data_2hf1_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 2hf1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.755 0.312 . . . . 42.07 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 127.59 33.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.806 -0.813 . . . . 40.63 108.806 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' NZ ' ' NZ ' ' B' ' 60' ' ' LYS . 9.5 ptpt -139.64 167.43 22.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 46.11 111.725 179.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.17 107.64 20.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.403 -0.817 . . . . 29.8 113.069 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.8 mt -131.11 122.35 26.52 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.877 -1.157 . . . . 23.8 107.877 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -139.76 133.16 30.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.207 -0.597 . . . . 31.11 111.936 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 tt -68.79 138.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 108.096 -1.075 . . . . 26.66 108.096 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 mt -96.28 77.83 3.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.895 1.072 . . . . 19.11 113.895 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.2 156.21 42.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.894 -1.891 . . . . 20.57 105.894 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.83 130.03 90.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.26 -0.644 . . . . 24.7 109.26 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -60.46 -11.57 17.29 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 120.781 0.987 . . . . 35.73 114.112 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -99.73 -68.2 0.82 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.04 1.496 . . . . 39.49 115.04 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.96 -7.52 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.146 1.165 . . . . 33.37 114.146 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 65.0 21.2 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.641 0.608 . . . . 47.15 112.641 -178.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.71 168.87 34.89 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.486 -0.864 . . . . 27.88 111.508 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.03 157.83 60.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.499 2.132 . . . . 26.42 112.568 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 mt -113.49 149.58 34.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 22.76 111.426 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.5 t -101.76 126.23 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.282 -1.007 . . . . 23.21 108.282 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.89 124.63 29.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.715 -0.394 . . . . 24.12 110.796 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.41 105.31 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.93 -1.507 . . . . 27.96 106.93 178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.32 -44.31 97.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.702 1.001 . . . . 45.31 113.702 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.7 p -63.57 -35.76 81.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.652 1.723 . . . . 39.74 115.652 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -107.03 3.22 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.586 -0.446 . . . . 42.72 111.963 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 42.79 61.85 1.96 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.918 0.866 . . . . 46.65 109.383 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -137.93 161.34 36.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.968 -1.014 . . . . 29.81 109.767 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -115.6 117.69 31.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.033 -2.58 . . . . 19.83 104.033 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.11 137.12 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 116.611 2.078 . . . . 21.84 116.611 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.58 109.11 20.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.207 -2.516 . . . . 24.43 104.207 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -59.22 -53.34 59.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.585 . . . . 43.09 111.86 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -27.31 57.46 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 117.386 1.714 . . . . 36.07 117.386 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -107.9 -6.0 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.619 0.6 . . . . 33.6 112.619 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . 54.87 50.54 15.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 30.36 110.642 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -129.68 146.59 51.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.3 -0.864 . . . . 30.61 109.325 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.82 122.81 41.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.414 -0.958 . . . . 24.99 108.414 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.73 140.27 21.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -82.45 156.67 16.64 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 N-CA-C 114.974 1.105 . . . . 23.12 114.974 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.7 mt -116.49 112.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 101.981 -3.34 . . . . 28.43 101.981 176.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.06 128.3 56.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.494 -0.321 . . . . 37.84 110.36 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . 54.68 38.12 29.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 36.46 108.711 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 247' ' ' HOH . . . 72.76 12.41 78.26 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.792 -0.718 . . . . 35.2 114.222 -179.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.2 mt -116.85 115.09 39.14 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 114.167 1.173 . . . . 34.86 114.167 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -62.92 123.76 12.83 Favored 'Trans proline' 0 C--O 1.235 0.36 0 N-CA-C 109.997 -0.809 . . . . 27.08 109.997 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' MSE . . . . . . . . . . . . . 85.1 mmm -89.53 82.51 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 42.6 110.562 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MSE . . . . . . . . . . . . . 29.3 mmt -75.38 66.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.419 0.896 . . . . 43.84 113.419 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.2 mt -136.31 131.93 35.01 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.557 -0.534 . . . . 29.09 109.557 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 242' ' ' HOH . 30.1 tt0 -53.57 -41.68 66.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 44.38 111.457 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.1 p -58.46 -27.17 64.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.945 1.091 . . . . 26.92 113.945 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.5 -18.35 33.78 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 114.508 1.299 . . . . 30.79 114.508 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.81 145.91 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 115.533 1.679 . . . . 32.29 115.533 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.28 143.4 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.168 -1.789 . . . . 51.35 106.168 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.17 145.55 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.509 -1.293 . . . . 52.42 107.509 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.61 148.54 35.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.353 0.597 . . . . 40.2 110.386 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.25 160.77 56.54 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 102.116 -3.29 . . . . 46.59 102.116 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -71.81 -19.22 27.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 C-N-CA 116.595 -1.803 . . . . 49.92 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.53 -14.42 61.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.88 -1.156 . . . . 54.69 107.88 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.36 -27.35 14.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.767 -0.651 . . . . 49.42 111.59 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.97 -24.44 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.134 -0.691 . . . . 58.39 109.134 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 227' ' ' HOH . 20.2 m -56.89 -43.43 80.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 115.203 1.557 . . . . 52.94 115.203 -179.27 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' NZ ' ' O ' ' A' ' 238' ' ' HOH . 59.9 pttt -74.09 -16.0 61.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 116.61 2.078 . . . . 56.04 116.61 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.3 mt -94.05 -1.45 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.433 -2.432 . . . . 50.49 104.433 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 115.011 1.485 . . . . 51.77 115.011 179.585 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.333 -1.358 . . . . 31.89 107.333 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -90.0 114.55 26.43 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.979 0.8 . . . . 36.85 112.803 -178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -142.12 128.48 19.99 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 106.31 -1.737 . . . . 36.03 106.31 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' B' ' 252' ' ' HOH . 9.5 pt-20 -141.98 135.34 29.22 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.56 0.695 . . . . 36.3 110.699 -179.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.18 136.63 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.628 -1.619 . . . . 31.63 106.628 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.02 77.49 3.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.76 1.022 . . . . 23.07 113.76 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.4 156.13 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.357 -1.72 . . . . 21.69 106.357 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.27 129.65 94.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.065 -1.087 . . . . 21.45 108.065 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.49 -17.91 48.92 Favored 'Trans proline' 0 C--O 1.233 0.274 0 N-CA-C 114.089 0.765 . . . . 29.62 114.089 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.3 -62.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.522 0.934 . . . . 41.94 113.522 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -96.27 -9.61 29.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.509 0.929 . . . . 27.87 113.509 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 69.24 16.51 8.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.49 0.662 . . . . 37.21 111.056 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.66 160.92 34.67 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.572 -0.823 . . . . 20.43 114.043 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -63.25 161.59 30.0 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 121.795 1.664 . . . . 24.87 112.252 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.35 154.67 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.318 0.58 . . . . 19.41 112.333 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 91.8 t -108.72 123.6 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.001 -1.0 . . . . 17.57 108.446 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -79.77 123.02 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.56 -0.533 . . . . 25.69 109.56 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.16 102.08 11.52 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 105.593 -2.002 . . . . 25.39 105.593 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.92 -40.47 96.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.437 1.644 . . . . 40.07 115.437 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.3 p -61.86 -36.76 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.105 1.15 . . . . 31.39 114.105 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -102.97 -12.01 17.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.134 -0.627 . . . . 40.23 111.835 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 t0 62.77 53.3 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.389 -0.823 . . . . 43.11 111.006 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.76 163.19 31.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 24.01 110.058 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -109.62 122.93 48.54 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 105.402 -2.073 . . . . 17.45 105.402 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 58.0 mt -108.86 137.36 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 116.757 2.132 . . . . 22.73 116.757 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.9 t -105.08 109.21 21.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.278 -2.49 . . . . 20.61 104.278 175.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.41 -49.28 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.04 -0.264 . . . . 38.26 111.291 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . 0.403 ' O ' ' NH1' ' B' ' 33' ' ' ARG . . . -50.95 -49.48 42.13 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 115.822 1.089 . . . . 31.95 115.822 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -89.65 -5.56 56.99 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.478 0.918 . . . . 35.12 113.478 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' B' ' 31' ' ' GLY . 10.6 mpt_? 58.0 39.51 26.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.096 0.474 . . . . 52.46 110.856 -179.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 70.9 mt -115.0 145.71 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 27.33 110.893 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.22 116.12 22.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.999 -0.741 . . . . 21.98 108.999 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -90.31 138.74 26.98 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 19.34 111.151 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -80.09 158.71 23.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 121.996 1.797 . . . . 20.21 113.69 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -121.41 108.98 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 104.518 -2.401 . . . . 29.84 104.518 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.18 113.97 27.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 45.06 109.973 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 53.85 47.02 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 49.73 110.73 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 1.25 74.94 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 115.637 1.015 . . . . 40.64 115.637 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -108.33 114.84 58.93 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 114.772 1.397 . . . . 37.81 114.772 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -63.61 121.97 9.92 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 120.925 1.084 . . . . 26.92 110.128 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' MSE . . . . . . . . . . . . . 82.1 mmm -89.73 84.22 6.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.513 -0.921 . . . . 42.62 108.513 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' MSE . . . . . . . . . . . . . 47.2 mmm -78.48 57.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 115.035 1.494 . . . . 41.89 115.035 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.2 mt -125.37 132.69 52.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.702 -1.962 . . . . 29.38 105.702 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.04 -32.34 66.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.365 -0.534 . . . . 39.66 111.215 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -68.09 -19.01 64.82 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.743 1.016 . . . . 25.15 113.743 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -91.26 -16.23 27.92 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.887 1.069 . . . . 32.5 113.887 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.85 153.17 38.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 115.764 1.764 . . . . 30.44 115.764 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -116.65 155.39 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.316 -1.735 . . . . 31.98 106.316 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.84 137.42 32.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.278 -1.008 . . . . 47.3 108.278 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.26 138.28 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.005 -0.369 . . . . 39.92 110.005 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 154.67 93.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 106.129 -1.804 . . . . 48.55 106.129 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -55.07 -22.57 31.88 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 120.706 0.937 . . . . 52.3 113.031 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -78.76 -26.35 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 59.81 112.058 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.19 -31.03 49.32 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 51.22 109.739 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.08 -44.2 82.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.465 0.913 . . . . 59.03 113.465 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 t -43.25 -52.95 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 116.3 1.963 . . . . 53.96 116.3 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' B' ' 235' ' ' HOH . 12.2 ptpt -60.95 -11.79 9.18 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.968 1.84 . . . . 58.82 115.968 -177.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . 0.555 ' N ' ' O ' ' B' ' 235' ' ' HOH . 93.5 mt -89.17 -7.21 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.124 0.488 . . . . 49.93 109.771 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.801 -1.095 . . . . 52.04 110.785 179.147 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . 0.415 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . 0.566 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . 0.555 ' O ' ' N ' ' B' ' 61' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . 0.465 ' O ' ' OE1' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.755 0.312 . . . . 42.07 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 127.59 33.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.806 -0.813 . . . . 40.630000000000003 108.806 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.762 ' HD2' ' HD3' ' B' ' 60' ' ' LYS . 9.5 ptpt -139.64 167.43 22.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 46.109999999999999 111.725 179.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t80 -97.17 107.64 20.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.403 -0.817 . . . . 29.800000000000001 113.069 -178.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' B' ' 21' ' ' ASP . 98.8 mt -131.11 122.35 26.52 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.877 -1.157 . . . . 23.800000000000001 107.877 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 16.0 pt-20 -139.76 133.16 30.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.207 -0.597 . . . . 31.109999999999999 111.936 178.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 tt -68.79 138.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 108.096 -1.075 . . . . 26.66 108.096 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 mt -96.28 77.83 3.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.895 1.072 . . . . 19.109999999999999 113.895 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.2 156.21 42.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.894 -1.891 . . . . 20.57 105.894 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.83 130.03 90.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.26 -0.644 . . . . 24.699999999999999 109.26 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 89.6 Cg_endo -60.46 -11.57 17.29 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 120.781 0.987 . . . . 35.729999999999997 114.112 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -99.73 -68.2 0.82 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.04 1.496 . . . . 39.490000000000002 115.04 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.96 -7.52 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.146 1.165 . . . . 33.369999999999997 114.146 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 257' ' ' HOH . 1.0 OUTLIER 65.0 21.2 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.641 0.608 . . . . 47.149999999999999 112.641 -178.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.71 168.87 34.89 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.486 -0.864 . . . . 27.879999999999999 111.508 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.03 157.83 60.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.499 2.132 . . . . 26.420000000000002 112.568 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 mt -113.49 149.58 34.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 22.760000000000002 111.426 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG22 HG12 ' B' ' 8' ' ' ILE . 67.5 t -101.76 126.23 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.282 -1.007 . . . . 23.210000000000001 108.282 179.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.89 124.63 29.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.715 -0.394 . . . . 24.120000000000001 110.796 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . 0.708 ' HA ' ' CD2' ' B' ' 6' ' ' LEU . 40.0 t0 -106.41 105.31 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.93 -1.507 . . . . 27.960000000000001 106.93 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' HE3' HD11 ' B' ' 42' ' ' ILE . 86.3 tttt -61.32 -44.31 97.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.702 1.001 . . . . 45.310000000000002 113.702 -179.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.7 p -63.57 -35.76 81.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.652 1.723 . . . . 39.740000000000002 115.652 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 65.7 mttm -107.03 3.22 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.586 -0.446 . . . . 42.719999999999999 111.963 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 42.79 61.85 1.96 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.918 0.866 . . . . 46.649999999999999 109.383 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 64.8 mt-10 -137.93 161.34 36.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.968 -1.014 . . . . 29.809999999999999 109.767 179.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 43' ' ' PRO . 73.6 mt -115.6 117.69 31.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.033 -2.58 . . . . 19.829999999999998 104.033 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.11 137.12 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 116.611 2.078 . . . . 21.84 116.611 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.58 109.11 20.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.207 -2.516 . . . . 24.43 104.207 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -59.22 -53.34 59.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.585 . . . . 43.090000000000003 111.86 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -27.31 57.46 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 117.386 1.714 . . . . 36.07 117.386 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -107.9 -6.0 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.619 0.6 . . . . 33.600000000000001 112.619 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . 54.87 50.54 15.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 30.359999999999999 110.642 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -129.68 146.59 51.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.3 -0.864 . . . . 30.609999999999999 109.325 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.82 122.81 41.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.414 -0.958 . . . . 24.989999999999998 108.414 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 63.0 m-85 -97.73 140.27 21.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -82.45 156.67 16.64 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 N-CA-C 114.974 1.105 . . . . 23.120000000000001 114.974 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.7 mt -116.49 112.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 101.981 -3.34 . . . . 28.43 101.981 176.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.06 128.3 56.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.494 -0.321 . . . . 37.840000000000003 110.36 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . 54.68 38.12 29.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 36.460000000000001 108.711 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.76 12.41 78.26 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.792 -0.718 . . . . 35.200000000000003 114.222 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' B' ' 22' ' ' LYS . 67.2 mt -116.85 115.09 39.14 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 114.167 1.173 . . . . 34.859999999999999 114.167 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD12 ' A' ' 27' ' ' LEU . 96.4 Cg_exo -62.92 123.76 12.83 Favored 'Trans proline' 0 C--O 1.235 0.36 0 N-CA-C 109.997 -0.809 . . . . 27.079999999999998 109.997 179.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' MSE . . . . . . . . . . . . . 85.1 mmm -89.53 82.51 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 42.600000000000001 110.562 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MSE . . . . . . . . . . . . . 29.3 mmt -75.38 66.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.419 0.896 . . . . 43.840000000000003 113.419 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.2 mt -136.31 131.93 35.01 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.557 -0.534 . . . . 29.09 109.557 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -53.57 -41.68 66.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 44.380000000000003 111.457 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.1 p -58.46 -27.17 64.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.945 1.091 . . . . 26.920000000000002 113.945 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.5 -18.35 33.78 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 114.508 1.299 . . . . 30.789999999999999 114.508 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . . . -70.81 145.91 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 115.533 1.679 . . . . 32.289999999999999 115.533 -178.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.28 143.4 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.168 -1.789 . . . . 51.350000000000001 106.168 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.17 145.55 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.509 -1.293 . . . . 52.420000000000002 107.509 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.61 148.54 35.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.353 0.597 . . . . 40.200000000000003 110.386 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.25 160.77 56.54 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 102.116 -3.29 . . . . 46.590000000000003 102.116 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -71.81 -19.22 27.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 C-N-CA 116.595 -1.803 . . . . 49.920000000000002 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 59' ' ' VAL . 3.9 pt-20 -72.53 -14.42 61.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.88 -1.156 . . . . 54.689999999999998 107.88 178.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.36 -27.35 14.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.767 -0.651 . . . . 49.420000000000002 111.59 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.97 -24.44 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.134 -0.691 . . . . 58.390000000000001 109.134 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 56' ' ' GLU . 20.2 m -56.89 -43.43 80.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 115.203 1.557 . . . . 52.939999999999998 115.203 -179.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 238' ' ' HOH . 59.9 pttt -74.09 -16.0 61.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 116.61 2.078 . . . . 56.039999999999999 116.61 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 42.3 mt -94.05 -1.45 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.433 -2.432 . . . . 50.490000000000002 104.433 178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 20.8 mt-10 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 115.011 1.485 . . . . 51.770000000000003 115.011 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.333 -1.358 . . . . 31.890000000000001 107.333 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . 0.464 ' CE1' ' HG2' ' B' ' 7' ' ' GLU . 38.7 t80 -90.0 114.55 26.43 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.979 0.8 . . . . 36.850000000000001 112.803 -178.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . 0.708 ' CD2' ' HA ' ' A' ' 21' ' ' ASP . 97.4 mt -142.12 128.48 19.99 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 106.31 -1.737 . . . . 36.030000000000001 106.31 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . 0.649 ' HB2' ' O ' ' B' ' 252' ' ' HOH . 9.5 pt-20 -141.98 135.34 29.22 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.56 0.695 . . . . 36.299999999999997 110.699 -179.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 19' ' ' VAL . 89.5 mt -69.18 136.63 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.628 -1.619 . . . . 31.629999999999999 106.628 179.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.02 77.49 3.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.76 1.022 . . . . 23.07 113.76 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.4 156.13 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.357 -1.72 . . . . 21.690000000000001 106.357 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.27 129.65 94.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.065 -1.087 . . . . 21.449999999999999 108.065 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.49 -17.91 48.92 Favored 'Trans proline' 0 C--O 1.233 0.274 0 N-CA-C 114.089 0.765 . . . . 29.620000000000001 114.089 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 0.807 HD21 ' CD ' ' B' ' 47' ' ' GLU . 45.4 mt -82.3 -62.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.522 0.934 . . . . 41.939999999999998 113.522 -179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -96.27 -9.61 29.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.509 0.929 . . . . 27.870000000000001 113.509 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 69.24 16.51 8.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.49 0.662 . . . . 37.210000000000001 111.056 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.66 160.92 34.67 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.572 -0.823 . . . . 20.43 114.043 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -63.25 161.59 30.0 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 121.795 1.664 . . . . 24.870000000000001 112.252 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.35 154.67 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.318 0.58 . . . . 19.41 112.333 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' VAL . . . . . 0.684 HG21 ' HE3' ' B' ' 30' ' ' LYS . 91.8 t -108.72 123.6 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.001 -1.0 . . . . 17.57 108.446 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -79.77 123.02 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.56 -0.533 . . . . 25.690000000000001 109.56 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . 0.588 ' HA ' HD23 ' A' ' 6' ' ' LEU . 41.1 t0 -106.16 102.08 11.52 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 105.593 -2.002 . . . . 25.390000000000001 105.593 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 42' ' ' ILE . 47.6 tttm -63.92 -40.47 96.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.437 1.644 . . . . 40.07 115.437 -178.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.3 p -61.86 -36.76 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.105 1.15 . . . . 31.390000000000001 114.105 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -102.97 -12.01 17.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.134 -0.627 . . . . 40.229999999999997 111.835 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 t0 62.77 53.3 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.389 -0.823 . . . . 43.109999999999999 111.006 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.76 163.19 31.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 24.010000000000002 110.058 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -109.62 122.93 48.54 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 105.402 -2.073 . . . . 17.449999999999999 105.402 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 58.0 mt -108.86 137.36 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 116.757 2.132 . . . . 22.73 116.757 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.9 t -105.08 109.21 21.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.278 -2.49 . . . . 20.609999999999999 104.278 175.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . 0.798 ' HG2' HD13 ' B' ' 61' ' ' LEU . 99.7 mttt -59.41 -49.28 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.04 -0.264 . . . . 38.259999999999998 111.291 -179.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.95 -49.48 42.13 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 115.822 1.089 . . . . 31.949999999999999 115.822 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -89.65 -5.56 56.99 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.478 0.918 . . . . 35.119999999999997 113.478 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 58.0 39.51 26.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.096 0.474 . . . . 52.460000000000001 110.856 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' B' ' 13' ' ' LEU . 70.9 mt -115.0 145.71 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 27.329999999999998 110.893 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . 0.508 ' HB2' HD21 ' B' ' 53' ' ' LEU . . . -123.22 116.12 22.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.999 -0.741 . . . . 21.98 108.999 178.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -90.31 138.74 26.98 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 19.34 111.151 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -80.09 158.71 23.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 121.996 1.797 . . . . 20.210000000000001 113.69 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -121.41 108.98 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 104.518 -2.401 . . . . 29.84 104.518 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.18 113.97 27.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 45.060000000000002 109.973 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 53.85 47.02 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 49.729999999999997 110.73 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 1.25 74.94 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 115.637 1.015 . . . . 40.640000000000001 115.637 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . 0.438 HD11 ' HE3' ' A' ' 22' ' ' LYS . 68.3 mt -108.33 114.84 58.93 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 114.772 1.397 . . . . 37.810000000000002 114.772 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -63.61 121.97 9.92 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 120.925 1.084 . . . . 26.920000000000002 110.128 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' MSE . . . . . . . . . . . . . 82.1 mmm -89.73 84.22 6.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.513 -0.921 . . . . 42.619999999999997 108.513 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' MSE . . . . . . . . . . . . . 47.2 mmm -78.48 57.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 115.035 1.494 . . . . 41.890000000000001 115.035 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.2 mt -125.37 132.69 52.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.702 -1.962 . . . . 29.379999999999999 105.702 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . 0.807 ' CD ' HD21 ' B' ' 13' ' ' LEU . 87.6 tt0 -57.04 -32.34 66.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.365 -0.534 . . . . 39.659999999999997 111.215 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -68.09 -19.01 64.82 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.743 1.016 . . . . 25.149999999999999 113.743 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -91.26 -16.23 27.92 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.887 1.069 . . . . 32.5 113.887 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.85 153.17 38.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 115.764 1.764 . . . . 30.440000000000001 115.764 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -116.65 155.39 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.316 -1.735 . . . . 31.98 106.316 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.84 137.42 32.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.278 -1.008 . . . . 47.299999999999997 108.278 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' B' ' 35' ' ' ALA . 87.9 mt -80.26 138.28 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.005 -0.369 . . . . 39.920000000000002 110.005 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 154.67 93.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 106.129 -1.804 . . . . 48.549999999999997 106.129 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -55.07 -22.57 31.88 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 120.706 0.937 . . . . 52.299999999999997 113.031 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -78.76 -26.35 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 59.810000000000002 112.058 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.19 -31.03 49.32 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 51.219999999999999 109.739 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.08 -44.2 82.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.465 0.913 . . . . 59.030000000000001 113.465 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 t -43.25 -52.95 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 116.3 1.963 . . . . 53.960000000000001 116.3 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . 0.816 ' HG2' ' O ' ' B' ' 235' ' ' HOH . 12.2 ptpt -60.95 -11.79 9.18 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.968 1.84 . . . . 58.82 115.968 -177.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' B' ' 235' ' ' HOH . 93.5 mt -89.17 -7.21 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.124 0.488 . . . . 49.93 109.771 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.801 -1.095 . . . . 52.039999999999999 110.785 179.147 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . 0.415 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . 0.483 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . 0.525 ' O ' ' HE2' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . 0.879 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . 0.649 ' O ' ' HB2' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.755 0.312 . . . . 42.07 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 127.59 33.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.806 -0.813 . . . . 40.630000000000003 108.806 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.762 ' HD2' ' HD3' ' B' ' 60' ' ' LYS . 9.5 ptpt -139.64 167.43 22.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 46.109999999999999 111.725 179.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t80 -97.17 107.64 20.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.403 -0.817 . . . . 29.800000000000001 113.069 -178.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' B' ' 21' ' ' ASP . 98.8 mt -131.11 122.35 26.52 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.877 -1.157 . . . . 23.800000000000001 107.877 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 16.0 pt-20 -139.76 133.16 30.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.207 -0.597 . . . . 31.109999999999999 111.936 178.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 tt -68.79 138.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 108.096 -1.075 . . . . 26.66 108.096 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 mt -96.28 77.83 3.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.895 1.072 . . . . 19.109999999999999 113.895 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.2 156.21 42.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.894 -1.891 . . . . 20.57 105.894 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.83 130.03 90.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.26 -0.644 . . . . 24.699999999999999 109.26 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 89.6 Cg_endo -60.46 -11.57 17.29 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 120.781 0.987 . . . . 35.729999999999997 114.112 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -99.73 -68.2 0.82 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.04 1.496 . . . . 39.490000000000002 115.04 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.96 -7.52 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.146 1.165 . . . . 33.369999999999997 114.146 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 257' ' ' HOH . 1.0 OUTLIER 65.0 21.2 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.641 0.608 . . . . 47.149999999999999 112.641 -178.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.71 168.87 34.89 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.486 -0.864 . . . . 27.879999999999999 111.508 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.03 157.83 60.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.499 2.132 . . . . 26.420000000000002 112.568 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 mt -113.49 149.58 34.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 22.760000000000002 111.426 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG22 HG12 ' B' ' 8' ' ' ILE . 67.5 t -101.76 126.23 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.282 -1.007 . . . . 23.210000000000001 108.282 179.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.89 124.63 29.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.715 -0.394 . . . . 24.120000000000001 110.796 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.708 ' HA ' ' CD2' ' B' ' 6' ' ' LEU . 40.0 t0 -106.41 105.31 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.93 -1.507 . . . . 27.960000000000001 106.93 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' HE3' HD11 ' B' ' 42' ' ' ILE . 86.3 tttt -61.32 -44.31 97.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.702 1.001 . . . . 45.310000000000002 113.702 -179.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.7 p -63.57 -35.76 81.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.652 1.723 . . . . 39.740000000000002 115.652 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 65.7 mttm -107.03 3.22 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.586 -0.446 . . . . 42.719999999999999 111.963 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 42.79 61.85 1.96 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.918 0.866 . . . . 46.649999999999999 109.383 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 64.8 mt-10 -137.93 161.34 36.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.968 -1.014 . . . . 29.809999999999999 109.767 179.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 43' ' ' PRO . 73.6 mt -115.6 117.69 31.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.033 -2.58 . . . . 19.829999999999998 104.033 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.11 137.12 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 116.611 2.078 . . . . 21.84 116.611 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.58 109.11 20.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.207 -2.516 . . . . 24.43 104.207 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -59.22 -53.34 59.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.585 . . . . 43.090000000000003 111.86 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.2 -27.31 57.46 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 117.386 1.714 . . . . 36.07 117.386 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -107.9 -6.0 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.619 0.6 . . . . 33.600000000000001 112.619 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . 54.87 50.54 15.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 30.359999999999999 110.642 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -129.68 146.59 51.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.3 -0.864 . . . . 30.609999999999999 109.325 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.82 122.81 41.13 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.414 -0.958 . . . . 24.989999999999998 108.414 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 63.0 m-85 -97.73 140.27 21.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -82.45 156.67 16.64 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 N-CA-C 114.974 1.105 . . . . 23.120000000000001 114.974 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.7 mt -116.49 112.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 101.981 -3.34 . . . . 28.43 101.981 176.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.06 128.3 56.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.494 -0.321 . . . . 37.840000000000003 110.36 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . 54.68 38.12 29.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 36.460000000000001 108.711 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.76 12.41 78.26 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.792 -0.718 . . . . 35.200000000000003 114.222 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' B' ' 22' ' ' LYS . 67.2 mt -116.85 115.09 39.14 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 114.167 1.173 . . . . 34.859999999999999 114.167 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD12 ' A' ' 27' ' ' LEU . 96.4 Cg_exo -62.92 123.76 12.83 Favored 'Trans proline' 0 C--O 1.235 0.36 0 N-CA-C 109.997 -0.809 . . . . 27.079999999999998 109.997 179.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' MSE . . . . . . . . . . . . . 85.1 mmm -89.53 82.51 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 42.600000000000001 110.562 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MSE . . . . . . . . . . . . . 29.3 mmt -75.38 66.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.419 0.896 . . . . 43.840000000000003 113.419 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.2 mt -136.31 131.93 35.01 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.557 -0.534 . . . . 29.09 109.557 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -53.57 -41.68 66.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 44.380000000000003 111.457 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.1 p -58.46 -27.17 64.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.945 1.091 . . . . 26.920000000000002 113.945 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.5 -18.35 33.78 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 114.508 1.299 . . . . 30.789999999999999 114.508 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . . . -70.81 145.91 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 115.533 1.679 . . . . 32.289999999999999 115.533 -178.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.28 143.4 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.168 -1.789 . . . . 51.350000000000001 106.168 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.17 145.55 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.509 -1.293 . . . . 52.420000000000002 107.509 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.61 148.54 35.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.353 0.597 . . . . 40.200000000000003 110.386 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.25 160.77 56.54 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 102.116 -3.29 . . . . 46.590000000000003 102.116 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -71.81 -19.22 27.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 C-N-CA 116.595 -1.803 . . . . 49.920000000000002 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 59' ' ' VAL . 3.9 pt-20 -72.53 -14.42 61.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.88 -1.156 . . . . 54.689999999999998 107.88 178.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.36 -27.35 14.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.767 -0.651 . . . . 49.420000000000002 111.59 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.97 -24.44 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.134 -0.691 . . . . 58.390000000000001 109.134 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 56' ' ' GLU . 20.2 m -56.89 -43.43 80.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 115.203 1.557 . . . . 52.939999999999998 115.203 -179.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 238' ' ' HOH . 59.9 pttt -74.09 -16.0 61.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 116.61 2.078 . . . . 56.039999999999999 116.61 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 42.3 mt -94.05 -1.45 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.433 -2.432 . . . . 50.490000000000002 104.433 178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 20.8 mt-10 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 115.011 1.485 . . . . 51.770000000000003 115.011 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 107.333 -1.358 . . . . 31.890000000000001 107.333 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.464 ' CE1' ' HG2' ' B' ' 7' ' ' GLU . 38.7 t80 -90.0 114.55 26.43 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.979 0.8 . . . . 36.850000000000001 112.803 -178.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.708 ' CD2' ' HA ' ' A' ' 21' ' ' ASP . 97.4 mt -142.12 128.48 19.99 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 106.31 -1.737 . . . . 36.030000000000001 106.31 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.649 ' HB2' ' O ' ' B' ' 252' ' ' HOH . 9.5 pt-20 -141.98 135.34 29.22 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.56 0.695 . . . . 36.299999999999997 110.699 -179.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 19' ' ' VAL . 89.5 mt -69.18 136.63 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.628 -1.619 . . . . 31.629999999999999 106.628 179.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.02 77.49 3.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.76 1.022 . . . . 23.07 113.76 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.4 156.13 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.357 -1.72 . . . . 21.690000000000001 106.357 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.27 129.65 94.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 108.065 -1.087 . . . . 21.449999999999999 108.065 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.49 -17.91 48.92 Favored 'Trans proline' 0 C--O 1.233 0.274 0 N-CA-C 114.089 0.765 . . . . 29.620000000000001 114.089 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.807 HD21 ' CD ' ' B' ' 47' ' ' GLU . 45.4 mt -82.3 -62.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.522 0.934 . . . . 41.939999999999998 113.522 -179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 31.2 p -96.27 -9.61 29.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.509 0.929 . . . . 27.870000000000001 113.509 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 69.24 16.51 8.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.49 0.662 . . . . 37.210000000000001 111.056 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.66 160.92 34.67 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.572 -0.823 . . . . 20.43 114.043 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -63.25 161.59 30.0 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 121.795 1.664 . . . . 24.870000000000001 112.252 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.35 154.67 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.318 0.58 . . . . 19.41 112.333 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.684 HG21 ' HE3' ' B' ' 30' ' ' LYS . 91.8 t -108.72 123.6 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.001 -1.0 . . . . 17.57 108.446 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -79.77 123.02 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.56 -0.533 . . . . 25.690000000000001 109.56 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.588 ' HA ' HD23 ' A' ' 6' ' ' LEU . 41.1 t0 -106.16 102.08 11.52 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 105.593 -2.002 . . . . 25.390000000000001 105.593 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 42' ' ' ILE . 47.6 tttm -63.92 -40.47 96.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.437 1.644 . . . . 40.07 115.437 -178.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.3 p -61.86 -36.76 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.105 1.15 . . . . 31.390000000000001 114.105 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -102.97 -12.01 17.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.134 -0.627 . . . . 40.229999999999997 111.835 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 t0 62.77 53.3 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.389 -0.823 . . . . 43.109999999999999 111.006 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.76 163.19 31.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 24.010000000000002 110.058 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -109.62 122.93 48.54 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 105.402 -2.073 . . . . 17.449999999999999 105.402 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 58.0 mt -108.86 137.36 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 116.757 2.132 . . . . 22.73 116.757 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.9 t -105.08 109.21 21.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.278 -2.49 . . . . 20.609999999999999 104.278 175.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.798 ' HG2' HD13 ' B' ' 61' ' ' LEU . 99.7 mttt -59.41 -49.28 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.04 -0.264 . . . . 38.259999999999998 111.291 -179.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.95 -49.48 42.13 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 115.822 1.089 . . . . 31.949999999999999 115.822 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -89.65 -5.56 56.99 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.478 0.918 . . . . 35.119999999999997 113.478 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 58.0 39.51 26.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.096 0.474 . . . . 52.460000000000001 110.856 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' B' ' 13' ' ' LEU . 70.9 mt -115.0 145.71 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 27.329999999999998 110.893 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.508 ' HB2' HD21 ' B' ' 53' ' ' LEU . . . -123.22 116.12 22.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.999 -0.741 . . . . 21.98 108.999 178.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -90.31 138.74 26.98 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 19.34 111.151 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -80.09 158.71 23.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 121.996 1.797 . . . . 20.210000000000001 113.69 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -121.41 108.98 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 104.518 -2.401 . . . . 29.84 104.518 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.18 113.97 27.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 45.060000000000002 109.973 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 53.85 47.02 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 49.729999999999997 110.73 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 1.25 74.94 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 115.637 1.015 . . . . 40.640000000000001 115.637 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.438 HD11 ' HE3' ' A' ' 22' ' ' LYS . 68.3 mt -108.33 114.84 58.93 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 114.772 1.397 . . . . 37.810000000000002 114.772 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -63.61 121.97 9.92 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 120.925 1.084 . . . . 26.920000000000002 110.128 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' MSE . . . . . . . . . . . . . 82.1 mmm -89.73 84.22 6.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.513 -0.921 . . . . 42.619999999999997 108.513 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' MSE . . . . . . . . . . . . . 47.2 mmm -78.48 57.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 115.035 1.494 . . . . 41.890000000000001 115.035 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.2 mt -125.37 132.69 52.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.702 -1.962 . . . . 29.379999999999999 105.702 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.807 ' CD ' HD21 ' B' ' 13' ' ' LEU . 87.6 tt0 -57.04 -32.34 66.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.365 -0.534 . . . . 39.659999999999997 111.215 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -68.09 -19.01 64.82 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.743 1.016 . . . . 25.149999999999999 113.743 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -91.26 -16.23 27.92 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.887 1.069 . . . . 32.5 113.887 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.85 153.17 38.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 115.764 1.764 . . . . 30.440000000000001 115.764 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -116.65 155.39 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.316 -1.735 . . . . 31.98 106.316 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.84 137.42 32.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.278 -1.008 . . . . 47.299999999999997 108.278 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' B' ' 35' ' ' ALA . 87.9 mt -80.26 138.28 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.005 -0.369 . . . . 39.920000000000002 110.005 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 154.67 93.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 106.129 -1.804 . . . . 48.549999999999997 106.129 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -55.07 -22.57 31.88 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 120.706 0.937 . . . . 52.299999999999997 113.031 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -78.76 -26.35 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 59.810000000000002 112.058 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.19 -31.03 49.32 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 51.219999999999999 109.739 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.08 -44.2 82.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.465 0.913 . . . . 59.030000000000001 113.465 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 t -43.25 -52.95 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 116.3 1.963 . . . . 53.960000000000001 116.3 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.816 ' HG2' ' O ' ' B' ' 235' ' ' HOH . 12.2 ptpt -60.95 -11.79 9.18 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.968 1.84 . . . . 58.82 115.968 -177.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' B' ' 235' ' ' HOH . 93.5 mt -89.17 -7.21 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.124 0.488 . . . . 49.93 109.771 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.801 -1.095 . . . . 52.039999999999999 110.785 179.147 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . 0.415 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . 0.483 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . 0.525 ' O ' ' HE2' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . 0.879 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . 0.649 ' O ' ' HB2' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_