . . 36.020000000000003 111.193 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -95.76 7.34 46.57 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.523 -0.917 . . . . 63.700000000000003 108.523 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 64.99 2.3 1.73 Allowed 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.436 0.902 . . . . 52.329999999999998 113.436 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -87.52 23.51 1.9 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.767 0.427 . . . . 62.950000000000003 112.0 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -162.96 126.47 2.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.716 1.006 . . . . 67.909999999999997 113.716 -174.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -69.14 -177.33 1.05 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.856 -0.794 . . . . 48.579999999999998 108.856 172.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 38.7 tp -159.34 138.51 11.22 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 104.925 -2.25 . . . . 36.549999999999997 104.925 -170.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -91.65 166.34 12.85 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.527 -0.916 . . . . 24.530000000000001 108.527 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.8 -39.64 85.38 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.233 0 N-CA-C 107.993 -1.114 . . . . 24.809999999999999 107.993 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -62.08 -40.16 94.9 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 118.888 -1.125 . . . . 49.329999999999998 111.187 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -43.02 95.92 Favored 'General case' 0 CA--C 1.479 -1.762 0 N-CA-C 113.836 1.05 . . . . 20.960000000000001 113.836 172.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -64.99 -38.53 91.25 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.299 1.047 . . . . 20.789999999999999 109.642 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.97 -48.37 78.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 118.374 -1.33 . . . . 46.939999999999998 113.387 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.05 -38.73 91.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.929 0.871 . . . . 27.27 108.677 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.81 -42.36 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.442 0 N-CA-C 116.24 1.941 . . . . 25.710000000000001 116.24 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 27.9 mtm -52.22 -55.19 22.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 119.333 -0.947 . . . . 18.190000000000001 111.541 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -56.83 -42.27 79.33 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.743 -0.383 . . . . 40.210000000000001 111.269 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.9 -36.48 86.68 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.991 -0.844 . . . . 31.48 110.991 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.43 -12.35 60.48 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-N 118.4 1.1 . . . . 30.780000000000001 113.594 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 56.11 44.47 25.19 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 121.561 -0.712 . . . . 51.810000000000002 111.994 -172.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.84 146.15 27.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.846 -0.798 . . . . 31.32 108.846 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -70.35 152.97 43.53 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.151 0.907 . . . . 27.489999999999998 110.419 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.45 -39.62 88.19 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 119.939 -0.704 . . . . 38.390000000000001 112.016 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.9 -48.92 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 O-C-N 124.809 1.318 . . . . 23.670000000000002 111.183 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.95 -47.57 92.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.816 0 C-N-CA 118.927 -1.109 . . . . 25.670000000000002 111.594 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -47.98 -53.9 14.6 Favored 'General case' 0 C--O 1.292 3.313 0 N-CA-C 115.706 1.743 . . . . 16.420000000000002 115.706 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.7 -31.37 71.28 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 122.811 1.291 . . . . 30.68 112.789 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.02 -36.95 78.33 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.284 -0.966 . . . . 31.309999999999999 110.165 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.26 -36.62 79.7 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 117.284 -1.766 . . . . 35.030000000000001 110.329 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.89 -45.07 83.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.658 -1.238 . . . . 19.34 107.658 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.1 mt -58.37 -51.5 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 N-CA-C 113.956 1.095 . . . . 20.309999999999999 113.956 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -49.2 -48.6 45.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.974 0.361 . . . . 51.369999999999997 111.974 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -59.36 -45.94 90.02 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 114.458 1.281 . . . . 47.340000000000003 114.458 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.32 -46.57 86.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 108.385 -0.969 . . . . 30.190000000000001 108.385 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.41 -44.83 93.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.479 2.029 . . . . 29.539999999999999 116.479 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.4 -22.86 32.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.032 -0.729 . . . . 63.090000000000003 109.032 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -134.05 2.51 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.211 -0.996 . . . . 66.019999999999996 113.031 -167.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 115.503 1.668 . . . . 80.260000000000005 115.503 172.756 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . 0.477 ' O ' ' OE2' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . 0.553 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . 0.429 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . 0.539 ' O ' ' NZ ' ' B' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . 0.743 ' O ' ' NZ ' ' B' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 112.923 0.712 . . . . 66.379999999999995 112.923 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -78.07 -29.36 49.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.993 1.108 . . . . 74.700000000000003 113.993 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.3 -55.89 5.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.989 -0.685 . . . . 65.069999999999993 112.324 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -64.35 -32.5 74.13 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.57 -0.852 . . . . 46.700000000000003 111.181 -174.243 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 p -68.62 -27.65 66.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.863 -0.791 . . . . 38.270000000000003 108.863 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -36.65 21.97 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 119.066 -1.054 . . . . 60.700000000000003 111.026 179.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.81 -49.61 82.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.381 -0.97 . . . . 20.219999999999999 108.381 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.407 ' OG ' ' HB3' ' A' ' 45' ' ' SER . 1.7 m -60.48 -38.89 85.71 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 118.817 -1.153 . . . . 33.619999999999997 112.466 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -68.35 -43.65 77.02 Favored 'General case' 0 C--O 1.206 -1.192 0 N-CA-C 106.904 -1.517 . . . . 34.57 106.904 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.19 -37.93 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 118.235 -0.888 . . . . 18.16 112.644 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.51 -47.69 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.21 0 N-CA-C 107.389 -1.337 . . . . 17.920000000000002 107.389 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.36 -45.03 85.73 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 117.55 -1.66 . . . . 38.520000000000003 111.508 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -57.06 -48.23 79.06 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.863 -0.589 . . . . 44.350000000000001 110.425 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.96 -41.02 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 114.767 1.395 . . . . 17.899999999999999 114.767 174.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -60.8 -40.85 94.23 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 108.123 -1.066 . . . . 19.289999999999999 108.123 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.78 -31.24 59.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.375 0.879 . . . . 27.5 113.375 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' A' ' 109' ' ' HOH . 79.4 mt-10 -68.91 -23.18 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.673 0.62 . . . . 43.920000000000002 112.673 171.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 118' ' ' HOH . 29.2 mmtt -93.38 2.52 56.5 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 121.69 -0.631 . . . . 44.119999999999997 109.516 174.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.76 78.84 Favored Glycine 0 N--CA 1.47 0.909 0 N-CA-C 119.217 2.447 . . . . 25.0 119.217 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.2 mtp -102.89 144.66 30.91 Favored 'General case' 0 N--CA 1.414 -2.245 0 CA-C-O 121.702 0.763 . . . . 39.689999999999998 113.049 -171.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -84.45 168.96 15.01 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.246 -2.252 . . . . 20.84 110.632 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -68.21 -40.08 82.23 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 118.681 -1.208 . . . . 25.82 108.67 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.49 -48.45 77.12 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 124.193 0.933 . . . . 42.340000000000003 110.398 175.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.53 -45.07 89.62 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.876 0.735 . . . . 57.600000000000001 110.154 -179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.15 -38.79 91.7 Favored 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.77 1.026 . . . . 24.289999999999999 113.77 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.33 84.63 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 114.227 -1.351 . . . . 28.140000000000001 109.286 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -72.24 -39.58 68.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.689 -1.596 . . . . 41.82 111.842 -175.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -77.0 -15.3 59.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 116.316 1.969 . . . . 43.509999999999998 116.316 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -106.39 -5.17 19.19 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 118.722 0.692 . . . . 28.850000000000001 112.839 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 t30 64.81 23.61 12.7 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.807 0.692 . . . . 39.549999999999997 112.553 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.47 145.53 46.22 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.027 -1.472 . . . . 30.260000000000002 107.027 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . 0.516 ' OD2' ' OG1' ' A' ' 36' ' ' THR . 7.4 p-10 -59.76 157.38 12.2 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 117.195 -1.802 . . . . 41.020000000000003 113.493 -175.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -60.34 -39.85 88.56 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.097 -1.441 . . . . 66.849999999999994 111.581 -175.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . 0.516 ' OG1' ' OD2' ' A' ' 34' ' ' ASP . 67.3 p -62.81 -41.16 99.18 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 108.161 -1.052 . . . . 48.299999999999997 108.161 -177.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.13 67.21 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.344 1.238 . . . . 27.809999999999999 114.344 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.1 mm -57.26 -49.41 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 120.408 -0.517 . . . . 23.25 110.939 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -60.83 -38.38 85.27 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 124.522 1.139 . . . . 30.859999999999999 110.392 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -42.61 99.66 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.745 -1.116 . . . . 28.82 111.288 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.5 mt -74.91 -29.94 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.389 -1.337 . . . . 41.289999999999999 107.389 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -80.08 -18.03 51.06 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 105.447 -2.057 . . . . 32.049999999999997 105.447 -172.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -91.72 -29.95 16.54 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.939 1.088 . . . . 57.090000000000003 113.939 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -162.27 116.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.69 0.256 . . . . 56.399999999999999 111.69 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 1.2 p -94.98 13.6 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 116.029 1.863 . . . . 50.380000000000003 116.029 -174.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 10.0 ptm180 -50.51 -51.21 49.51 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 112.882 0.697 . . . . 68.230000000000004 112.882 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.32 13.31 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 115.927 1.825 . . . . 54.380000000000003 115.927 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.81 129.23 39.34 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 119.319 -0.952 . . . . 33.090000000000003 109.31 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -84.97 163.32 18.99 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 119.339 0.972 . . . . 24.559999999999999 111.4 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mm -62.07 -39.18 82.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.693 -0.685 . . . . 21.559999999999999 112.31 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -60.85 -48.16 83.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 123.251 1.5 . . . . 62.670000000000002 112.647 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 m -58.64 -38.89 79.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.951 1.834 . . . . 21.390000000000001 115.951 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.33 -37.39 86.94 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 108.67 -0.863 . . . . 20.84 108.67 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.72 -43.68 97.56 Favored 'General case' 0 CA--C 1.567 1.608 0 O-C-N 121.17 -0.956 . . . . 37.469999999999999 112.15 173.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.96 -43.35 95.08 Favored 'General case' 0 C--O 1.267 1.995 0 N-CA-C 108.394 -0.965 . . . . 30.989999999999998 108.394 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.04 -45.47 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.253 0 N-CA-C 114.308 1.225 . . . . 18.989999999999998 114.308 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mtm -49.66 -56.76 8.92 Favored 'General case' 0 C--O 1.256 1.438 0 C-N-CA 118.249 -1.38 . . . . 21.210000000000001 112.779 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.24 -37.06 71.73 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 119.83 -0.748 . . . . 41.740000000000002 112.482 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.83 -35.74 54.0 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 121.397 -0.43 . . . . 25.219999999999999 113.664 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 mt -70.55 -10.2 58.65 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 117.982 0.891 . . . . 24.48 112.341 168.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 51.43 52.86 13.89 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.365 1.246 . . . . 63.07 114.365 -166.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.53 138.66 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 103.065 -2.939 . . . . 28.420000000000002 103.065 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.2 p -72.87 153.78 40.88 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.36 -1.348 . . . . 23.870000000000001 107.36 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -57.84 -42.96 85.48 Favored 'General case' 0 CA--C 1.491 -1.294 0 CA-C-N 116.414 -0.357 . . . . 40.68 111.496 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.58 -45.36 90.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 O-C-N 125.145 1.528 . . . . 21.829999999999998 109.785 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.76 -51.49 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 CA-C-O 121.368 0.604 . . . . 31.780000000000001 111.972 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -46.88 -55.88 7.27 Favored 'General case' 0 C--O 1.265 1.9 0 CA-C-N 114.482 -1.235 . . . . 18.989999999999998 113.519 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -60.76 -33.26 72.68 Favored 'General case' 0 C--O 1.254 1.33 0 C-N-CA 118.826 -1.15 . . . . 29.530000000000001 113.844 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.57 -33.93 64.89 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 118.475 -1.29 . . . . 28.059999999999999 109.522 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.4 mtt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 116.3 -2.16 . . . . 32.299999999999997 112.189 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.89 -45.32 89.86 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.956 1.41 . . . . 17.27 108.306 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.3 -45.27 98.68 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 O-C-N 120.493 -1.379 . . . . 22.34 113.093 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -57.22 -44.77 84.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 121.454 -0.779 . . . . 41.009999999999998 109.792 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -63.57 -48.3 77.99 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.623 1.202 . . . . 46.869999999999997 111.323 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.43 -46.73 92.48 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 C-N-CA 118.329 -1.349 . . . . 29.32 112.732 175.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.63 -39.62 84.64 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 119.665 -0.814 . . . . 27.66 112.762 -174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -81.59 -23.77 36.89 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.963 -0.562 . . . . 47.869999999999997 110.685 -173.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -124.32 -3.13 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 115.869 1.803 . . . . 47.07 115.869 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 t0 . . . . . 0 N--CA 1.464 0.259 0 C-N-CA 119.543 -0.863 . . . . 76.090000000000003 111.917 173.748 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 121.005 0.431 . . . . 57.979999999999997 111.805 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.21 -50.67 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.395 1.257 . . . . 52.090000000000003 114.395 -164.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.15 -52.24 65.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.001 -0.68 . . . . 33.969999999999999 110.184 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.0 tp -62.04 -33.22 73.97 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 53.420000000000002 111.084 -172.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . 0.441 ' HA ' ' OD1' ' B' ' 44' ' ' ASN . 28.4 p -70.0 -30.78 68.18 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 123.482 0.489 . . . . 48.100000000000001 112.235 179.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -80.27 -32.56 38.22 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.306 1.051 . . . . 56.07 113.084 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -48.6 82.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.759 -1.2 . . . . 19.379999999999999 107.759 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -42.39 95.02 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.24 0.83 . . . . 31.550000000000001 113.24 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -57.89 -44.79 86.96 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.428 1.27 . . . . 44.549999999999997 114.428 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.22 -38.65 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 122.088 -0.382 . . . . 21.469999999999999 111.723 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.12 -46.37 91.98 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 CA-C-O 122.906 1.336 . . . . 18.370000000000001 112.092 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.14 -44.08 76.86 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.725 -1.58 . . . . 39.770000000000003 108.695 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -58.02 -50.22 74.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.149 0.905 . . . . 45.030000000000001 111.954 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -46.11 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 119.925 -0.71 . . . . 19.510000000000002 110.626 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.06 -45.83 61.49 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 114.12 1.156 . . . . 22.609999999999999 114.12 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.76 -40.99 63.08 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.15 1.38 . . . . 30.870000000000001 112.096 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -52.25 -38.81 59.22 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.444 1.116 . . . . 48.490000000000002 112.168 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 213' ' ' HOH . 34.2 mmtt -80.65 -6.71 58.74 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 112.903 0.705 . . . . 39.259999999999998 112.903 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.49 34.21 88.54 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.11 -1.043 . . . . 28.420000000000002 114.912 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -102.34 142.06 34.16 Favored 'General case' 0 C--O 1.189 -2.125 0 O-C-N 122.176 -0.602 . . . . 38.670000000000002 112.04 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -78.59 165.26 23.89 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.836 -0.346 . . . . 20.890000000000001 111.451 171.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -61.92 -40.87 96.97 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.93 -0.577 . . . . 21.75 110.915 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.72 -43.25 85.16 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 124.119 0.968 . . . . 49.020000000000003 111.18 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -64.49 -44.36 91.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.773 0.797 . . . . 55.57 110.94 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.26 -40.55 86.23 Favored 'General case' 0 CA--C 1.491 -1.304 0 C-N-CA 119.119 -1.032 . . . . 23.440000000000001 108.839 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.93 84.43 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-O 122.245 1.022 . . . . 28.600000000000001 110.348 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -65.85 -47.05 76.26 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 113.95 -1.477 . . . . 52.490000000000002 109.736 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -72.83 -18.02 61.49 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.29 0.994 . . . . 51.32 113.334 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.9 m -104.62 -3.87 23.24 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 113.763 1.024 . . . . 29.73 113.763 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.36 20.42 8.65 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 114.908 1.447 . . . . 34.090000000000003 114.908 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.21 139.56 53.22 Favored 'General case' 0 CA--C 1.491 -1.311 0 N-CA-C 107.871 -1.159 . . . . 33.109999999999999 107.871 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.24 154.13 6.22 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.176 0.923 . . . . 48.399999999999999 110.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -65.31 -37.11 86.13 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 119.112 -1.035 . . . . 44.539999999999999 109.142 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.0 p -55.55 -45.34 77.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.468 0.651 . . . . 44.009999999999998 112.276 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.33 63.98 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 116.714 2.116 . . . . 25.07 116.714 168.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.79 -42.01 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 O-C-N 121.163 -0.961 . . . . 24.739999999999998 108.885 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -66.19 -41.42 90.27 Favored 'General case' 0 C--O 1.267 1.982 0 CA-C-N 114.964 -1.016 . . . . 38.259999999999998 109.493 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.92 97.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-O 118.422 -1.21 . . . . 25.93 112.644 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -62.97 -41.96 94.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 118.267 1.034 . . . . 28.789999999999999 109.059 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -73.02 -21.75 60.77 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 118.201 -1.399 . . . . 36.020000000000003 111.193 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -95.76 7.34 46.57 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.523 -0.917 . . . . 63.700000000000003 108.523 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' B' ' 223' ' ' HOH . 62.7 m-20 64.99 2.3 1.73 Allowed 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.436 0.902 . . . . 52.329999999999998 113.436 177.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -87.52 23.51 1.9 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.767 0.427 . . . . 62.950000000000003 112.0 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -162.96 126.47 2.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.716 1.006 . . . . 67.909999999999997 113.716 -174.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -69.14 -177.33 1.05 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.856 -0.794 . . . . 48.579999999999998 108.856 172.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 38.7 tp -159.34 138.51 11.22 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 104.925 -2.25 . . . . 36.549999999999997 104.925 -170.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -91.65 166.34 12.85 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.527 -0.916 . . . . 24.530000000000001 108.527 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 6' ' ' LEU . 47.9 mm -65.8 -39.64 85.38 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.233 0 N-CA-C 107.993 -1.114 . . . . 24.809999999999999 107.993 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . 0.637 ' HD2' HH21 ' A' ' 46' ' ' ARG . 2.9 tttp -62.08 -40.16 94.9 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 118.888 -1.125 . . . . 49.329999999999998 111.187 176.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -43.02 95.92 Favored 'General case' 0 CA--C 1.479 -1.762 0 N-CA-C 113.836 1.05 . . . . 20.960000000000001 113.836 172.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -64.99 -38.53 91.25 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.299 1.047 . . . . 20.789999999999999 109.642 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.97 -48.37 78.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 118.374 -1.33 . . . . 46.939999999999998 113.387 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.05 -38.73 91.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.929 0.871 . . . . 27.27 108.677 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.81 -42.36 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.442 0 N-CA-C 116.24 1.941 . . . . 25.710000000000001 116.24 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' B' ' 64' ' ' ASP . 27.9 mtm -52.22 -55.19 22.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 119.333 -0.947 . . . . 18.190000000000001 111.541 175.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -56.83 -42.27 79.33 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.743 -0.383 . . . . 40.210000000000001 111.269 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.9 -36.48 86.68 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.991 -0.844 . . . . 31.48 110.991 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.43 -12.35 60.48 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-N 118.4 1.1 . . . . 30.780000000000001 113.594 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 56.11 44.47 25.19 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 121.561 -0.712 . . . . 51.810000000000002 111.994 -172.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.84 146.15 27.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.846 -0.798 . . . . 31.32 108.846 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -70.35 152.97 43.53 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.151 0.907 . . . . 27.489999999999998 110.419 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . 0.473 ' HA ' ' SD ' ' B' ' 57' ' ' MET . 3.3 p30 -60.45 -39.62 88.19 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 119.939 -0.704 . . . . 38.390000000000001 112.016 178.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.9 -48.92 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 O-C-N 124.809 1.318 . . . . 23.670000000000002 111.183 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.95 -47.57 92.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.816 0 C-N-CA 118.927 -1.109 . . . . 25.670000000000002 111.594 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -47.98 -53.9 14.6 Favored 'General case' 0 C--O 1.292 3.313 0 N-CA-C 115.706 1.743 . . . . 16.420000000000002 115.706 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.7 -31.37 71.28 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 122.811 1.291 . . . . 30.68 112.789 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.02 -36.95 78.33 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.284 -0.966 . . . . 31.309999999999999 110.165 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.26 -36.62 79.7 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 117.284 -1.766 . . . . 35.030000000000001 110.329 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.89 -45.07 83.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.658 -1.238 . . . . 19.34 107.658 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.1 mt -58.37 -51.5 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 N-CA-C 113.956 1.095 . . . . 20.309999999999999 113.956 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -49.2 -48.6 45.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.974 0.361 . . . . 51.369999999999997 111.974 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -59.36 -45.94 90.02 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 114.458 1.281 . . . . 47.340000000000003 114.458 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.32 -46.57 86.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 108.385 -0.969 . . . . 30.190000000000001 108.385 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.41 -44.83 93.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.479 2.029 . . . . 29.539999999999999 116.479 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.4 -22.86 32.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.032 -0.729 . . . . 63.090000000000003 109.032 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -134.05 2.51 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.211 -0.996 . . . . 66.019999999999996 113.031 -167.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 115.503 1.668 . . . . 80.260000000000005 115.503 172.756 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . 0.477 ' O ' ' OE2' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.463 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . 0.414 ' O ' ' HD3' ' B' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . 0.539 ' O ' ' NZ ' ' B' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . 0.459 ' O ' ' HA ' ' B' ' 44' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 112.923 0.712 . . . . 66.379999999999995 112.923 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -78.07 -29.36 49.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.993 1.108 . . . . 74.700000000000003 113.993 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.3 -55.89 5.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.989 -0.685 . . . . 65.069999999999993 112.324 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -64.35 -32.5 74.13 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.57 -0.852 . . . . 46.700000000000003 111.181 -174.243 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 p -68.62 -27.65 66.21 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.863 -0.791 . . . . 38.270000000000003 108.863 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -36.65 21.97 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 119.066 -1.054 . . . . 60.700000000000003 111.026 179.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.81 -49.61 82.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.381 -0.97 . . . . 20.219999999999999 108.381 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.407 ' OG ' ' HB3' ' A' ' 45' ' ' SER . 1.7 m -60.48 -38.89 85.71 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 118.817 -1.153 . . . . 33.619999999999997 112.466 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -68.35 -43.65 77.02 Favored 'General case' 0 C--O 1.206 -1.192 0 N-CA-C 106.904 -1.517 . . . . 34.57 106.904 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.19 -37.93 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 118.235 -0.888 . . . . 18.16 112.644 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.51 -47.69 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.21 0 N-CA-C 107.389 -1.337 . . . . 17.920000000000002 107.389 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.36 -45.03 85.73 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 117.55 -1.66 . . . . 38.520000000000003 111.508 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -57.06 -48.23 79.06 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.863 -0.589 . . . . 44.350000000000001 110.425 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.96 -41.02 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 114.767 1.395 . . . . 17.899999999999999 114.767 174.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -60.8 -40.85 94.23 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 108.123 -1.066 . . . . 19.289999999999999 108.123 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.78 -31.24 59.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.375 0.879 . . . . 27.5 113.375 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' A' ' 109' ' ' HOH . 79.4 mt-10 -68.91 -23.18 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.673 0.62 . . . . 43.920000000000002 112.673 171.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 118' ' ' HOH . 29.2 mmtt -93.38 2.52 56.5 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 121.69 -0.631 . . . . 44.119999999999997 109.516 174.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.76 78.84 Favored Glycine 0 N--CA 1.47 0.909 0 N-CA-C 119.217 2.447 . . . . 25.0 119.217 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.2 mtp -102.89 144.66 30.91 Favored 'General case' 0 N--CA 1.414 -2.245 0 CA-C-O 121.702 0.763 . . . . 39.689999999999998 113.049 -171.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -84.45 168.96 15.01 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.246 -2.252 . . . . 20.84 110.632 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -68.21 -40.08 82.23 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 118.681 -1.208 . . . . 25.82 108.67 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.49 -48.45 77.12 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 124.193 0.933 . . . . 42.340000000000003 110.398 175.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.53 -45.07 89.62 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.876 0.735 . . . . 57.600000000000001 110.154 -179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.15 -38.79 91.7 Favored 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.77 1.026 . . . . 24.289999999999999 113.77 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.33 84.63 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 114.227 -1.351 . . . . 28.140000000000001 109.286 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -72.24 -39.58 68.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.689 -1.596 . . . . 41.82 111.842 -175.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -77.0 -15.3 59.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 116.316 1.969 . . . . 43.509999999999998 116.316 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -106.39 -5.17 19.19 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 118.722 0.692 . . . . 28.850000000000001 112.839 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 t30 64.81 23.61 12.7 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.807 0.692 . . . . 39.549999999999997 112.553 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.47 145.53 46.22 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.027 -1.472 . . . . 30.260000000000002 107.027 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.516 ' OD2' ' OG1' ' A' ' 36' ' ' THR . 7.4 p-10 -59.76 157.38 12.2 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 117.195 -1.802 . . . . 41.020000000000003 113.493 -175.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -60.34 -39.85 88.56 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.097 -1.441 . . . . 66.849999999999994 111.581 -175.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . 0.516 ' OG1' ' OD2' ' A' ' 34' ' ' ASP . 67.3 p -62.81 -41.16 99.18 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 108.161 -1.052 . . . . 48.299999999999997 108.161 -177.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.13 67.21 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.344 1.238 . . . . 27.809999999999999 114.344 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.1 mm -57.26 -49.41 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 120.408 -0.517 . . . . 23.25 110.939 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -60.83 -38.38 85.27 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 124.522 1.139 . . . . 30.859999999999999 110.392 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -42.61 99.66 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.745 -1.116 . . . . 28.82 111.288 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.5 mt -74.91 -29.94 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.389 -1.337 . . . . 41.289999999999999 107.389 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -80.08 -18.03 51.06 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 105.447 -2.057 . . . . 32.049999999999997 105.447 -172.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -91.72 -29.95 16.54 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.939 1.088 . . . . 57.090000000000003 113.939 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -162.27 116.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.69 0.256 . . . . 56.399999999999999 111.69 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 1.2 p -94.98 13.6 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 116.029 1.863 . . . . 50.380000000000003 116.029 -174.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 10.0 ptm180 -50.51 -51.21 49.51 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 112.882 0.697 . . . . 68.230000000000004 112.882 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.32 13.31 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 115.927 1.825 . . . . 54.380000000000003 115.927 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.81 129.23 39.34 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 119.319 -0.952 . . . . 33.090000000000003 109.31 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -84.97 163.32 18.99 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 119.339 0.972 . . . . 24.559999999999999 111.4 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mm -62.07 -39.18 82.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.693 -0.685 . . . . 21.559999999999999 112.31 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -60.85 -48.16 83.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 123.251 1.5 . . . . 62.670000000000002 112.647 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 m -58.64 -38.89 79.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.951 1.834 . . . . 21.390000000000001 115.951 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.33 -37.39 86.94 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 108.67 -0.863 . . . . 20.84 108.67 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.72 -43.68 97.56 Favored 'General case' 0 CA--C 1.567 1.608 0 O-C-N 121.17 -0.956 . . . . 37.469999999999999 112.15 173.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.96 -43.35 95.08 Favored 'General case' 0 C--O 1.267 1.995 0 N-CA-C 108.394 -0.965 . . . . 30.989999999999998 108.394 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.04 -45.47 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.253 0 N-CA-C 114.308 1.225 . . . . 18.989999999999998 114.308 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mtm -49.66 -56.76 8.92 Favored 'General case' 0 C--O 1.256 1.438 0 C-N-CA 118.249 -1.38 . . . . 21.210000000000001 112.779 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.24 -37.06 71.73 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 119.83 -0.748 . . . . 41.740000000000002 112.482 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.83 -35.74 54.0 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 121.397 -0.43 . . . . 25.219999999999999 113.664 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 mt -70.55 -10.2 58.65 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 117.982 0.891 . . . . 24.48 112.341 168.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 51.43 52.86 13.89 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.365 1.246 . . . . 63.07 114.365 -166.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.53 138.66 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 103.065 -2.939 . . . . 28.420000000000002 103.065 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.2 p -72.87 153.78 40.88 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.36 -1.348 . . . . 23.870000000000001 107.36 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -57.84 -42.96 85.48 Favored 'General case' 0 CA--C 1.491 -1.294 0 CA-C-N 116.414 -0.357 . . . . 40.68 111.496 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.58 -45.36 90.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 O-C-N 125.145 1.528 . . . . 21.829999999999998 109.785 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.76 -51.49 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 CA-C-O 121.368 0.604 . . . . 31.780000000000001 111.972 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -46.88 -55.88 7.27 Favored 'General case' 0 C--O 1.265 1.9 0 CA-C-N 114.482 -1.235 . . . . 18.989999999999998 113.519 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -60.76 -33.26 72.68 Favored 'General case' 0 C--O 1.254 1.33 0 C-N-CA 118.826 -1.15 . . . . 29.530000000000001 113.844 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.57 -33.93 64.89 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 118.475 -1.29 . . . . 28.059999999999999 109.522 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.4 mtt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 116.3 -2.16 . . . . 32.299999999999997 112.189 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.89 -45.32 89.86 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.956 1.41 . . . . 17.27 108.306 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.3 -45.27 98.68 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 O-C-N 120.493 -1.379 . . . . 22.34 113.093 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -57.22 -44.77 84.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 121.454 -0.779 . . . . 41.009999999999998 109.792 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -63.57 -48.3 77.99 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.623 1.202 . . . . 46.869999999999997 111.323 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.43 -46.73 92.48 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 C-N-CA 118.329 -1.349 . . . . 29.32 112.732 175.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.63 -39.62 84.64 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 119.665 -0.814 . . . . 27.66 112.762 -174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -81.59 -23.77 36.89 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.963 -0.562 . . . . 47.869999999999997 110.685 -173.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -124.32 -3.13 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 115.869 1.803 . . . . 47.07 115.869 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 t0 . . . . . 0 N--CA 1.464 0.259 0 C-N-CA 119.543 -0.863 . . . . 76.090000000000003 111.917 173.748 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 121.005 0.431 . . . . 57.979999999999997 111.805 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.21 -50.67 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.395 1.257 . . . . 52.090000000000003 114.395 -164.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.15 -52.24 65.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.001 -0.68 . . . . 33.969999999999999 110.184 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.0 tp -62.04 -33.22 73.97 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 53.420000000000002 111.084 -172.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . 0.441 ' HA ' ' OD1' ' B' ' 44' ' ' ASN . 28.4 p -70.0 -30.78 68.18 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 123.482 0.489 . . . . 48.100000000000001 112.235 179.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -80.27 -32.56 38.22 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.306 1.051 . . . . 56.07 113.084 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -48.6 82.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.759 -1.2 . . . . 19.379999999999999 107.759 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -42.39 95.02 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.24 0.83 . . . . 31.550000000000001 113.24 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -57.89 -44.79 86.96 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.428 1.27 . . . . 44.549999999999997 114.428 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.22 -38.65 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 122.088 -0.382 . . . . 21.469999999999999 111.723 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.12 -46.37 91.98 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 CA-C-O 122.906 1.336 . . . . 18.370000000000001 112.092 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.14 -44.08 76.86 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.725 -1.58 . . . . 39.770000000000003 108.695 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -58.02 -50.22 74.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.149 0.905 . . . . 45.030000000000001 111.954 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -46.11 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 C-N-CA 119.925 -0.71 . . . . 19.510000000000002 110.626 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.06 -45.83 61.49 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 114.12 1.156 . . . . 22.609999999999999 114.12 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.76 -40.99 63.08 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.15 1.38 . . . . 30.870000000000001 112.096 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -52.25 -38.81 59.22 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.444 1.116 . . . . 48.490000000000002 112.168 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 213' ' ' HOH . 34.2 mmtt -80.65 -6.71 58.74 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 112.903 0.705 . . . . 39.259999999999998 112.903 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.49 34.21 88.54 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.11 -1.043 . . . . 28.420000000000002 114.912 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -102.34 142.06 34.16 Favored 'General case' 0 C--O 1.189 -2.125 0 O-C-N 122.176 -0.602 . . . . 38.670000000000002 112.04 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 43.8 p -78.59 165.26 23.89 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.836 -0.346 . . . . 20.890000000000001 111.451 171.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -61.92 -40.87 96.97 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.93 -0.577 . . . . 21.75 110.915 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.72 -43.25 85.16 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 124.119 0.968 . . . . 49.020000000000003 111.18 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -64.49 -44.36 91.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.773 0.797 . . . . 55.57 110.94 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.26 -40.55 86.23 Favored 'General case' 0 CA--C 1.491 -1.304 0 C-N-CA 119.119 -1.032 . . . . 23.440000000000001 108.839 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.93 84.43 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-O 122.245 1.022 . . . . 28.600000000000001 110.348 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -65.85 -47.05 76.26 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 113.95 -1.477 . . . . 52.490000000000002 109.736 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -72.83 -18.02 61.49 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.29 0.994 . . . . 51.32 113.334 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.9 m -104.62 -3.87 23.24 Favored 'General case' 0 C--O 1.253 1.285 0 N-CA-C 113.763 1.024 . . . . 29.73 113.763 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.36 20.42 8.65 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 114.908 1.447 . . . . 34.090000000000003 114.908 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.21 139.56 53.22 Favored 'General case' 0 CA--C 1.491 -1.311 0 N-CA-C 107.871 -1.159 . . . . 33.109999999999999 107.871 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.24 154.13 6.22 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.176 0.923 . . . . 48.399999999999999 110.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -65.31 -37.11 86.13 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 119.112 -1.035 . . . . 44.539999999999999 109.142 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.0 p -55.55 -45.34 77.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.468 0.651 . . . . 44.009999999999998 112.276 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.33 63.98 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 116.714 2.116 . . . . 25.07 116.714 168.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.79 -42.01 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 O-C-N 121.163 -0.961 . . . . 24.739999999999998 108.885 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -66.19 -41.42 90.27 Favored 'General case' 0 C--O 1.267 1.982 0 CA-C-N 114.964 -1.016 . . . . 38.259999999999998 109.493 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.92 97.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-O 118.422 -1.21 . . . . 25.93 112.644 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -62.97 -41.96 94.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 118.267 1.034 . . . . 28.789999999999999 109.059 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -73.02 -21.75 60.77 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 118.201 -1.399 . . . . 36.020000000000003 111.193 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -95.76 7.34 46.57 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.523 -0.917 . . . . 63.700000000000003 108.523 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' B' ' 223' ' ' HOH . 62.7 m-20 64.99 2.3 1.73 Allowed 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.436 0.902 . . . . 52.329999999999998 113.436 177.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -87.52 23.51 1.9 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.767 0.427 . . . . 62.950000000000003 112.0 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -162.96 126.47 2.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.716 1.006 . . . . 67.909999999999997 113.716 -174.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -69.14 -177.33 1.05 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.856 -0.794 . . . . 48.579999999999998 108.856 172.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 38.7 tp -159.34 138.51 11.22 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 104.925 -2.25 . . . . 36.549999999999997 104.925 -170.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -91.65 166.34 12.85 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.527 -0.916 . . . . 24.530000000000001 108.527 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 6' ' ' LEU . 47.9 mm -65.8 -39.64 85.38 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.233 0 N-CA-C 107.993 -1.114 . . . . 24.809999999999999 107.993 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.637 ' HD2' HH21 ' A' ' 46' ' ' ARG . 2.9 tttp -62.08 -40.16 94.9 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 118.888 -1.125 . . . . 49.329999999999998 111.187 176.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -43.02 95.92 Favored 'General case' 0 CA--C 1.479 -1.762 0 N-CA-C 113.836 1.05 . . . . 20.960000000000001 113.836 172.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -64.99 -38.53 91.25 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.299 1.047 . . . . 20.789999999999999 109.642 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.97 -48.37 78.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 118.374 -1.33 . . . . 46.939999999999998 113.387 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.05 -38.73 91.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.929 0.871 . . . . 27.27 108.677 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.81 -42.36 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.442 0 N-CA-C 116.24 1.941 . . . . 25.710000000000001 116.24 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' B' ' 64' ' ' ASP . 27.9 mtm -52.22 -55.19 22.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 119.333 -0.947 . . . . 18.190000000000001 111.541 175.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -56.83 -42.27 79.33 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.743 -0.383 . . . . 40.210000000000001 111.269 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.9 -36.48 86.68 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.991 -0.844 . . . . 31.48 110.991 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.43 -12.35 60.48 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-N 118.4 1.1 . . . . 30.780000000000001 113.594 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 56.11 44.47 25.19 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 121.561 -0.712 . . . . 51.810000000000002 111.994 -172.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.84 146.15 27.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.846 -0.798 . . . . 31.32 108.846 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -70.35 152.97 43.53 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.151 0.907 . . . . 27.489999999999998 110.419 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.473 ' HA ' ' SD ' ' B' ' 57' ' ' MET . 3.3 p30 -60.45 -39.62 88.19 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 119.939 -0.704 . . . . 38.390000000000001 112.016 178.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.9 -48.92 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 O-C-N 124.809 1.318 . . . . 23.670000000000002 111.183 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.95 -47.57 92.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.816 0 C-N-CA 118.927 -1.109 . . . . 25.670000000000002 111.594 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -47.98 -53.9 14.6 Favored 'General case' 0 C--O 1.292 3.313 0 N-CA-C 115.706 1.743 . . . . 16.420000000000002 115.706 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.7 -31.37 71.28 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 122.811 1.291 . . . . 30.68 112.789 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.02 -36.95 78.33 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.284 -0.966 . . . . 31.309999999999999 110.165 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.26 -36.62 79.7 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 117.284 -1.766 . . . . 35.030000000000001 110.329 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.89 -45.07 83.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.658 -1.238 . . . . 19.34 107.658 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.1 mt -58.37 -51.5 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 N-CA-C 113.956 1.095 . . . . 20.309999999999999 113.956 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -49.2 -48.6 45.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.974 0.361 . . . . 51.369999999999997 111.974 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -59.36 -45.94 90.02 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 114.458 1.281 . . . . 47.340000000000003 114.458 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.32 -46.57 86.72 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 108.385 -0.969 . . . . 30.190000000000001 108.385 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.41 -44.83 93.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.479 2.029 . . . . 29.539999999999999 116.479 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.4 -22.86 32.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.032 -0.729 . . . . 63.090000000000003 109.032 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -134.05 2.51 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.211 -0.996 . . . . 66.019999999999996 113.031 -167.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 115.503 1.668 . . . . 80.260000000000005 115.503 172.756 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . 0.477 ' O ' ' OE2' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.463 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . 0.414 ' O ' ' HD3' ' B' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . 0.539 ' O ' ' NZ ' ' B' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . 0.459 ' O ' ' HA ' ' B' ' 44' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_