data_6nsx_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6nsx _Structure_validation_residue.Date_analyzed 2019-05-31 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 ' 260' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 110.266 -0.272 . . . . 141.31 110.266 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -86.48 125.44 33.73 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-O 120.909 0.385 . . . . 102.5 109.991 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.23 97.14 7.47 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.052 -1.092 . . . . 66.87 108.052 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.68 125.2 27.53 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.145 -0.622 . . . . 60.9 111.849 -160.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -108.0 -5.11 17.26 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.193 1.183 . . . . 46.45 114.193 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.13 127.32 57.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.704 -0.85 . . . . 51.88 108.704 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' VAL . . . . . . . . . . . . . 81.9 t -106.68 128.58 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 108.365 -0.976 . . . . 48.82 108.365 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.15 118.91 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.667 -1.235 . . . . 51.09 107.667 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 268' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.73 132.57 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.348 -1.353 . . . . 56.01 107.348 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 269' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -126.26 158.53 35.48 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.175 0.512 . . . . 66.15 111.363 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 270' ' ' ASN . . . . . . . . . . . . . 49.5 t30 67.13 32.41 6.18 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.448 1.899 . . . . 64.79 113.521 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 271' ' ' MET . . . . . . . . . . . . . 5.9 mmm -79.06 -18.1 54.05 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 112.403 0.52 . . . . 112.16 112.403 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -171.88 173.76 4.39 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.972 -1.862 . . . . 83.09 105.972 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -122.74 141.86 36.32 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 108.01 -1.107 . . . . 73.67 108.01 161.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.87 -26.88 50.59 Favored 'Trans proline' 0 N--CA 1.476 0.477 0 N-CA-C 114.613 0.966 . . . . 64.3 114.613 -176.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 275' ' ' MET . . . . . . . . . . . . . 52.5 mmm -61.18 -22.65 64.93 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.769 0.713 . . . . 92.04 112.708 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -61.55 -24.0 66.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.778 0.717 . . . . 76.94 111.949 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 277' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -95.53 0.44 53.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.848 0.684 . . . . 77.01 112.848 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -69.09 -39.95 78.71 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 117.623 0.192 . . . . 115.43 110.963 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -121.65 17.25 11.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.975 0.361 . . . . 101.16 111.975 -171.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -149.66 106.62 3.28 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.238 -1.385 . . . . 116.7 107.493 168.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 281' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.19 -11.73 27.23 Favored 'Trans proline' 0 C--O 1.237 0.443 0 CA-C-N 119.141 0.729 . . . . 124.02 113.55 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 282' ' ' LEU . . . . . . . . . . . . . 39.6 mt -92.29 -15.73 27.02 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.385 0.883 . . . . 133.36 113.385 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 283' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.58 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 118.817 0.735 . . . . 96.18 110.558 -172.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . 27.7 tp -57.04 -51.08 70.71 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.56 -0.713 . . . . 76.73 111.312 -173.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.986 -0.686 . . . . 105.17 112.17 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.84 -44.29 86.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.015 -0.674 . . . . 98.16 110.914 172.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 287' ' ' ILE . . . . . . . . . . . . . 37.2 mt -65.29 -42.6 94.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.654 -0.418 . . . . 87.62 110.914 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.764 -0.774 . . . . 103.54 110.303 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 289' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.0 -36.9 35.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.142 -1.023 . . . . 103.0 111.801 -174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 290' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.24 -46.84 36.02 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.345 0.593 . . . . 96.87 110.952 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.53 -42.39 74.72 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.996 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 292' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -64.54 -42.74 95.53 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 119.807 -0.757 . . . . 98.11 111.054 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.83 -47.06 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 120.351 -0.54 . . . . 79.39 110.179 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 294' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.99 -45.84 80.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.754 -0.778 . . . . 75.23 111.719 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 295' ' ' CYS . . . . . 0.407 ' HA ' ' CD2' ' A' ' 298' ' ' PHE . 55.5 m -72.69 -25.28 61.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.477 -0.889 . . . . 56.3 112.772 -173.458 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 14.7 m -58.09 -23.19 53.78 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 118.412 0.551 . . . . 79.46 112.375 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -73.12 -19.6 61.11 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.181 0.446 . . . . 99.44 111.906 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 298' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 295' ' ' CYS . 13.2 m-85 -92.21 -19.28 22.38 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 113.382 0.882 . . . . 61.63 113.382 -175.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 299' ' ' GLY . . . . . . . . . . . . . . . 165.4 175.89 36.42 Favored Glycine 0 C--O 1.241 0.54 0 C-N-CA 119.827 -1.177 . . . . 51.07 110.161 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.06 121.58 17.73 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.329 -0.989 . . . . 85.63 108.329 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ILE . . . . . . . . . . . . . 85.7 mt -84.69 127.54 39.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.386 -0.968 . . . . 59.53 108.386 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -93.26 -38.48 11.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.922 -0.126 . . . . 96.37 110.786 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -154.8 136.51 14.4 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.844 -1.169 . . . . 123.55 107.844 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 9.3 tt -129.94 126.62 38.28 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.879 -1.156 . . . . 74.14 107.879 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.9 136.66 44.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.11 0.564 . . . . 83.11 111.215 -176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 9.2 mp -109.88 127.82 54.96 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.93 -1.507 . . . . 69.27 106.93 170.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.35 80.39 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.127 -1.434 . . . . 57.45 107.127 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.14 -6.71 47.53 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 114.91 -1.041 . . . . 67.47 113.71 -163.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -110.85 7.53 21.93 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.606 0.639 . . . . 90.24 112.268 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -81.28 128.69 69.48 Favored Pre-proline 0 N--CA 1.45 -0.436 0 C-N-CA 120.28 -0.568 . . . . 53.52 109.675 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.67 -18.65 59.17 Favored 'Trans proline' 0 CA--C 1.511 -0.645 0 C-N-CA 120.315 0.677 . . . . 54.26 113.21 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -91.05 6.44 44.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.263 0.838 . . . . 53.42 113.263 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . 68.55 51.84 28.96 Favored Glycine 0 C--O 1.246 0.88 0 C-N-CA 120.129 -1.034 . . . . 51.99 111.468 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' VAL . . . . . . . . . . . . . 88.4 t -95.67 140.01 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 121.805 -0.821 . . . . 54.69 112.005 -165.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -130.29 148.9 52.16 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.864 0.866 . . . . 49.14 109.933 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 85.6 p -114.48 136.27 53.2 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.31 -0.243 . . . . 48.55 110.354 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.62 120.1 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.619 -1.252 . . . . 50.04 107.619 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 91.7 p -104.7 133.26 49.83 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.754 0.659 . . . . 70.33 109.624 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -112.27 168.71 9.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.505 0.722 . . . . 48.95 110.529 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -72.81 -38.86 67.05 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 115.379 -0.828 . . . . 57.68 111.232 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -122.86 144.5 43.06 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 124.138 0.975 . . . . 44.6 111.607 -174.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -64.11 -30.5 65.54 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 CA-C-N 118.667 0.56 . . . . 51.0 113.146 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 62.1 mp0 -61.17 -29.41 69.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 112.06 0.392 . . . . 56.03 112.06 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -70.37 -40.6 73.92 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 120.06 -0.656 . . . . 48.96 109.702 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.414 -0.515 . . . . 43.99 111.163 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -56.78 -47.39 80.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.088 0.403 . . . . 52.03 112.088 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.75 -40.04 96.02 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.8 -0.563 . . . . 67.75 110.541 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' CYS . . . . . . . . . . . . . 19.6 t -62.78 -46.9 85.87 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.709 0.29 . . . . 71.17 110.843 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . 37.7 mt -61.17 -46.31 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 121.894 -0.504 . . . . 58.46 110.643 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 501' ' ' HOH . 61.8 mt-30 -57.33 -41.52 80.13 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.11 -0.369 . . . . 79.65 111.871 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' THR . . . . . . . . . . . . . 7.3 m -82.09 -34.4 29.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 112.181 0.437 . . . . 64.72 112.181 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 27.5 mt -92.83 -25.9 17.91 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 114.064 1.135 . . . . 67.65 114.064 -171.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.2 125.32 24.15 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.555 -0.858 . . . . 80.8 109.784 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 -3.95 80.64 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.429 0.931 . . . . 74.34 115.429 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -74.14 162.56 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.789 1.294 . . . . 117.86 110.336 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -101.4 140.89 35.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.657 -0.702 . . . . 94.71 109.584 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -142.24 114.07 8.03 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.204 -1.036 . . . . 94.76 108.204 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 54.54 35.52 56.94 Favored Glycine 0 N--CA 1.462 0.39 0 CA-C-N 115.82 -0.627 . . . . 84.76 113.957 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.47 4.23 85.97 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.12 -0.822 . . . . 96.53 115.104 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -115.25 136.68 52.84 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 118.153 0.977 . . . . 130.05 109.072 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -85.02 123.04 30.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.671 -0.863 . . . . 97.26 108.671 171.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 23.4 pt -101.3 160.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.024 0.916 . . . . 70.74 109.436 -172.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 77.7 p -114.9 151.29 34.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.415 -0.811 . . . . 69.32 109.355 169.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -138.71 132.03 30.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.507 -1.294 . . . . 56.95 107.507 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.66 151.88 34.46 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.899 0.749 . . . . 115.06 109.066 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -58.46 136.95 57.61 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.944 -0.571 . . . . 59.56 110.407 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -55.25 143.67 27.19 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.076 -0.712 . . . . 68.31 109.076 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -82.64 0.07 44.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 118.901 -0.571 . . . . 75.29 112.411 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' GLY . . . . . . . . . . . . . . . 81.06 -7.89 58.81 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 119.08 -0.844 . . . . 71.91 114.76 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' THR . . . . . . . . . . . . . 11.4 p -127.57 -35.16 2.16 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.315 1.228 . . . . 110.46 114.315 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' THR . . . . . . . . . . . . . 96.0 m -75.64 137.41 40.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.273 0.942 . . . . 77.48 111.19 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.6 159.16 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.936 -1.135 . . . . 96.48 107.936 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 116.342 -0.39 . . . . 66.03 111.376 -172.68 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.204 -1.339 0 CA-C-O 120.731 0.3 . . . . 137.42 111.293 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mtt85 -96.28 -1.31 48.24 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 115.141 -0.936 . . . . 135.67 112.119 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -61.81 127.9 33.65 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.478 1.288 . . . . 126.74 114.478 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 75.51 2.6 3.83 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 120.77 3.619 . . . . 127.94 120.77 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.03 115.4 6.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 C-N-CA 122.798 0.439 . . . . 145.43 110.057 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 114.356 1.243 . . . . 142.11 114.356 -178.833 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' A' ' 330' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 110.266 -0.272 . . . . 118.78 110.266 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -86.48 125.44 33.73 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-O 120.909 0.385 . . . . 85.42 109.991 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.23 97.14 7.47 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.052 -1.092 . . . . 55.72 108.052 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 263' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.68 125.2 27.53 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.145 -0.622 . . . . 55.04 111.849 -160.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -108.0 -5.11 17.26 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.193 1.183 . . . . 38.71 114.193 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 265' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.13 127.32 57.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.704 -0.85 . . . . 43.24 108.704 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 266' ' ' VAL . . . . . . . . . . . . . 81.9 t -106.68 128.58 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 108.365 -0.976 . . . . 40.68 108.365 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.15 118.91 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.667 -1.235 . . . . 42.58 107.667 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 268' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.73 132.57 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.348 -1.353 . . . . 46.68 107.348 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 269' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -126.26 158.53 35.48 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.175 0.512 . . . . 55.12 111.363 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 270' ' ' ASN . . . . . . . . . . . . . 49.5 t30 67.13 32.41 6.18 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.448 1.899 . . . . 57.26 113.521 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 271' ' ' MET . . . . . . . . . . . . . 5.9 mmm -79.06 -18.1 54.05 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 112.403 0.52 . . . . 93.47 112.403 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -171.88 173.76 4.39 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.972 -1.862 . . . . 69.24 105.972 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -122.74 141.86 36.32 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 108.01 -1.107 . . . . 61.39 108.01 161.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.87 -26.88 50.59 Favored 'Trans proline' 0 N--CA 1.476 0.477 0 N-CA-C 114.613 0.966 . . . . 57.54 114.613 -176.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 275' ' ' MET . . . . . . . . . . . . . 52.5 mmm -61.18 -22.65 64.93 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.769 0.713 . . . . 76.7 112.708 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -61.55 -24.0 66.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.778 0.717 . . . . 72.96 111.949 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 277' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -95.53 0.44 53.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.848 0.684 . . . . 77.01 112.848 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -69.09 -39.95 78.71 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 117.623 0.192 . . . . 96.2 110.963 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 279' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -121.65 17.25 11.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.975 0.361 . . . . 101.16 111.975 -171.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -149.66 106.62 3.28 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.238 -1.385 . . . . 109.32 107.493 168.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 281' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.19 -11.73 27.23 Favored 'Trans proline' 0 C--O 1.237 0.443 0 CA-C-N 119.141 0.729 . . . . 103.35 113.55 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 282' ' ' LEU . . . . . . . . . . . . . 39.6 mt -92.29 -15.73 27.02 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.385 0.883 . . . . 111.13 113.385 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 283' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.58 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 118.817 0.735 . . . . 80.15 110.558 -172.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . 27.7 tp -57.04 -51.08 70.71 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.56 -0.713 . . . . 63.94 111.312 -173.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.986 -0.686 . . . . 102.36 112.17 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.84 -44.29 86.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.015 -0.674 . . . . 92.12 110.914 172.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 287' ' ' ILE . . . . . . . . . . . . . 37.2 mt -65.29 -42.6 94.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.654 -0.418 . . . . 73.02 110.914 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.764 -0.774 . . . . 86.29 110.303 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 289' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.0 -36.9 35.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.142 -1.023 . . . . 99.61 111.801 -174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 290' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.24 -46.84 36.02 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.345 0.593 . . . . 96.87 110.952 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.53 -42.39 74.72 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.197 -0.456 . . . . 53.41 111.996 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 292' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -64.54 -42.74 95.53 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 119.807 -0.757 . . . . 81.76 111.054 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.83 -47.06 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 120.351 -0.54 . . . . 66.16 110.179 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 294' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.99 -45.84 80.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.754 -0.778 . . . . 71.18 111.719 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 295' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 298' ' ' PHE . 55.5 m -72.69 -25.28 61.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.477 -0.889 . . . . 46.91 112.772 -173.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 14.7 m -58.09 -23.19 53.78 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 118.412 0.551 . . . . 66.22 112.375 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -73.12 -19.6 61.11 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.181 0.446 . . . . 82.87 111.906 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 298' ' ' PHE . . . . . 0.41 ' CD2' ' HA ' ' A' ' 295' ' ' CYS . 13.2 m-85 -92.21 -19.28 22.38 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 113.382 0.882 . . . . 51.36 113.382 -175.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 299' ' ' GLY . . . . . . . . . . . . . . . 165.4 175.89 36.42 Favored Glycine 0 C--O 1.241 0.54 0 C-N-CA 119.827 -1.177 . . . . 42.73 110.161 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 300' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.06 121.58 17.73 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.329 -0.989 . . . . 79.16 108.329 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ILE . . . . . . . . . . . . . 85.7 mt -84.69 127.54 39.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.386 -0.968 . . . . 49.61 108.386 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -93.26 -38.48 11.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.922 -0.126 . . . . 80.31 110.786 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -154.8 136.51 14.4 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.844 -1.169 . . . . 102.96 107.844 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 9.3 tt -129.94 126.62 38.28 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.879 -1.156 . . . . 61.78 107.879 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.9 136.66 44.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.11 0.564 . . . . 69.26 111.215 -176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 9.2 mp -109.88 127.82 54.96 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.93 -1.507 . . . . 57.72 106.93 170.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.35 80.39 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.127 -1.434 . . . . 47.88 107.127 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.14 -6.71 47.53 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 114.91 -1.041 . . . . 59.39 113.71 -163.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 309' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -110.85 7.53 21.93 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.606 0.639 . . . . 75.2 112.268 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -81.28 128.69 69.48 Favored Pre-proline 0 N--CA 1.45 -0.436 0 C-N-CA 120.28 -0.568 . . . . 44.6 109.675 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.67 -18.65 59.17 Favored 'Trans proline' 0 CA--C 1.511 -0.645 0 C-N-CA 120.315 0.677 . . . . 47.73 113.21 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -91.05 6.44 44.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.263 0.838 . . . . 48.86 113.263 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . 68.55 51.84 28.96 Favored Glycine 0 C--O 1.246 0.88 0 C-N-CA 120.129 -1.034 . . . . 45.49 111.468 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 314' ' ' VAL . . . . . . . . . . . . . 88.4 t -95.67 140.01 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 121.805 -0.821 . . . . 45.57 112.005 -165.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -130.29 148.9 52.16 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.864 0.866 . . . . 43.43 109.933 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 85.6 p -114.48 136.27 53.2 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.31 -0.243 . . . . 42.33 110.354 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 317' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.62 120.1 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.619 -1.252 . . . . 41.7 107.619 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 91.7 p -104.7 133.26 49.83 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.754 0.659 . . . . 58.61 109.624 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 319' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -112.27 168.71 9.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.505 0.722 . . . . 40.79 110.529 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 320' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -72.81 -38.86 67.05 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 115.379 -0.828 . . . . 48.07 111.232 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 321' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -122.86 144.5 43.06 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 124.138 0.975 . . . . 44.6 111.607 -174.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -64.11 -30.5 65.54 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 CA-C-N 118.667 0.56 . . . . 42.5 113.146 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 62.1 mp0 -61.17 -29.41 69.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 112.06 0.392 . . . . 46.69 112.06 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 324' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -70.37 -40.6 73.92 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 120.06 -0.656 . . . . 43.1 109.702 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.414 -0.515 . . . . 41.89 111.163 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -56.78 -47.39 80.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.088 0.403 . . . . 52.03 112.088 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.75 -40.04 96.02 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.8 -0.563 . . . . 56.46 110.541 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 328' ' ' CYS . . . . . . . . . . . . . 19.6 t -62.78 -46.9 85.87 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.709 0.29 . . . . 59.31 110.843 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . 37.7 mt -61.17 -46.31 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 121.894 -0.504 . . . . 48.72 110.643 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 330' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 501' ' ' HOH . 61.8 mt-30 -57.33 -41.52 80.13 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.11 -0.369 . . . . 79.65 111.871 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 331' ' ' THR . . . . . . . . . . . . . 7.3 m -82.09 -34.4 29.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 112.181 0.437 . . . . 59.26 112.181 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 27.5 mt -92.83 -25.9 17.91 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 114.064 1.135 . . . . 59.21 114.064 -171.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.2 125.32 24.15 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.555 -0.858 . . . . 80.8 109.784 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 -3.95 80.64 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.429 0.931 . . . . 65.1 115.429 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -74.14 162.56 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.789 1.294 . . . . 98.22 110.336 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 336' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -101.4 140.89 35.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.657 -0.702 . . . . 78.92 109.584 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 337' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -142.24 114.07 8.03 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.204 -1.036 . . . . 78.97 108.204 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 54.54 35.52 56.94 Favored Glycine 0 N--CA 1.462 0.39 0 CA-C-N 115.82 -0.627 . . . . 77.84 113.957 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.47 4.23 85.97 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.12 -0.822 . . . . 80.44 115.104 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 340' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -115.25 136.68 52.84 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 118.153 0.977 . . . . 108.37 109.072 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -85.02 123.04 30.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.671 -0.863 . . . . 81.05 108.671 171.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 23.4 pt -101.3 160.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.024 0.916 . . . . 58.95 109.436 -172.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 77.7 p -114.9 151.29 34.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.415 -0.811 . . . . 57.77 109.355 169.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -138.71 132.03 30.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.507 -1.294 . . . . 49.04 107.507 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 345' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.66 151.88 34.46 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.899 0.749 . . . . 95.88 109.066 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -58.46 136.95 57.61 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.944 -0.571 . . . . 50.81 110.407 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 347' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -55.25 143.67 27.19 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.076 -0.712 . . . . 56.92 109.076 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 348' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -82.64 0.07 44.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 118.901 -0.571 . . . . 64.73 112.411 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 349' ' ' GLY . . . . . . . . . . . . . . . 81.06 -7.89 58.81 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 119.08 -0.844 . . . . 65.82 114.76 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 350' ' ' THR . . . . . . . . . . . . . 11.4 p -127.57 -35.16 2.16 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.315 1.228 . . . . 92.05 114.315 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 351' ' ' THR . . . . . . . . . . . . . 96.0 m -75.64 137.41 40.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.273 0.942 . . . . 64.57 111.19 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.6 159.16 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.936 -1.135 . . . . 96.48 107.936 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 353' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 116.342 -0.39 . . . . 58.34 111.376 -172.68 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.204 -1.339 0 CA-C-O 120.731 0.3 . . . . 115.14 111.293 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mtt85 -96.28 -1.31 48.24 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 115.141 -0.936 . . . . 113.06 112.119 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -61.81 127.9 33.65 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.478 1.288 . . . . 105.62 114.478 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 75.51 2.6 3.83 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 120.77 3.619 . . . . 112.74 120.77 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.03 115.4 6.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 C-N-CA 122.798 0.439 . . . . 121.19 110.057 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 114.356 1.243 . . . . 118.42 114.356 -178.833 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' A' ' 330' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 110.266 -0.272 . . . . 118.78 110.266 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -86.48 125.44 33.73 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-O 120.909 0.385 . . . . 85.42 109.991 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.23 97.14 7.47 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.052 -1.092 . . . . 55.72 108.052 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.68 125.2 27.53 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.145 -0.622 . . . . 55.04 111.849 -160.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -108.0 -5.11 17.26 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.193 1.183 . . . . 38.71 114.193 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.13 127.32 57.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.704 -0.85 . . . . 43.24 108.704 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' VAL . . . . . . . . . . . . . 81.9 t -106.68 128.58 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 108.365 -0.976 . . . . 40.68 108.365 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.15 118.91 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.667 -1.235 . . . . 42.58 107.667 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 268' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.73 132.57 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.348 -1.353 . . . . 46.68 107.348 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 269' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -126.26 158.53 35.48 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.175 0.512 . . . . 55.12 111.363 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 270' ' ' ASN . . . . . . . . . . . . . 49.5 t30 67.13 32.41 6.18 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.448 1.899 . . . . 57.26 113.521 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 271' ' ' MET . . . . . . . . . . . . . 5.9 mmm -79.06 -18.1 54.05 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 112.403 0.52 . . . . 93.47 112.403 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -171.88 173.76 4.39 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.972 -1.862 . . . . 69.24 105.972 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -122.74 141.86 36.32 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 108.01 -1.107 . . . . 61.39 108.01 161.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.87 -26.88 50.59 Favored 'Trans proline' 0 N--CA 1.476 0.477 0 N-CA-C 114.613 0.966 . . . . 57.54 114.613 -176.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 275' ' ' MET . . . . . . . . . . . . . 52.5 mmm -61.18 -22.65 64.93 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.769 0.713 . . . . 76.7 112.708 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -61.55 -24.0 66.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.778 0.717 . . . . 72.96 111.949 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 277' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -95.53 0.44 53.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.848 0.684 . . . . 77.01 112.848 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -69.09 -39.95 78.71 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 117.623 0.192 . . . . 96.2 110.963 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -121.65 17.25 11.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.975 0.361 . . . . 101.16 111.975 -171.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -149.66 106.62 3.28 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.238 -1.385 . . . . 109.32 107.493 168.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 281' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.19 -11.73 27.23 Favored 'Trans proline' 0 C--O 1.237 0.443 0 CA-C-N 119.141 0.729 . . . . 103.35 113.55 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 282' ' ' LEU . . . . . . . . . . . . . 39.6 mt -92.29 -15.73 27.02 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.385 0.883 . . . . 111.13 113.385 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 283' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.58 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 118.817 0.735 . . . . 80.15 110.558 -172.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . 27.7 tp -57.04 -51.08 70.71 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.56 -0.713 . . . . 63.94 111.312 -173.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 285' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.986 -0.686 . . . . 102.36 112.17 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.84 -44.29 86.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.015 -0.674 . . . . 92.12 110.914 172.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 287' ' ' ILE . . . . . . . . . . . . . 37.2 mt -65.29 -42.6 94.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.654 -0.418 . . . . 73.02 110.914 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.764 -0.774 . . . . 86.29 110.303 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 289' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.0 -36.9 35.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.142 -1.023 . . . . 99.61 111.801 -174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 290' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.24 -46.84 36.02 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.345 0.593 . . . . 96.87 110.952 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.53 -42.39 74.72 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.197 -0.456 . . . . 53.41 111.996 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 292' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -64.54 -42.74 95.53 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 119.807 -0.757 . . . . 81.76 111.054 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.83 -47.06 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 120.351 -0.54 . . . . 66.16 110.179 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 294' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.99 -45.84 80.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.754 -0.778 . . . . 71.18 111.719 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 295' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 298' ' ' PHE . 55.5 m -72.69 -25.28 61.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.477 -0.889 . . . . 46.91 112.772 -173.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 14.7 m -58.09 -23.19 53.78 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 118.412 0.551 . . . . 66.22 112.375 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -73.12 -19.6 61.11 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.181 0.446 . . . . 82.87 111.906 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 298' ' ' PHE . . . . . 0.41 ' CD2' ' HA ' ' A' ' 295' ' ' CYS . 13.2 m-85 -92.21 -19.28 22.38 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 113.382 0.882 . . . . 51.36 113.382 -175.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 299' ' ' GLY . . . . . . . . . . . . . . . 165.4 175.89 36.42 Favored Glycine 0 C--O 1.241 0.54 0 C-N-CA 119.827 -1.177 . . . . 42.73 110.161 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.06 121.58 17.73 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.329 -0.989 . . . . 79.16 108.329 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ILE . . . . . . . . . . . . . 85.7 mt -84.69 127.54 39.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.386 -0.968 . . . . 49.61 108.386 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -93.26 -38.48 11.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.922 -0.126 . . . . 80.31 110.786 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -154.8 136.51 14.4 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.844 -1.169 . . . . 102.96 107.844 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 9.3 tt -129.94 126.62 38.28 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.879 -1.156 . . . . 61.78 107.879 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.9 136.66 44.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.11 0.564 . . . . 69.26 111.215 -176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 9.2 mp -109.88 127.82 54.96 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.93 -1.507 . . . . 57.72 106.93 170.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.35 80.39 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.127 -1.434 . . . . 47.88 107.127 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.14 -6.71 47.53 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 114.91 -1.041 . . . . 59.39 113.71 -163.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -110.85 7.53 21.93 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.606 0.639 . . . . 75.2 112.268 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -81.28 128.69 69.48 Favored Pre-proline 0 N--CA 1.45 -0.436 0 C-N-CA 120.28 -0.568 . . . . 44.6 109.675 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.67 -18.65 59.17 Favored 'Trans proline' 0 CA--C 1.511 -0.645 0 C-N-CA 120.315 0.677 . . . . 47.73 113.21 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -91.05 6.44 44.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.263 0.838 . . . . 48.86 113.263 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . 68.55 51.84 28.96 Favored Glycine 0 C--O 1.246 0.88 0 C-N-CA 120.129 -1.034 . . . . 45.49 111.468 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' VAL . . . . . . . . . . . . . 88.4 t -95.67 140.01 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 121.805 -0.821 . . . . 45.57 112.005 -165.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -130.29 148.9 52.16 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.864 0.866 . . . . 43.43 109.933 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 85.6 p -114.48 136.27 53.2 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.31 -0.243 . . . . 42.33 110.354 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.62 120.1 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.619 -1.252 . . . . 41.7 107.619 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 91.7 p -104.7 133.26 49.83 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.754 0.659 . . . . 58.61 109.624 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -112.27 168.71 9.4 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.505 0.722 . . . . 40.79 110.529 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -72.81 -38.86 67.05 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 115.379 -0.828 . . . . 48.07 111.232 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -122.86 144.5 43.06 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 124.138 0.975 . . . . 44.6 111.607 -174.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -64.11 -30.5 65.54 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 CA-C-N 118.667 0.56 . . . . 42.5 113.146 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 62.1 mp0 -61.17 -29.41 69.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 112.06 0.392 . . . . 46.69 112.06 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -70.37 -40.6 73.92 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 120.06 -0.656 . . . . 43.1 109.702 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.414 -0.515 . . . . 41.89 111.163 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -56.78 -47.39 80.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.088 0.403 . . . . 52.03 112.088 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.75 -40.04 96.02 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.8 -0.563 . . . . 56.46 110.541 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' CYS . . . . . . . . . . . . . 19.6 t -62.78 -46.9 85.87 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.709 0.29 . . . . 59.31 110.843 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . 37.7 mt -61.17 -46.31 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 121.894 -0.504 . . . . 48.72 110.643 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 501' ' ' HOH . 61.8 mt-30 -57.33 -41.52 80.13 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.11 -0.369 . . . . 79.65 111.871 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' THR . . . . . . . . . . . . . 7.3 m -82.09 -34.4 29.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 112.181 0.437 . . . . 59.26 112.181 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 27.5 mt -92.83 -25.9 17.91 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 114.064 1.135 . . . . 59.21 114.064 -171.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.2 125.32 24.15 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.555 -0.858 . . . . 80.8 109.784 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 -3.95 80.64 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.429 0.931 . . . . 65.1 115.429 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -74.14 162.56 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.789 1.294 . . . . 98.22 110.336 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -101.4 140.89 35.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.657 -0.702 . . . . 78.92 109.584 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -142.24 114.07 8.03 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.204 -1.036 . . . . 78.97 108.204 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 54.54 35.52 56.94 Favored Glycine 0 N--CA 1.462 0.39 0 CA-C-N 115.82 -0.627 . . . . 77.84 113.957 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.47 4.23 85.97 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.12 -0.822 . . . . 80.44 115.104 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -115.25 136.68 52.84 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 118.153 0.977 . . . . 108.37 109.072 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -85.02 123.04 30.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.671 -0.863 . . . . 81.05 108.671 171.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 23.4 pt -101.3 160.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.024 0.916 . . . . 58.95 109.436 -172.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 77.7 p -114.9 151.29 34.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.415 -0.811 . . . . 57.77 109.355 169.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -138.71 132.03 30.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.507 -1.294 . . . . 49.04 107.507 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.66 151.88 34.46 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.899 0.749 . . . . 95.88 109.066 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -58.46 136.95 57.61 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.944 -0.571 . . . . 50.81 110.407 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -55.25 143.67 27.19 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.076 -0.712 . . . . 56.92 109.076 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -82.64 0.07 44.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 118.901 -0.571 . . . . 64.73 112.411 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' GLY . . . . . . . . . . . . . . . 81.06 -7.89 58.81 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 119.08 -0.844 . . . . 65.82 114.76 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' THR . . . . . . . . . . . . . 11.4 p -127.57 -35.16 2.16 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.315 1.228 . . . . 92.05 114.315 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' THR . . . . . . . . . . . . . 96.0 m -75.64 137.41 40.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.273 0.942 . . . . 64.57 111.19 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.6 159.16 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.936 -1.135 . . . . 96.48 107.936 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 116.342 -0.39 . . . . 58.34 111.376 -172.68 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.204 -1.339 0 CA-C-O 120.731 0.3 . . . . 115.14 111.293 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mtt85 -96.28 -1.31 48.24 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 115.141 -0.936 . . . . 113.06 112.119 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -61.81 127.9 33.65 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.478 1.288 . . . . 105.62 114.478 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 75.51 2.6 3.83 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 120.77 3.619 . . . . 112.74 120.77 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.03 115.4 6.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 C-N-CA 122.798 0.439 . . . . 121.19 110.057 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 114.356 1.243 . . . . 118.42 114.356 -178.833 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' A' ' 330' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_