data_5kxt_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 5kxt _Structure_validation_residue.Date_analyzed 2016-10-13 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.5 tttt . . . . . 0 N--CA 1.516 2.842 0 CA-C-O 121.376 0.608 . . . . 20.35 110.124 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.56 108.21 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.362 0 O-C-N 120.531 -1.356 . . . . 21.38 107.934 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -74.94 147.22 41.11 Favored 'General case' 1 C--O 1.148 -4.257 0 CA-C-O 126.885 3.231 . . . . 19.24 110.454 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 159.34 53.52 Favored Glycine 0 C--N 1.374 2.693 0 CA-C-N 110.125 -3.216 . . . . 18.38 111.257 159.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.24 -57.91 10.78 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 113.876 1.065 . . . . 30.18 113.876 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.88 -41.51 82.67 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.716 -1.24 . . . . 14.77 110.631 -177.52 -70.632 -62.373 -79.525 99.377 2.006 104.464 -39.645 -53.429 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -60.85 -41.0 94.97 Favored 'General case' 0 N--CA 1.415 -2.193 0 O-C-N 119.745 -1.847 . . . . 21.37 111.847 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.79 -34.98 62.51 Favored 'General case' 0 C--O 1.265 1.908 0 O-C-N 124.993 1.433 . . . . 13.78 110.239 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.68 76.23 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 125.943 2.027 . . . . 16.39 112.03 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.59 97.25 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 124.365 2.031 . . . . 19.35 115.047 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.8 91.58 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 111.85 -2.432 . . . . 16.14 112.346 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 mtt -59.67 -38.34 81.23 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.131 0.973 . . . . 17.15 112.195 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.84 -45.49 78.06 Favored 'General case' 0 C--O 1.286 2.986 0 N-CA-C 107.003 -1.48 . . . . 38.62 107.003 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -63.07 -28.27 69.97 Favored 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 115.748 1.758 . . . . 38.53 115.748 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -91.78 12.94 19.73 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 114.551 1.315 . . . . 29.86 114.551 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 23.46 52.07 Favored Glycine 0 N--CA 1.413 -2.874 0 N-CA-C 115.675 1.03 . . . . 21.21 115.675 166.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.5 mt -81.87 -19.45 40.91 Favored 'General case' 0 CA--C 1.455 -2.703 0 N-CA-C 117.227 2.306 . . . . 18.63 117.227 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -69.05 119.3 13.12 Favored 'General case' 0 N--CA 1.386 -3.651 0 O-C-N 117.73 -3.106 . . . . 36.37 110.625 -176.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 65.7 22.53 11.59 Favored 'General case' 0 C--O 1.3 3.721 0 C-N-CA 126.243 1.817 . . . . 39.99 111.972 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -66.34 121.19 14.71 Favored 'General case' 0 N--CA 1.411 -2.416 0 O-C-N 117.062 -3.524 . . . . 24.46 111.914 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.67 32.69 12.36 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.547 1.139 . . . . 55.68 112.545 -170.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.77 10.43 86.2 Favored Glycine 1 N--CA 1.372 -5.596 0 N-CA-C 119.586 2.594 . . . . 15.47 119.586 177.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -97.46 109.19 21.99 Favored 'General case' 0 C--O 1.197 -1.661 0 CA-C-N 114.442 -0.879 . . . . 13.9 109.394 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.2 p -63.48 158.82 19.89 Favored 'General case' 0 C--O 1.281 2.762 0 O-C-N 125.829 1.956 . . . . 19.37 110.39 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.74 -37.44 65.92 Favored 'General case' 0 C--O 1.29 3.214 0 CA-C-O 117.119 -1.419 . . . . 18.32 114.163 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -41.07 97.83 Favored Glycine 0 N--CA 1.423 -2.187 0 CA-C-N 122.676 2.489 . . . . 11.73 112.657 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -52.04 -42.44 63.1 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 121.591 -0.946 . . . . 10.62 111.265 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -70.93 -40.62 71.97 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.267 -0.879 . . . . 16.02 111.797 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.18 -45.58 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.748 0 O-C-N 120.03 -1.669 . . . . 12.73 110.485 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.12 -43.8 91.98 Favored 'General case' 0 N--CA 1.425 -1.711 0 O-C-N 119.762 -1.836 . . . . 11.86 110.479 177.915 -174.469 -91.557 -93.505 103.663 2.032 103.118 -79.47 -57.127 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.65 94.41 Favored 'General case' 0 C--O 1.196 -1.74 0 O-C-N 124.858 1.348 . . . . 10.47 110.601 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.8 84.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.355 0.598 . . . . 9.55 112.249 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -62.41 -49.88 73.73 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.356 -1.35 . . . . 12.9 107.356 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -75.73 -22.47 56.53 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 117.145 -1.407 . . . . 10.99 114.514 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -79.71 -43.73 22.11 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 119.32 0.964 . . . . 14.66 109.486 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -135.09 -4.54 2.41 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 119.957 -1.714 . . . . 13.05 111.227 -163.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 t30 55.37 35.02 24.12 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 122.659 2.481 . . . . 30.32 111.047 -169.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 66.08 23.8 11.01 Favored 'General case' 0 N--CA 1.511 2.577 0 C-N-CA 130.096 3.358 . . . . 13.49 116.11 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -108.58 121.7 45.53 Favored 'General case' 0 C--O 1.279 2.619 0 N-CA-C 105.717 -1.957 . . . . 15.78 105.717 -170.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -60.57 -19.65 58.14 Favored 'General case' 0 C--N 1.277 -2.553 0 O-C-N 120.615 -1.303 . . . . 14.13 112.781 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.87 2.42 55.43 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 120.628 -1.295 . . . . 11.75 113.67 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.03 129.83 43.75 Favored 'General case' 0 C--O 1.273 2.329 0 CA-C-N 119.375 0.989 . . . . 10.82 112.931 -170.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -129.53 145.26 51.48 Favored 'General case' 0 CA--C 1.452 -2.796 0 O-C-N 125.181 1.551 . . . . 15.45 109.821 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -140.8 134.91 30.87 Favored 'General case' 0 C--O 1.264 1.847 0 O-C-N 120.192 -1.568 . . . . 17.17 109.86 170.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -106.9 126.92 52.93 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 125.449 2.547 . . . . 22.24 111.86 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -93.73 158.02 15.88 Favored 'General case' 0 C--O 1.181 -2.521 0 CA-C-N 111.849 -2.432 . . . . 22.29 111.858 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -55.27 -36.51 66.18 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.515 -1.675 . . . . 40.08 114.81 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -71.33 -2.03 14.93 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 123.454 1.597 . . . . 21.71 113.296 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.74 -7.81 74.01 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 118.218 -2.801 . . . . 20.09 115.104 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -84.34 165.31 18.36 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 126.3 1.84 . . . . 14.14 110.189 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 m -129.41 145.65 51.38 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 123.713 1.72 . . . . 10.3 108.427 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -100.73 136.19 40.98 Favored 'General case' 0 C--O 1.266 1.962 0 CA-C-N 113.331 -1.759 . . . . 12.89 108.146 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -127.18 140.14 52.45 Favored 'General case' 0 C--O 1.295 3.451 0 O-C-N 124.207 0.942 . . . . 8.87 111.689 -170.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.78 -167.79 54.57 Favored Glycine 0 C--O 1.182 -3.129 0 CA-C-O 124.191 1.995 . . . . 10.49 115.88 163.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.37 -26.98 41.8 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 112.964 -1.618 . . . . 23.19 112.504 -168.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.45 15.03 17.95 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 124.42 2.057 . . . . 13.68 113.706 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 52.8 57.43 6.38 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 117.075 -3.516 . . . . 13.41 110.337 168.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.9 mt -89.6 136.37 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 C-N-CA 126.71 2.004 . . . . 10.62 106.787 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -93.01 137.61 32.22 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 118.803 -2.435 . . . . 21.18 114.633 -175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 94.3 p -73.45 -10.37 59.66 Favored 'General case' 0 C--O 1.29 3.184 0 N-CA-C 115.842 1.793 . . . . 16.16 115.842 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -71.9 -30.06 64.99 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 120.314 1.416 . . . . 50.8 109.076 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -119.75 -33.5 3.99 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.23 -2.169 . . . . 51.81 116.531 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -109.37 -27.71 9.35 Favored 'General case' 0 N--CA 1.413 -2.289 0 O-C-N 117.892 -3.005 . . . . 18.6 117.979 -157.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.9 p -142.18 164.44 30.15 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-N 112.99 -1.914 . . . . 12.67 112.325 -175.114 73.341 87.752 96.908 97.399 1.931 110.982 -71.594 -61.991 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 303' ' ' HOH . 18.8 t-20 -102.47 122.62 44.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.107 -1.861 . . . . 17.43 110.15 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -113.53 0.43 14.67 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 111.061 -2.791 . . . . 15.58 113.091 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 2.12 38.21 Favored Glycine 1 CA--C 1.423 -5.677 0 CA-C-O 117.526 -1.708 . . . . 23.38 116.23 -177.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -134.32 20.77 3.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 123.159 3.479 . . . . 21.12 113.552 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -120.54 84.98 37.24 Favored Pre-proline 1 C--O 1.135 -4.954 0 N-CA-C 106.23 -1.767 . . . . 20.62 106.23 -178.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -57.11 135.09 68.55 Favored 'Trans proline' 0 CA--C 1.459 -3.232 0 N-CA-C 117.207 1.964 . . . . 31.97 117.207 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.58 8.44 87.52 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 113.376 -1.738 . . . . 41.09 111.014 172.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -85.34 169.37 13.78 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 108.614 -0.884 . . . . 29.02 108.614 -170.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -106.75 175.0 5.64 Favored 'General case' 1 C--O 1.327 5.182 0 CA-C-O 125.042 2.353 . . . . 56.15 105.315 176.445 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -141.67 69.73 1.33 Allowed 'General case' 0 C--N 1.255 -3.53 0 CA-C-N 111.955 -2.384 . . . . 19.82 105.952 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.49 -21.93 57.63 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-O 122.225 1.012 . . . . 20.17 112.139 -172.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -87.68 -5.5 58.67 Favored 'General case' 0 N--CA 1.409 -2.524 0 O-C-N 116.865 -3.647 . . . . 17.76 115.259 173.034 -71.121 173.812 88.689 101.191 2.024 106.23 50.152 -170.161 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 t30 55.98 46.52 21.74 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 125.548 2.594 . . . . 28.61 116.074 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . 0.55 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 18.0 tt -164.53 145.3 6.45 Favored Pre-proline 0 N--CA 1.408 -2.531 0 CA-C-N 111.543 -2.571 . . . . 25.23 112.378 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.44 141.56 68.25 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 114.194 -3.404 . . . . 13.4 109.153 169.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.7 -31.32 68.15 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 113.661 -1.609 . . . . 13.08 111.646 -175.39 -61.991 -71.594 96.908 110.982 1.931 97.399 87.752 73.341 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.7 p -54.6 -30.02 53.46 Favored 'General case' 0 C--O 1.292 3.291 0 N-CA-C 115.126 1.528 . . . . 18.6 115.126 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.88 59.36 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 118.884 -2.385 . . . . 12.32 116.073 174.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 78' ' ' ILE . 72.5 mt -69.82 0.18 6.15 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.645 -0.707 . . . . 12.42 109.335 177.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.86 -1.89 25.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 118.105 -0.95 . . . . 17.66 112.791 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.2 p -59.49 151.88 23.11 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.874 1.435 . . . . 18.09 114.874 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 p -62.1 -23.73 66.7 Favored 'General case' 0 N--CA 1.426 -1.649 0 O-C-N 119.571 -1.956 . . . . 23.59 114.319 166.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.4 114.89 25.48 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 105.694 -1.965 . . . . 34.13 105.694 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.4 pt -91.34 23.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.467 -2.244 0 N-CA-C 115.116 1.525 . . . . 17.45 115.116 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.03 -52.19 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.496 -1.378 . . . . 22.44 114.133 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.72 93.08 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 118.465 -1.294 . . . . 16.57 108.451 -173.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -58.71 -44.58 90.41 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.455 -0.778 . . . . 14.74 112.736 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.66 -47.38 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.644 0 CA-C-O 115.502 -2.19 . . . . 13.57 112.043 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -59.89 -41.19 91.07 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 120.725 1.602 . . . . 29.39 111.9 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.8 t -70.51 -35.65 73.33 Favored 'General case' 0 N--CA 1.425 -1.686 0 O-C-N 120.476 -1.39 . . . . 14.37 111.334 177.866 -170.161 50.152 88.689 106.23 2.024 101.191 173.812 -71.121 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.62 86.25 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.814 -1.804 . . . . 12.58 110.563 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.49 -39.15 86.68 Favored 'General case' 0 CA--C 1.491 -1.296 0 C-N-CA 120.161 -0.616 . . . . 15.35 110.248 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -67.05 -43.8 81.81 Favored 'General case' 0 C--O 1.264 1.836 0 O-C-N 119.981 -1.699 . . . . 34.37 109.034 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -49.58 82.51 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 O-C-N 118.226 -2.796 . . . . 15.73 109.026 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.83 -31.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 118.19 -0.91 . . . . 16.22 111.308 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 m -56.01 -20.67 17.58 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 107.149 -1.426 . . . . 17.79 107.149 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.5 -9.52 59.63 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 117.533 -1.223 . . . . 38.53 112.374 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.53 -37.11 2.03 Favored Glycine 0 C--O 1.252 1.238 0 CA-C-O 117.955 -1.469 . . . . 23.25 113.839 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -100.28 14.61 30.39 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.722 1.209 . . . . 32.84 110.988 -172.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 56.37 -144.5 36.6 Favored Glycine 0 N--CA 1.408 -3.19 0 O-C-N 120.822 -1.174 . . . . 13.33 113.357 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.4 mtp -74.92 -1.17 21.25 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 119.366 -0.934 . . . . 11.83 110.457 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -66.65 -13.14 60.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 119.812 -1.805 . . . . 14.06 110.714 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.99 46.82 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 121.445 1.929 . . . . 12.77 112.534 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -94.0 110.4 22.09 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 106.393 -1.706 . . . . 13.16 106.393 172.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.14 -41.12 85.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 116.622 -1.656 . . . . 17.68 111.734 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.267 -2.995 0 C-N-CA 115.653 -2.419 . . . . 12.99 113.334 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.83 -49.05 77.97 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-O 122.918 1.342 . . . . 12.68 112.057 167.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -61.46 -44.77 96.52 Favored 'General case' 0 N--CA 1.415 -2.215 0 O-C-N 120.217 -1.552 . . . . 28.07 109.859 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.03 -37.62 66.84 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 115.31 1.596 . . . . 13.27 115.31 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -123.31 -14.76 7.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.061 -1.65 . . . . 16.73 111.985 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 63.6 m -120.48 -39.67 2.75 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 122.276 2.307 . . . . 13.29 112.919 -175.96 -57.127 -79.47 -93.505 103.118 2.032 103.663 -91.557 -174.469 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -59.63 128.27 36.16 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 119.912 1.233 . . . . 15.34 107.789 -175.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.61 -6.6 72.71 Favored Glycine 0 N--CA 1.499 2.888 0 CA-C-N 113.829 -1.532 . . . . 26.05 114.465 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -95.98 174.68 6.81 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 124.744 2.211 . . . . 17.78 109.007 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 68.52 3.21 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 114.181 -1.372 . . . . 26.7 107.951 172.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.1 m -66.62 -17.48 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.629 0 CA-C-N 112.712 -2.04 . . . . 16.76 109.145 -172.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' OE1' ' NE ' ' A' ' 125' ' ' ARG . 22.3 tm0? -57.25 -24.56 55.53 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 118.844 -1.142 . . . . 52.84 112.502 175.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.25 49.74 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 123.044 1.402 . . . . 23.72 113.542 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -70.68 -13.57 62.13 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 117.159 2.281 . . . . 22.09 117.159 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.1 pt -116.96 15.79 7.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 CA-C-O 116.845 -1.55 . . . . 27.46 111.093 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . 0.538 ' NE ' ' OE1' ' A' ' 121' ' ' GLN . 4.6 mtt85 -80.38 142.34 34.49 Favored 'General case' 0 CA--C 1.434 -3.503 0 CA-C-O 124.273 1.987 . . . . 53.12 107.462 -175.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.93 -25.34 8.84 Favored Glycine 0 N--CA 1.409 -3.128 0 C-N-CA 117.706 -2.187 . . . . 34.65 116.82 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.58 155.97 24.19 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 115.564 1.69 . . . . 21.82 115.564 -174.113 -53.429 -39.645 -79.525 104.464 2.006 99.377 -62.373 -70.632 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -90.39 105.09 17.58 Favored 'General case' 0 CA--C 1.481 -1.692 0 N-CA-C 107.574 -1.269 . . . . 51.65 107.574 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.494 1.733 0 O-C-N 124.986 1.428 . . . . 44.51 109.292 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.424 ' O ' ' ND2' ' A' ' 65' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' HB2' ' OG ' ' A' ' 86' ' ' SER . 77.5 tttt . . . . . 0 N--CA 1.516 2.842 0 CA-C-O 121.376 0.608 . . . . 20.350000000000001 110.124 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.56 108.21 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.362 0 O-C-N 120.531 -1.356 . . . . 21.379999999999999 107.934 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -74.94 147.22 41.11 Favored 'General case' 1 C--O 1.148 -4.257 0 CA-C-O 126.885 3.231 . . . . 19.239999999999998 110.454 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 159.34 53.52 Favored Glycine 0 C--N 1.374 2.693 0 CA-C-N 110.125 -3.216 . . . . 18.379999999999999 111.257 159.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.24 -57.91 10.78 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 113.876 1.065 . . . . 30.18 113.876 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.88 -41.51 82.67 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.716 -1.24 . . . . 17.079999999999998 110.631 -177.52 -70.632 -62.373 -79.525 99.377 2.006 104.464 -39.645 -53.429 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -60.85 -41.0 94.97 Favored 'General case' 0 N--CA 1.415 -2.193 0 O-C-N 119.745 -1.847 . . . . 21.370000000000001 111.847 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 38' ' ' PHE . 60.1 tp -74.79 -34.98 62.51 Favored 'General case' 0 C--O 1.265 1.908 0 O-C-N 124.993 1.433 . . . . 15.050000000000001 110.239 176.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.68 76.23 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 125.943 2.027 . . . . 16.390000000000001 112.03 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.59 97.25 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 124.365 2.031 . . . . 19.350000000000001 115.047 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.8 91.58 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 111.85 -2.432 . . . . 16.140000000000001 112.346 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 mtt -59.67 -38.34 81.23 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.131 0.973 . . . . 17.149999999999999 112.195 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.84 -45.49 78.06 Favored 'General case' 0 C--O 1.286 2.986 0 N-CA-C 107.003 -1.48 . . . . 38.619999999999997 107.003 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -63.07 -28.27 69.97 Favored 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 115.748 1.758 . . . . 38.530000000000001 115.748 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -91.78 12.94 19.73 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 114.551 1.315 . . . . 29.859999999999999 114.551 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 23.46 52.07 Favored Glycine 0 N--CA 1.413 -2.874 0 N-CA-C 115.675 1.03 . . . . 21.210000000000001 115.675 166.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.5 mt -81.87 -19.45 40.91 Favored 'General case' 0 CA--C 1.455 -2.703 0 N-CA-C 117.227 2.306 . . . . 18.629999999999999 117.227 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -69.05 119.3 13.12 Favored 'General case' 0 N--CA 1.386 -3.651 0 O-C-N 117.73 -3.106 . . . . 36.369999999999997 110.625 -176.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 65.7 22.53 11.59 Favored 'General case' 0 C--O 1.3 3.721 0 C-N-CA 126.243 1.817 . . . . 39.990000000000002 111.972 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -66.34 121.19 14.71 Favored 'General case' 0 N--CA 1.411 -2.416 0 O-C-N 117.062 -3.524 . . . . 24.460000000000001 111.914 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.67 32.69 12.36 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.547 1.139 . . . . 55.68 112.545 -170.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.77 10.43 86.2 Favored Glycine 1 N--CA 1.372 -5.596 0 N-CA-C 119.586 2.594 . . . . 15.470000000000001 119.586 177.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -97.46 109.19 21.99 Favored 'General case' 0 C--O 1.197 -1.661 0 CA-C-N 114.442 -0.879 . . . . 13.91 109.394 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.2 p -63.48 158.82 19.89 Favored 'General case' 0 C--O 1.281 2.762 0 O-C-N 125.829 1.956 . . . . 19.370000000000001 110.39 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.74 -37.44 65.92 Favored 'General case' 0 C--O 1.29 3.214 0 CA-C-O 117.119 -1.419 . . . . 18.32 114.163 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -41.07 97.83 Favored Glycine 0 N--CA 1.423 -2.187 0 CA-C-N 122.676 2.489 . . . . 11.73 112.657 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . 0.556 ' OD1' HG11 ' A' ' 120' ' ' VAL . 69.0 m-20 -52.04 -42.44 63.1 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 121.591 -0.946 . . . . 10.619999999999999 111.265 177.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -70.93 -40.62 71.97 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.267 -0.879 . . . . 16.02 111.797 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.18 -45.58 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.748 0 O-C-N 120.03 -1.669 . . . . 12.73 110.485 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.12 -43.8 91.98 Favored 'General case' 0 N--CA 1.425 -1.711 0 O-C-N 119.762 -1.836 . . . . 11.859999999999999 110.479 177.915 -174.469 -91.557 -93.505 103.663 2.032 103.118 -79.47 -57.127 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.65 94.41 Favored 'General case' 0 C--O 1.196 -1.74 0 O-C-N 124.858 1.348 . . . . 10.73 110.601 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.8 84.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.355 0.598 . . . . 9.5500000000000007 112.249 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 5.4 tptp -62.41 -49.88 73.73 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.356 -1.35 . . . . 22.829999999999998 107.356 178.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -75.73 -22.47 56.53 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 117.145 -1.407 . . . . 14.66 114.514 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -79.71 -43.73 22.11 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 119.32 0.964 . . . . 14.66 109.486 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -135.09 -4.54 2.41 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 119.957 -1.714 . . . . 13.050000000000001 111.227 -163.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.0 t30 55.37 35.02 24.12 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 122.659 2.481 . . . . 30.32 111.047 -169.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 22.1 m-85 66.08 23.8 11.01 Favored 'General case' 0 N--CA 1.511 2.577 0 C-N-CA 130.096 3.358 . . . . 13.49 116.11 175.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -108.58 121.7 45.53 Favored 'General case' 0 C--O 1.279 2.619 0 N-CA-C 105.717 -1.957 . . . . 15.779999999999999 105.717 -170.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -60.57 -19.65 58.14 Favored 'General case' 0 C--N 1.277 -2.553 0 O-C-N 120.615 -1.303 . . . . 14.130000000000001 112.781 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.87 2.42 55.43 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 120.628 -1.295 . . . . 12.949999999999999 113.67 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.03 129.83 43.75 Favored 'General case' 0 C--O 1.273 2.329 0 CA-C-N 119.375 0.989 . . . . 12.27 112.931 -170.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -129.53 145.26 51.48 Favored 'General case' 0 CA--C 1.452 -2.796 0 O-C-N 125.181 1.551 . . . . 15.449999999999999 109.821 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -140.8 134.91 30.87 Favored 'General case' 0 C--O 1.264 1.847 0 O-C-N 120.192 -1.568 . . . . 27.52 109.86 170.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -106.9 126.92 52.93 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 125.449 2.547 . . . . 35.93 111.86 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -93.73 158.02 15.88 Favored 'General case' 0 C--O 1.181 -2.521 0 CA-C-N 111.849 -2.432 . . . . 22.289999999999999 111.858 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -55.27 -36.51 66.18 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.515 -1.675 . . . . 40.079999999999998 114.81 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -71.33 -2.03 14.93 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 123.454 1.597 . . . . 21.710000000000001 113.296 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.74 -7.81 74.01 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 118.218 -2.801 . . . . 20.09 115.104 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -84.34 165.31 18.36 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 126.3 1.84 . . . . 14.529999999999999 110.189 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 m -129.41 145.65 51.38 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 123.713 1.72 . . . . 10.99 108.427 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 84.2 m-20 -100.73 136.19 40.98 Favored 'General case' 0 C--O 1.266 1.962 0 CA-C-N 113.331 -1.759 . . . . 12.890000000000001 108.146 176.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.2 m-85 -127.18 140.14 52.45 Favored 'General case' 0 C--O 1.295 3.451 0 O-C-N 124.207 0.942 . . . . 10.18 111.689 -170.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.78 -167.79 54.57 Favored Glycine 0 C--O 1.182 -3.129 0 CA-C-O 124.191 1.995 . . . . 10.49 115.88 163.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.37 -26.98 41.8 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 112.964 -1.618 . . . . 23.190000000000001 112.504 -168.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.45 15.03 17.95 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 124.42 2.057 . . . . 14.41 113.706 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 52.8 57.43 6.38 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 117.075 -3.516 . . . . 13.41 110.337 168.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 83' ' ' LEU . 72.9 mt -89.6 136.37 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 C-N-CA 126.71 2.004 . . . . 14.210000000000001 106.787 177.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -93.01 137.61 32.22 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 118.803 -2.435 . . . . 21.18 114.633 -175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 94.3 p -73.45 -10.37 59.66 Favored 'General case' 0 C--O 1.29 3.184 0 N-CA-C 115.842 1.793 . . . . 16.16 115.842 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -71.9 -30.06 64.99 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 120.314 1.416 . . . . 50.799999999999997 109.076 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -119.75 -33.5 3.99 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.23 -2.169 . . . . 51.810000000000002 116.531 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -109.37 -27.71 9.35 Favored 'General case' 0 N--CA 1.413 -2.289 0 O-C-N 117.892 -3.005 . . . . 18.600000000000001 117.979 -157.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.9 p -142.18 164.44 30.15 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-N 112.99 -1.914 . . . . 13.220000000000001 112.325 -175.114 73.341 87.752 96.908 97.399 1.931 110.982 -71.594 -61.991 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 303' ' ' HOH . 18.8 t-20 -102.47 122.62 44.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.107 -1.861 . . . . 23.75 110.15 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -113.53 0.43 14.67 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 111.061 -2.791 . . . . 15.58 113.091 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 2.12 38.21 Favored Glycine 1 CA--C 1.423 -5.677 0 CA-C-O 117.526 -1.708 . . . . 23.379999999999999 116.23 -177.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -134.32 20.77 3.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 123.159 3.479 . . . . 21.120000000000001 113.552 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -120.54 84.98 37.24 Favored Pre-proline 1 C--O 1.135 -4.954 0 N-CA-C 106.23 -1.767 . . . . 20.620000000000001 106.23 -178.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -57.11 135.09 68.55 Favored 'Trans proline' 0 CA--C 1.459 -3.232 0 N-CA-C 117.207 1.964 . . . . 31.969999999999999 117.207 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.58 8.44 87.52 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 113.376 -1.738 . . . . 41.090000000000003 111.014 172.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -85.34 169.37 13.78 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 108.614 -0.884 . . . . 29.02 108.614 -170.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -106.75 175.0 5.64 Favored 'General case' 1 C--O 1.327 5.182 0 CA-C-O 125.042 2.353 . . . . 56.149999999999999 105.315 176.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -141.67 69.73 1.33 Allowed 'General case' 0 C--N 1.255 -3.53 0 CA-C-N 111.955 -2.384 . . . . 19.82 105.952 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.49 -21.93 57.63 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-O 122.225 1.012 . . . . 24.59 112.139 -172.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -87.68 -5.5 58.67 Favored 'General case' 0 N--CA 1.409 -2.524 0 O-C-N 116.865 -3.647 . . . . 17.760000000000002 115.259 173.034 -71.121 173.812 88.689 101.191 2.024 106.23 50.152 -170.161 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 t30 55.98 46.52 21.74 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 125.548 2.594 . . . . 28.609999999999999 116.074 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . 0.976 ' CD1' HD21 ' A' ' 83' ' ' LEU . 18.0 tt -164.53 145.3 6.45 Favored Pre-proline 0 N--CA 1.408 -2.531 0 CA-C-N 111.543 -2.571 . . . . 25.23 112.378 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 82' ' ' ALA . 65.7 Cg_endo -65.44 141.56 68.25 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 114.194 -3.404 . . . . 13.4 109.153 169.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 72.5 m -58.7 -31.32 68.15 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 113.661 -1.609 . . . . 13.08 111.646 -175.39 -61.991 -71.594 96.908 110.982 1.931 97.399 87.752 73.341 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.7 p -54.6 -30.02 53.46 Favored 'General case' 0 C--O 1.292 3.291 0 N-CA-C 115.126 1.528 . . . . 18.600000000000001 115.126 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 78' ' ' ILE . . . -51.07 -40.88 59.36 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 118.884 -2.385 . . . . 14.039999999999999 116.073 174.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.976 HD21 ' CD1' ' A' ' 78' ' ' ILE . 72.5 mt -69.82 0.18 6.15 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.645 -0.707 . . . . 12.449999999999999 109.335 177.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.86 -1.89 25.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 118.105 -0.95 . . . . 17.66 112.791 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.2 p -59.49 151.88 23.11 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.874 1.435 . . . . 19.66 114.874 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 1' ' ' LYS . 70.4 p -62.1 -23.73 66.7 Favored 'General case' 0 N--CA 1.426 -1.649 0 O-C-N 119.571 -1.956 . . . . 23.59 114.319 166.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.4 114.89 25.48 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 105.694 -1.965 . . . . 34.130000000000003 105.694 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.4 pt -91.34 23.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.467 -2.244 0 N-CA-C 115.116 1.525 . . . . 17.449999999999999 115.116 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.03 -52.19 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.496 -1.378 . . . . 22.440000000000001 114.133 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.72 93.08 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 118.465 -1.294 . . . . 16.57 108.451 -173.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -58.71 -44.58 90.41 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.455 -0.778 . . . . 14.74 112.736 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.66 -47.38 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.644 0 CA-C-O 115.502 -2.19 . . . . 16.43 112.043 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -59.89 -41.19 91.07 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 120.725 1.602 . . . . 29.390000000000001 111.9 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.8 t -70.51 -35.65 73.33 Favored 'General case' 0 N--CA 1.425 -1.686 0 O-C-N 120.476 -1.39 . . . . 14.369999999999999 111.334 177.866 -170.161 50.152 88.689 106.23 2.024 101.191 173.812 -71.121 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.62 86.25 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.814 -1.804 . . . . 12.58 110.563 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.49 -39.15 86.68 Favored 'General case' 0 CA--C 1.491 -1.296 0 C-N-CA 120.161 -0.616 . . . . 21.98 110.248 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -67.05 -43.8 81.81 Favored 'General case' 0 C--O 1.264 1.836 0 O-C-N 119.981 -1.699 . . . . 34.369999999999997 109.034 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -49.58 82.51 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 O-C-N 118.226 -2.796 . . . . 15.73 109.026 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.83 -31.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 118.19 -0.91 . . . . 16.219999999999999 111.308 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 m -56.01 -20.67 17.58 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 107.149 -1.426 . . . . 19.390000000000001 107.149 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.5 -9.52 59.63 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 117.533 -1.223 . . . . 38.530000000000001 112.374 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.53 -37.11 2.03 Favored Glycine 0 C--O 1.252 1.238 0 CA-C-O 117.955 -1.469 . . . . 23.25 113.839 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -100.28 14.61 30.39 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.722 1.209 . . . . 32.840000000000003 110.988 -172.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 56.37 -144.5 36.6 Favored Glycine 0 N--CA 1.408 -3.19 0 O-C-N 120.822 -1.174 . . . . 13.33 113.357 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.4 mtp -74.92 -1.17 21.25 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 119.366 -0.934 . . . . 11.83 110.457 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -66.65 -13.14 60.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 119.812 -1.805 . . . . 14.06 110.714 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.99 46.82 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 121.445 1.929 . . . . 13.119999999999999 112.534 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -94.0 110.4 22.09 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 106.393 -1.706 . . . . 13.16 106.393 172.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.14 -41.12 85.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 116.622 -1.656 . . . . 17.68 111.734 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.267 -2.995 0 C-N-CA 115.653 -2.419 . . . . 12.99 113.334 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.83 -49.05 77.97 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-O 122.918 1.342 . . . . 12.68 112.057 167.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -61.46 -44.77 96.52 Favored 'General case' 0 N--CA 1.415 -2.215 0 O-C-N 120.217 -1.552 . . . . 28.34 109.859 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.03 -37.62 66.84 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 115.31 1.596 . . . . 13.27 115.31 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -123.31 -14.76 7.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.061 -1.65 . . . . 16.73 111.985 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 63.6 m -120.48 -39.67 2.75 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 122.276 2.307 . . . . 13.289999999999999 112.919 -175.96 -57.127 -79.47 -93.505 103.118 2.032 103.663 -91.557 -174.469 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -59.63 128.27 36.16 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 119.912 1.233 . . . . 15.34 107.789 -175.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.61 -6.6 72.71 Favored Glycine 0 N--CA 1.499 2.888 0 CA-C-N 113.829 -1.532 . . . . 26.050000000000001 114.465 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -95.98 174.68 6.81 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 124.744 2.211 . . . . 17.780000000000001 109.007 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 68.52 3.21 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 114.181 -1.372 . . . . 26.699999999999999 107.951 172.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 27' ' ' ASN . 20.1 m -66.62 -17.48 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.629 0 CA-C-N 112.712 -2.04 . . . . 18.399999999999999 109.145 -172.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.536 ' OE1' ' NE ' ' A' ' 125' ' ' ARG . 22.3 tm0? -57.25 -24.56 55.53 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 118.844 -1.142 . . . . 52.840000000000003 112.502 175.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.25 49.74 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 123.044 1.402 . . . . 23.719999999999999 113.542 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -70.68 -13.57 62.13 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 117.159 2.281 . . . . 22.09 117.159 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.1 pt -116.96 15.79 7.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 CA-C-O 116.845 -1.55 . . . . 27.460000000000001 111.093 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 121' ' ' GLN . 4.6 mtt85 -80.38 142.34 34.49 Favored 'General case' 0 CA--C 1.434 -3.503 0 CA-C-O 124.273 1.987 . . . . 53.119999999999997 107.462 -175.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.93 -25.34 8.84 Favored Glycine 0 N--CA 1.409 -3.128 0 C-N-CA 117.706 -2.187 . . . . 34.649999999999999 116.82 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.58 155.97 24.19 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 115.564 1.69 . . . . 22.91 115.564 -174.113 -53.429 -39.645 -79.525 104.464 2.006 99.377 -62.373 -70.632 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -90.39 105.09 17.58 Favored 'General case' 0 CA--C 1.481 -1.692 0 N-CA-C 107.574 -1.269 . . . . 51.649999999999999 107.574 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.494 1.733 0 O-C-N 124.986 1.428 . . . . 44.509999999999998 109.292 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . 0.424 ' O ' ' ND2' ' A' ' 65' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' HB2' ' OG ' ' A' ' 86' ' ' SER . 77.5 tttt . . . . . 0 N--CA 1.516 2.842 0 CA-C-O 121.376 0.608 . . . . 20.350000000000001 110.124 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.56 108.21 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.362 0 O-C-N 120.531 -1.356 . . . . 21.379999999999999 107.934 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -74.94 147.22 41.11 Favored 'General case' 1 C--O 1.148 -4.257 0 CA-C-O 126.885 3.231 . . . . 19.239999999999998 110.454 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 159.34 53.52 Favored Glycine 0 C--N 1.374 2.693 0 CA-C-N 110.125 -3.216 . . . . 18.379999999999999 111.257 159.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.24 -57.91 10.78 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 113.876 1.065 . . . . 30.18 113.876 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.88 -41.51 82.67 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.716 -1.24 . . . . 17.079999999999998 110.631 -177.52 -70.632 -62.373 -79.525 99.377 2.006 104.464 -39.645 -53.429 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -60.85 -41.0 94.97 Favored 'General case' 0 N--CA 1.415 -2.193 0 O-C-N 119.745 -1.847 . . . . 21.370000000000001 111.847 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 38' ' ' PHE . 60.1 tp -74.79 -34.98 62.51 Favored 'General case' 0 C--O 1.265 1.908 0 O-C-N 124.993 1.433 . . . . 15.050000000000001 110.239 176.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.68 76.23 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 125.943 2.027 . . . . 16.390000000000001 112.03 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.59 97.25 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 124.365 2.031 . . . . 19.350000000000001 115.047 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.8 91.58 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 111.85 -2.432 . . . . 16.140000000000001 112.346 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 mtt -59.67 -38.34 81.23 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.131 0.973 . . . . 17.149999999999999 112.195 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.84 -45.49 78.06 Favored 'General case' 0 C--O 1.286 2.986 0 N-CA-C 107.003 -1.48 . . . . 38.619999999999997 107.003 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -63.07 -28.27 69.97 Favored 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 115.748 1.758 . . . . 38.530000000000001 115.748 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -91.78 12.94 19.73 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 114.551 1.315 . . . . 29.859999999999999 114.551 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 23.46 52.07 Favored Glycine 0 N--CA 1.413 -2.874 0 N-CA-C 115.675 1.03 . . . . 21.210000000000001 115.675 166.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.5 mt -81.87 -19.45 40.91 Favored 'General case' 0 CA--C 1.455 -2.703 0 N-CA-C 117.227 2.306 . . . . 18.629999999999999 117.227 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -69.05 119.3 13.12 Favored 'General case' 0 N--CA 1.386 -3.651 0 O-C-N 117.73 -3.106 . . . . 36.369999999999997 110.625 -176.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 65.7 22.53 11.59 Favored 'General case' 0 C--O 1.3 3.721 0 C-N-CA 126.243 1.817 . . . . 39.990000000000002 111.972 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -66.34 121.19 14.71 Favored 'General case' 0 N--CA 1.411 -2.416 0 O-C-N 117.062 -3.524 . . . . 24.460000000000001 111.914 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.67 32.69 12.36 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.547 1.139 . . . . 55.68 112.545 -170.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.77 10.43 86.2 Favored Glycine 1 N--CA 1.372 -5.596 0 N-CA-C 119.586 2.594 . . . . 15.470000000000001 119.586 177.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -97.46 109.19 21.99 Favored 'General case' 0 C--O 1.197 -1.661 0 CA-C-N 114.442 -0.879 . . . . 13.91 109.394 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.2 p -63.48 158.82 19.89 Favored 'General case' 0 C--O 1.281 2.762 0 O-C-N 125.829 1.956 . . . . 19.370000000000001 110.39 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.74 -37.44 65.92 Favored 'General case' 0 C--O 1.29 3.214 0 CA-C-O 117.119 -1.419 . . . . 18.32 114.163 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -41.07 97.83 Favored Glycine 0 N--CA 1.423 -2.187 0 CA-C-N 122.676 2.489 . . . . 11.73 112.657 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.556 ' OD1' HG11 ' A' ' 120' ' ' VAL . 69.0 m-20 -52.04 -42.44 63.1 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 121.591 -0.946 . . . . 10.619999999999999 111.265 177.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -70.93 -40.62 71.97 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.267 -0.879 . . . . 16.02 111.797 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.18 -45.58 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.748 0 O-C-N 120.03 -1.669 . . . . 12.73 110.485 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.12 -43.8 91.98 Favored 'General case' 0 N--CA 1.425 -1.711 0 O-C-N 119.762 -1.836 . . . . 11.859999999999999 110.479 177.915 -174.469 -91.557 -93.505 103.663 2.032 103.118 -79.47 -57.127 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.65 94.41 Favored 'General case' 0 C--O 1.196 -1.74 0 O-C-N 124.858 1.348 . . . . 10.73 110.601 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.8 84.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.355 0.598 . . . . 9.5500000000000007 112.249 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 5.4 tptp -62.41 -49.88 73.73 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.356 -1.35 . . . . 22.829999999999998 107.356 178.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -75.73 -22.47 56.53 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 117.145 -1.407 . . . . 14.66 114.514 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -79.71 -43.73 22.11 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 119.32 0.964 . . . . 14.66 109.486 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -135.09 -4.54 2.41 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 119.957 -1.714 . . . . 13.050000000000001 111.227 -163.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.0 t30 55.37 35.02 24.12 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 122.659 2.481 . . . . 30.32 111.047 -169.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 22.1 m-85 66.08 23.8 11.01 Favored 'General case' 0 N--CA 1.511 2.577 0 C-N-CA 130.096 3.358 . . . . 13.49 116.11 175.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -108.58 121.7 45.53 Favored 'General case' 0 C--O 1.279 2.619 0 N-CA-C 105.717 -1.957 . . . . 15.779999999999999 105.717 -170.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -60.57 -19.65 58.14 Favored 'General case' 0 C--N 1.277 -2.553 0 O-C-N 120.615 -1.303 . . . . 14.130000000000001 112.781 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.87 2.42 55.43 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 120.628 -1.295 . . . . 12.949999999999999 113.67 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.03 129.83 43.75 Favored 'General case' 0 C--O 1.273 2.329 0 CA-C-N 119.375 0.989 . . . . 12.27 112.931 -170.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -129.53 145.26 51.48 Favored 'General case' 0 CA--C 1.452 -2.796 0 O-C-N 125.181 1.551 . . . . 15.449999999999999 109.821 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -140.8 134.91 30.87 Favored 'General case' 0 C--O 1.264 1.847 0 O-C-N 120.192 -1.568 . . . . 27.52 109.86 170.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -106.9 126.92 52.93 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 125.449 2.547 . . . . 35.93 111.86 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -93.73 158.02 15.88 Favored 'General case' 0 C--O 1.181 -2.521 0 CA-C-N 111.849 -2.432 . . . . 22.289999999999999 111.858 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -55.27 -36.51 66.18 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.515 -1.675 . . . . 40.079999999999998 114.81 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -71.33 -2.03 14.93 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 123.454 1.597 . . . . 21.710000000000001 113.296 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.74 -7.81 74.01 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 118.218 -2.801 . . . . 20.09 115.104 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -84.34 165.31 18.36 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 126.3 1.84 . . . . 14.529999999999999 110.189 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 m -129.41 145.65 51.38 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 123.713 1.72 . . . . 10.99 108.427 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 84.2 m-20 -100.73 136.19 40.98 Favored 'General case' 0 C--O 1.266 1.962 0 CA-C-N 113.331 -1.759 . . . . 12.890000000000001 108.146 176.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 80' ' ' CYS . 86.2 m-85 -127.18 140.14 52.45 Favored 'General case' 0 C--O 1.295 3.451 0 O-C-N 124.207 0.942 . . . . 10.18 111.689 -170.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.78 -167.79 54.57 Favored Glycine 0 C--O 1.182 -3.129 0 CA-C-O 124.191 1.995 . . . . 10.49 115.88 163.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.37 -26.98 41.8 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 112.964 -1.618 . . . . 23.190000000000001 112.504 -168.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.45 15.03 17.95 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 124.42 2.057 . . . . 14.41 113.706 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 52.8 57.43 6.38 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 117.075 -3.516 . . . . 13.41 110.337 168.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 83' ' ' LEU . 72.9 mt -89.6 136.37 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 C-N-CA 126.71 2.004 . . . . 14.210000000000001 106.787 177.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 61' ' ' ARG . 9.5 t30 -93.01 137.61 32.22 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 118.803 -2.435 . . . . 21.18 114.633 -175.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 94.3 p -73.45 -10.37 59.66 Favored 'General case' 0 C--O 1.29 3.184 0 N-CA-C 115.842 1.793 . . . . 16.16 115.842 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 33.5 ttm-85 -71.9 -30.06 64.99 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 120.314 1.416 . . . . 50.799999999999997 109.076 179.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -119.75 -33.5 3.99 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.23 -2.169 . . . . 51.810000000000002 116.531 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -109.37 -27.71 9.35 Favored 'General case' 0 N--CA 1.413 -2.289 0 O-C-N 117.892 -3.005 . . . . 18.600000000000001 117.979 -157.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.9 p -142.18 164.44 30.15 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-N 112.99 -1.914 . . . . 13.220000000000001 112.325 -175.114 73.341 87.752 96.908 97.399 1.931 110.982 -71.594 -61.991 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 303' ' ' HOH . 18.8 t-20 -102.47 122.62 44.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.107 -1.861 . . . . 23.75 110.15 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -113.53 0.43 14.67 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 111.061 -2.791 . . . . 15.58 113.091 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 2.12 38.21 Favored Glycine 1 CA--C 1.423 -5.677 0 CA-C-O 117.526 -1.708 . . . . 23.379999999999999 116.23 -177.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -134.32 20.77 3.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 123.159 3.479 . . . . 21.120000000000001 113.552 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -120.54 84.98 37.24 Favored Pre-proline 1 C--O 1.135 -4.954 0 N-CA-C 106.23 -1.767 . . . . 20.620000000000001 106.23 -178.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -57.11 135.09 68.55 Favored 'Trans proline' 0 CA--C 1.459 -3.232 0 N-CA-C 117.207 1.964 . . . . 31.969999999999999 117.207 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.58 8.44 87.52 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 113.376 -1.738 . . . . 41.090000000000003 111.014 172.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -85.34 169.37 13.78 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 108.614 -0.884 . . . . 29.02 108.614 -170.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -106.75 175.0 5.64 Favored 'General case' 1 C--O 1.327 5.182 0 CA-C-O 125.042 2.353 . . . . 56.149999999999999 105.315 176.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -141.67 69.73 1.33 Allowed 'General case' 0 C--N 1.255 -3.53 0 CA-C-N 111.955 -2.384 . . . . 19.82 105.952 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.49 -21.93 57.63 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-O 122.225 1.012 . . . . 24.59 112.139 -172.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -87.68 -5.5 58.67 Favored 'General case' 0 N--CA 1.409 -2.524 0 O-C-N 116.865 -3.647 . . . . 17.760000000000002 115.259 173.034 -71.121 173.812 88.689 101.191 2.024 106.23 50.152 -170.161 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 t30 55.98 46.52 21.74 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 125.548 2.594 . . . . 28.609999999999999 116.074 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.976 ' CD1' HD21 ' A' ' 83' ' ' LEU . 18.0 tt -164.53 145.3 6.45 Favored Pre-proline 0 N--CA 1.408 -2.531 0 CA-C-N 111.543 -2.571 . . . . 25.23 112.378 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 82' ' ' ALA . 65.7 Cg_endo -65.44 141.56 68.25 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 114.194 -3.404 . . . . 13.4 109.153 169.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 72.5 m -58.7 -31.32 68.15 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 113.661 -1.609 . . . . 13.08 111.646 -175.39 -61.991 -71.594 96.908 110.982 1.931 97.399 87.752 73.341 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.7 p -54.6 -30.02 53.46 Favored 'General case' 0 C--O 1.292 3.291 0 N-CA-C 115.126 1.528 . . . . 18.600000000000001 115.126 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 78' ' ' ILE . . . -51.07 -40.88 59.36 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 118.884 -2.385 . . . . 14.039999999999999 116.073 174.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.976 HD21 ' CD1' ' A' ' 78' ' ' ILE . 72.5 mt -69.82 0.18 6.15 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.645 -0.707 . . . . 12.449999999999999 109.335 177.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.86 -1.89 25.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 118.105 -0.95 . . . . 17.66 112.791 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.2 p -59.49 151.88 23.11 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.874 1.435 . . . . 19.66 114.874 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 1' ' ' LYS . 70.4 p -62.1 -23.73 66.7 Favored 'General case' 0 N--CA 1.426 -1.649 0 O-C-N 119.571 -1.956 . . . . 23.59 114.319 166.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.4 114.89 25.48 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 105.694 -1.965 . . . . 34.130000000000003 105.694 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.4 pt -91.34 23.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.467 -2.244 0 N-CA-C 115.116 1.525 . . . . 17.449999999999999 115.116 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.03 -52.19 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.496 -1.378 . . . . 22.440000000000001 114.133 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.72 93.08 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 118.465 -1.294 . . . . 16.57 108.451 -173.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -58.71 -44.58 90.41 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.455 -0.778 . . . . 14.74 112.736 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.66 -47.38 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.644 0 CA-C-O 115.502 -2.19 . . . . 16.43 112.043 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -59.89 -41.19 91.07 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 120.725 1.602 . . . . 29.390000000000001 111.9 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.8 t -70.51 -35.65 73.33 Favored 'General case' 0 N--CA 1.425 -1.686 0 O-C-N 120.476 -1.39 . . . . 14.369999999999999 111.334 177.866 -170.161 50.152 88.689 106.23 2.024 101.191 173.812 -71.121 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.62 86.25 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.814 -1.804 . . . . 12.58 110.563 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.49 -39.15 86.68 Favored 'General case' 0 CA--C 1.491 -1.296 0 C-N-CA 120.161 -0.616 . . . . 21.98 110.248 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -67.05 -43.8 81.81 Favored 'General case' 0 C--O 1.264 1.836 0 O-C-N 119.981 -1.699 . . . . 34.369999999999997 109.034 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -49.58 82.51 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 O-C-N 118.226 -2.796 . . . . 15.73 109.026 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.83 -31.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 118.19 -0.91 . . . . 16.219999999999999 111.308 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 m -56.01 -20.67 17.58 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 107.149 -1.426 . . . . 19.390000000000001 107.149 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -79.5 -9.52 59.63 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 117.533 -1.223 . . . . 38.530000000000001 112.374 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.53 -37.11 2.03 Favored Glycine 0 C--O 1.252 1.238 0 CA-C-O 117.955 -1.469 . . . . 23.25 113.839 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -100.28 14.61 30.39 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.722 1.209 . . . . 32.840000000000003 110.988 -172.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 56.37 -144.5 36.6 Favored Glycine 0 N--CA 1.408 -3.19 0 O-C-N 120.822 -1.174 . . . . 13.33 113.357 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.4 mtp -74.92 -1.17 21.25 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 119.366 -0.934 . . . . 11.83 110.457 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -66.65 -13.14 60.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 119.812 -1.805 . . . . 14.06 110.714 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.99 46.82 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 121.445 1.929 . . . . 13.119999999999999 112.534 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -94.0 110.4 22.09 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 106.393 -1.706 . . . . 13.16 106.393 172.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.14 -41.12 85.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 116.622 -1.656 . . . . 17.68 111.734 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.267 -2.995 0 C-N-CA 115.653 -2.419 . . . . 12.99 113.334 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.83 -49.05 77.97 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-O 122.918 1.342 . . . . 12.68 112.057 167.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -61.46 -44.77 96.52 Favored 'General case' 0 N--CA 1.415 -2.215 0 O-C-N 120.217 -1.552 . . . . 28.34 109.859 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.03 -37.62 66.84 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 115.31 1.596 . . . . 13.27 115.31 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -123.31 -14.76 7.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.061 -1.65 . . . . 16.73 111.985 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 63.6 m -120.48 -39.67 2.75 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 122.276 2.307 . . . . 13.289999999999999 112.919 -175.96 -57.127 -79.47 -93.505 103.118 2.032 103.663 -91.557 -174.469 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -59.63 128.27 36.16 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 119.912 1.233 . . . . 15.34 107.789 -175.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.61 -6.6 72.71 Favored Glycine 0 N--CA 1.499 2.888 0 CA-C-N 113.829 -1.532 . . . . 26.050000000000001 114.465 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -95.98 174.68 6.81 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 124.744 2.211 . . . . 17.780000000000001 109.007 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 68.52 3.21 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 114.181 -1.372 . . . . 26.699999999999999 107.951 172.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 27' ' ' ASN . 20.1 m -66.62 -17.48 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.629 0 CA-C-N 112.712 -2.04 . . . . 18.399999999999999 109.145 -172.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.536 ' OE1' ' NE ' ' A' ' 125' ' ' ARG . 22.3 tm0? -57.25 -24.56 55.53 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 118.844 -1.142 . . . . 52.840000000000003 112.502 175.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.25 49.74 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 123.044 1.402 . . . . 23.719999999999999 113.542 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -70.68 -13.57 62.13 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 117.159 2.281 . . . . 22.09 117.159 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.1 pt -116.96 15.79 7.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 CA-C-O 116.845 -1.55 . . . . 27.460000000000001 111.093 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 121' ' ' GLN . 4.6 mtt85 -80.38 142.34 34.49 Favored 'General case' 0 CA--C 1.434 -3.503 0 CA-C-O 124.273 1.987 . . . . 53.119999999999997 107.462 -175.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.93 -25.34 8.84 Favored Glycine 0 N--CA 1.409 -3.128 0 C-N-CA 117.706 -2.187 . . . . 34.649999999999999 116.82 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.58 155.97 24.19 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 115.564 1.69 . . . . 22.91 115.564 -174.113 -53.429 -39.645 -79.525 104.464 2.006 99.377 -62.373 -70.632 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -90.39 105.09 17.58 Favored 'General case' 0 CA--C 1.481 -1.692 0 N-CA-C 107.574 -1.269 . . . . 51.649999999999999 107.574 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.494 1.733 0 O-C-N 124.986 1.428 . . . . 44.509999999999998 109.292 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.424 ' O ' ' ND2' ' A' ' 65' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_