data_6tqq_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 6tqq _Structure_validation_residue.Date_analyzed 2020-05-29 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 ' 6' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.819 0.343 . . . . 151.56 110.714 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.61 133.21 41.4 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 142.96 109.944 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -88.89 116.07 26.9 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.304 -0.628 . . . . 105.61 109.304 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 10' ' ' SER . 34.8 p30 -61.99 -34.74 76.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.545 -0.462 . . . . 177.58 111.334 -179.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 57.1 m -70.13 -47.26 62.48 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.529 -0.468 . . . . 131.47 111.222 -173.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.52 -49.23 79.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.999 -0.438 . . . . 117.06 110.74 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -48.63 -51.78 26.47 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 121.852 -0.53 . . . . 122.67 111.014 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.0 -19.9 59.88 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.451 0.537 . . . . 124.33 112.451 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.25 -42.38 44.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.362 -0.535 . . . . 92.95 110.239 172.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.5 mt -65.67 -45.89 90.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.655 -0.653 . . . . 85.17 110.114 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -58.29 -52.58 57.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.238 0.542 . . . . 88.74 110.327 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.99 -44.45 91.62 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.974 -0.691 . . . . 90.04 110.956 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -54.77 -48.3 72.83 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.79 -0.364 . . . . 77.26 111.454 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -67.13 -44.98 87.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.35 -0.54 . . . . 83.93 110.579 -178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.94 -49.83 74.47 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.853 -0.529 . . . . 85.23 110.934 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -50.2 -43.53 52.59 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.647 -0.421 . . . . 91.63 110.863 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -66.17 -32.07 73.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.276 -0.569 . . . . 92.97 111.391 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.76 61.93 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.652 -0.419 . . . . 99.1 111.606 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.45 -43.41 77.09 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.368 -0.533 . . . . 87.18 110.898 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.9 -37.92 49.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.869 0.366 . . . . 105.84 110.6 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -72.66 -28.91 63.0 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.781 -0.768 . . . . 103.19 111.52 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -70.94 -30.4 66.7 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.293 -0.563 . . . . 119.75 111.269 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -42.88 80.58 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.269 -0.172 . . . . 115.28 111.321 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -64.04 -15.1 58.72 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.52 -0.472 . . . . 152.34 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 tpt -80.58 -12.93 59.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.609 0.596 . . . . 136.08 112.609 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.96 131.59 35.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.312 0.506 . . . . 123.04 109.681 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -96.96 170.32 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.708 0.766 . . . . 135.93 111.039 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -41.45 -50.01 3.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.226 -0.897 . . . . 139.65 111.428 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -59.9 -54.07 50.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.941 0.4 . . . . 152.53 110.746 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -68.52 -33.32 73.91 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.936 0.346 . . . . 150.9 111.936 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . 0.668 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 3.2 m120 -63.34 -35.71 81.28 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.091 -0.644 . . . . 121.51 111.538 178.312 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -78.3 -45.3 23.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.866 -0.734 . . . . 139.25 111.158 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -48.81 -47.07 42.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.533 -0.467 . . . . 131.05 110.552 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.3 tp -51.86 -55.37 20.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.156 0.503 . . . . 124.37 111.317 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . 0.668 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 57.9 m-80 -61.28 -39.95 92.32 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.482 -0.487 . . . . 122.12 111.176 -177.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.94 -46.34 75.04 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.392 -0.523 . . . . 134.75 111.028 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -38.78 81.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.45 -0.5 . . . . 112.56 110.331 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -51.66 -52.69 46.02 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.922 -0.486 . . . . 127.99 110.578 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.52 -44.0 95.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.413 -0.515 . . . . 137.71 111.315 -175.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -62.34 -52.39 63.82 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.27 -0.572 . . . . 114.5 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.42 -24.44 67.84 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.61 0.596 . . . . 108.3 112.61 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -73.36 -49.72 25.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.365 0.53 . . . . 123.74 111.023 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.08 -37.96 78.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.541 -0.463 . . . . 131.05 111.11 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.19 -32.76 45.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.16 -0.338 . . . . 140.82 110.563 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -75.03 -29.42 60.78 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.51 -0.476 . . . . 113.42 112.074 -167.926 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.3 -53.98 7.85 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.965 -0.694 . . . . 159.34 111.086 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -66.63 -40.47 88.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.579 -0.449 . . . . 167.6 110.859 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.35 15.84 27.41 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.374 0.509 . . . . 94.17 112.374 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 50' ' ' MET . 42.8 tttt -55.64 -52.06 75.08 Favored Pre-proline 0 C--O 1.243 0.752 0 C-N-CA 119.18 -1.008 . . . . 179.8 110.082 159.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -45.26 -47.28 12.86 Favored 'Trans proline' 0 C--O 1.236 0.393 0 CA-C-N 120.681 1.279 . . . . 109.42 112.969 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.41 -39.84 27.55 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.693 -0.403 . . . . 93.84 111.772 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.05 -30.89 64.06 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.768 -0.373 . . . . 84.97 111.995 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -60.89 -41.55 96.25 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.808 -0.757 . . . . 99.06 110.69 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.53 -38.87 75.4 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.528 -0.469 . . . . 85.7 111.104 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.65 -45.14 89.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.352 -0.539 . . . . 77.49 110.07 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' LEU . 63.3 m -58.3 -23.33 56.09 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 121.989 -0.444 . . . . 87.55 111.964 174.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.5 t -83.49 -49.98 8.73 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.29 0.495 . . . . 94.41 111.654 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.0 -65.69 0.51 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.628 -0.508 . . . . 72.17 109.628 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' CYS . 3.4 mt -58.19 114.98 2.64 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.001 -1.481 . . . . 78.42 107.001 165.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.69 89.04 0.25 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.654 -0.819 . . . . 108.14 109.904 174.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -77.83 -12.95 13.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.713 0.634 . . . . 102.09 112.713 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -2.71 37.9 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.497 0.554 . . . . 138.14 112.497 175.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . 0.532 ' OD1' ' OG ' ' A' ' 70' ' ' SER . 5.2 t70 -72.61 -26.13 61.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.2 0.455 . . . . 95.37 111.423 -175.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.8 m 49.11 19.18 0.28 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.942 0.897 . . . . 92.43 113.013 166.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . 0.532 ' OG ' ' OD1' ' A' ' 68' ' ' ASP . 47.9 p -123.69 150.69 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.164 -0.96 . . . . 90.38 110.006 -176.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.54 -47.36 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.166 -0.614 . . . . 134.56 111.085 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -49.06 -35.12 15.04 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.126 -0.63 . . . . 131.93 110.936 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -93.17 -44.4 8.37 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 122.187 -0.32 . . . . 104.1 111.758 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.1 -33.15 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.56 -0.456 . . . . 90.79 110.729 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -62.85 -36.65 83.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.799 -0.76 . . . . 111.52 110.547 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.61 -38.69 74.0 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.658 -0.417 . . . . 120.82 111.011 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.86 -42.18 88.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 120.572 -0.451 . . . . 126.97 110.222 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -62.8 -53.09 59.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.96 -0.463 . . . . 135.65 111.069 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -52.04 -46.36 65.02 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.377 . . . . 106.45 111.11 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.61 -40.65 88.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.327 -0.549 . . . . 143.19 111.222 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -66.96 -40.8 86.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.987 -0.685 . . . . 142.39 110.383 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.41 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.098 -0.641 . . . . 192.33 110.29 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.39 -38.93 78.33 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.928 -0.483 . . . . 109.22 111.227 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -65.68 -38.72 90.06 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.377 -0.529 . . . . 121.08 111.276 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.52 -44.59 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.242 -0.583 . . . . 98.12 111.018 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -60.69 -34.44 74.36 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.283 -0.567 . . . . 105.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.212 -0.305 . . . . 112.74 110.535 174.981 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.091 0.404 . . . . 103.92 112.091 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.17 158.92 42.62 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 120.194 -0.602 . . . . 126.96 109.873 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.06 -42.44 52.92 Favored 'Trans proline' 0 C--O 1.237 0.433 0 N-CA-C 114.541 0.939 . . . . 109.78 114.541 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . 0.652 ' OG ' ' OD1' ' B' ' 169' ' ' ASN . 39.7 m -55.92 -48.97 74.73 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.58 0.627 . . . . 123.51 111.185 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.49 -42.56 84.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 120.474 -0.49 . . . . 117.56 110.188 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -57.25 -53.19 60.87 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.911 -0.493 . . . . 95.88 111.097 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.3 -28.99 60.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.092 -0.643 . . . . 88.25 111.18 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.57 -35.9 60.5 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.51 -0.476 . . . . 88.65 111.521 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.81 -43.92 99.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 119.928 -0.709 . . . . 87.61 109.918 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.2 -48.31 79.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.345 0.593 . . . . 84.2 110.242 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m -59.68 -46.1 90.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.351 -0.539 . . . . 76.53 110.873 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -50.76 -51.42 50.42 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.03 0.443 . . . . 79.8 110.781 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.84 -42.31 92.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.125 0.488 . . . . 75.12 110.54 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 m -58.02 -36.59 72.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.779 -1.169 . . . . 86.15 110.716 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.6 ttt -74.52 -31.32 62.12 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.793 -0.763 . . . . 111.03 112.0 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.96 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.317 -0.553 . . . . 86.19 109.883 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.7 t -65.31 -45.55 93.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.073 0.463 . . . . 88.44 110.01 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -55.43 -41.8 73.3 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.446 -0.501 . . . . 110.0 111.308 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 83.2 mtp -74.81 -48.7 23.89 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.592 -0.443 . . . . 123.8 111.301 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -94.85 17.74 13.12 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.062 0.764 . . . . 90.54 113.062 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.25 78.25 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.846 -0.692 . . . . 86.37 114.087 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -80.79 -27.44 36.65 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 117.729 0.765 . . . . 104.36 111.939 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.29 -15.99 63.67 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 118.81 112.063 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.98 168.37 26.1 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-O 122.952 1.307 . . . . 75.74 112.396 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.7 127.44 33.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.044 -1.078 . . . . 168.32 109.919 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -124.73 156.53 37.5 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.426 0.631 . . . . 105.42 109.521 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.58 -49.64 15.19 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.404 -0.816 . . . . 78.74 110.927 -169.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.37 -48.94 18.0 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 119.961 1.022 . . . . 87.48 114.114 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.8 mmm -52.08 -43.7 64.0 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.19 -0.604 . . . . 80.91 111.333 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 p -55.45 -51.3 67.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.641 -0.824 . . . . 85.46 110.129 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -55.49 -33.32 63.59 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.947 -0.701 . . . . 70.17 111.032 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 tt -71.77 -50.02 33.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.396 -0.522 . . . . 105.59 110.745 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.91 -38.05 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.602 -0.439 . . . . 99.06 110.573 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.22 -49.39 35.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.315 -0.554 . . . . 89.57 111.038 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -64.77 -33.01 74.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.786 -0.366 . . . . 90.78 111.98 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.9 mm -77.2 -48.89 23.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.47 -0.492 . . . . 106.67 110.261 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.21 -38.43 26.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.974 -0.69 . . . . 68.46 110.813 171.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.36 -52.59 52.66 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.95 -0.3 . . . . 73.53 111.234 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -60.45 -33.77 73.04 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.278 -0.569 . . . . 108.33 111.461 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.27 -35.94 75.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.116 -0.633 . . . . 87.86 110.24 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -62.65 -20.22 64.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.208 -0.597 . . . . 113.45 112.155 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -53.39 133.94 40.2 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.034 0.379 . . . . 121.84 110.482 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 48.16 51.48 14.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.169 0.985 . . . . 128.4 110.036 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 p -55.61 -26.22 42.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.876 -1.056 . . . . 133.55 112.043 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -48.17 -51.78 23.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.818 0.342 . . . . 140.14 111.816 -170.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -62.5 -27.77 69.37 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.724 -0.391 . . . . 130.43 111.814 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.17 -43.15 19.76 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.488 -0.485 . . . . 108.71 111.502 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 38.6 mm -50.98 -45.62 29.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.362 0.601 . . . . 118.98 109.853 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -57.86 -44.31 86.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.664 -0.414 . . . . 125.41 111.156 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.64 -50.19 70.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.534 -0.466 . . . . 137.17 111.294 -175.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 38.7 pt -76.26 -19.83 15.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 120.159 -0.617 . . . . 121.75 111.913 -174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -101.18 -4.37 27.36 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.898 1.073 . . . . 148.22 113.898 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.69 6.92 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.12 0.873 . . . . 163.7 112.132 163.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -56.22 -48.55 76.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.276 -0.57 . . . . 166.95 110.882 166.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 122.619 0.368 . . . . 153.25 110.679 176.773 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.648 0.261 . . . . 172.69 111.571 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' MET . . . . . . . . . . . . . 66.9 mtt -77.71 -24.02 49.31 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.699 0.629 . . . . 181.26 112.699 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -56.75 -47.24 99.36 Favored Pre-proline 0 C--O 1.241 0.627 0 CA-C-O 118.684 -0.674 . . . . 167.88 112.424 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -55.41 -33.87 87.21 Favored 'Trans proline' 0 C--O 1.238 0.482 0 CA-C-N 120.744 1.301 . . . . 140.69 113.607 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.76 -39.23 90.85 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.352 -0.539 . . . . 137.2 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.9 mt -67.26 -53.69 30.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.05 0.453 . . . . 113.91 110.273 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -58.77 -28.86 66.32 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.053 -0.405 . . . . 107.78 111.971 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.31 -46.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.164 -0.614 . . . . 129.94 110.336 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.09 80.42 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.327 -0.549 . . . . 91.05 110.909 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -64.9 -40.55 95.26 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.727 -0.389 . . . . 137.22 111.035 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' GLU . . . . . 0.842 ' OE2' ' NH1' ' B' ' 163' ' ' ARG . 31.1 tp10 -73.18 -29.59 62.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.337 -0.545 . . . . 90.35 111.471 -177.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.4 mt -73.34 -30.36 63.28 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.051 -0.66 . . . . 113.6 111.188 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -66.05 -31.16 71.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.482 -0.487 . . . . 163.82 111.572 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' ARG . . . . . 0.842 ' NH1' ' OE2' ' B' ' 160' ' ' GLU . 6.8 ttp-105 -70.14 -44.2 69.37 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.946 -0.702 . . . . 121.82 111.378 176.59 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.01 -43.64 92.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.583 -0.447 . . . . 93.86 110.331 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' GLY . . . . . . . . . . . . . . . -65.11 -35.75 92.13 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.313 -0.946 . . . . 72.06 113.266 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.21 -64.05 1.05 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.54 0.67 . . . . 88.73 110.664 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.03 -35.53 6.88 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.004 -0.435 . . . . 95.19 111.313 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -84.76 -9.8 57.84 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.294 0.849 . . . . 124.05 113.294 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' ASN . . . . . 0.652 ' OD1' ' OG ' ' A' ' 92' ' ' SER . 37.9 m-20 -81.78 -31.49 31.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.754 0.706 . . . . 141.12 111.889 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' ALA . . . . . . . . . . . . . . . -72.75 -39.35 66.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.51 -0.476 . . . . 164.64 111.346 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 146.33 110.97 -178.43 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.819 0.343 . . . . 131.18 110.714 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.61 133.21 41.4 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 138.56 109.944 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -88.89 116.07 26.9 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.304 -0.628 . . . . 105.61 109.304 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 10' ' ' SER . 34.8 p30 -61.99 -34.74 76.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.545 -0.462 . . . . 149.48 111.334 -179.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 57.1 m -70.13 -47.26 62.48 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.529 -0.468 . . . . 109.33 111.222 -173.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.52 -49.23 79.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.999 -0.438 . . . . 97.32 110.74 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -48.63 -51.78 26.47 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 121.852 -0.53 . . . . 101.99 111.014 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.0 -19.9 59.88 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.451 0.537 . . . . 103.38 112.451 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.25 -42.38 44.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.362 -0.535 . . . . 77.23 110.239 172.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.5 mt -65.67 -45.89 90.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.655 -0.653 . . . . 70.75 110.114 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -58.29 -52.58 57.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.238 0.542 . . . . 73.72 110.327 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.99 -44.45 91.62 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.974 -0.691 . . . . 75.99 110.956 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -54.77 -48.3 72.83 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.79 -0.364 . . . . 64.16 111.454 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -67.13 -44.98 87.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.35 -0.54 . . . . 70.8 110.579 -178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.94 -49.83 74.47 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.853 -0.529 . . . . 70.84 110.934 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -50.2 -43.53 52.59 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.647 -0.421 . . . . 88.22 110.863 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -66.17 -32.07 73.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.276 -0.569 . . . . 77.24 111.391 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.76 61.93 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.652 -0.419 . . . . 82.35 111.606 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.45 -43.41 77.09 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.368 -0.533 . . . . 85.97 110.898 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.9 -37.92 49.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.869 0.366 . . . . 87.97 110.6 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -72.66 -28.91 63.0 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.781 -0.768 . . . . 85.76 111.52 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -70.94 -30.4 66.7 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.293 -0.563 . . . . 101.27 111.269 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -42.88 80.58 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.269 -0.172 . . . . 97.32 111.321 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -64.04 -15.1 58.72 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.52 -0.472 . . . . 126.72 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 tpt -80.58 -12.93 59.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.609 0.596 . . . . 113.17 112.609 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.96 131.59 35.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.312 0.506 . . . . 103.12 109.681 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -96.96 170.32 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.708 0.766 . . . . 113.05 111.039 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -41.45 -50.01 3.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.226 -0.897 . . . . 126.54 111.428 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -59.9 -54.07 50.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.941 0.4 . . . . 135.97 110.746 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -68.52 -33.32 73.91 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.936 0.346 . . . . 125.52 111.936 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . 0.668 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 3.2 m120 -63.34 -35.71 81.28 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.091 -0.644 . . . . 101.03 111.538 178.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -78.3 -45.3 23.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.866 -0.734 . . . . 116.1 111.158 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -48.81 -47.07 42.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.533 -0.467 . . . . 108.98 110.552 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.3 tp -51.86 -55.37 20.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.156 0.503 . . . . 103.42 111.317 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . 0.668 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 57.9 m-80 -61.28 -39.95 92.32 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.482 -0.487 . . . . 103.63 111.176 -177.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.94 -46.34 75.04 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.392 -0.523 . . . . 112.07 111.028 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -38.78 81.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.45 -0.5 . . . . 93.57 110.331 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -51.66 -52.69 46.02 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.922 -0.486 . . . . 106.43 110.578 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.52 -44.0 95.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.413 -0.515 . . . . 119.76 111.315 -175.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -62.34 -52.39 63.82 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.27 -0.572 . . . . 101.68 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.42 -24.44 67.84 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.61 0.596 . . . . 90.02 112.61 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -73.36 -49.72 25.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.365 0.53 . . . . 107.61 111.023 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.08 -37.96 78.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.541 -0.463 . . . . 109.03 111.11 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.19 -32.76 45.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.16 -0.338 . . . . 117.12 110.563 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -75.03 -29.42 60.78 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.51 -0.476 . . . . 96.77 112.074 -167.926 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.3 -53.98 7.85 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.965 -0.694 . . . . 132.56 111.086 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -66.63 -40.47 88.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.579 -0.449 . . . . 139.44 110.859 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.35 15.84 27.41 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.374 0.509 . . . . 78.24 112.374 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 50' ' ' MET . 42.8 tttt -55.64 -52.06 75.08 Favored Pre-proline 0 C--O 1.243 0.752 0 C-N-CA 119.18 -1.008 . . . . 149.6 110.082 159.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -45.26 -47.28 12.86 Favored 'Trans proline' 0 C--O 1.236 0.393 0 CA-C-N 120.681 1.279 . . . . 90.96 112.969 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.41 -39.84 27.55 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.693 -0.403 . . . . 77.97 111.772 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.05 -30.89 64.06 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.768 -0.373 . . . . 70.58 111.995 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -60.89 -41.55 96.25 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.808 -0.757 . . . . 82.32 110.69 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.53 -38.87 75.4 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.528 -0.469 . . . . 71.19 111.104 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.65 -45.14 89.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.352 -0.539 . . . . 69.92 110.07 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' LEU . 63.3 m -58.3 -23.33 56.09 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 121.989 -0.444 . . . . 72.73 111.964 174.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.5 t -83.49 -49.98 8.73 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.29 0.495 . . . . 78.44 111.654 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.0 -65.69 0.51 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.628 -0.508 . . . . 72.17 109.628 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' CYS . 3.4 mt -58.19 114.98 2.64 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.001 -1.481 . . . . 78.42 107.001 165.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.69 89.04 0.25 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.654 -0.819 . . . . 108.14 109.904 174.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -77.83 -12.95 13.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.713 0.634 . . . . 84.85 112.713 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -2.71 37.9 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.497 0.554 . . . . 121.9 112.497 175.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . 0.531 ' OD1' ' OG ' ' A' ' 70' ' ' SER . 5.2 t70 -72.61 -26.13 61.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.2 0.455 . . . . 82.97 111.423 -175.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 69' ' ' THR . 6.8 m 49.11 19.18 0.28 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.942 0.897 . . . . 92.43 113.013 166.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . 0.531 ' OG ' ' OD1' ' A' ' 68' ' ' ASP . 47.9 p -123.69 150.69 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.164 -0.96 . . . . 90.38 110.006 -176.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.54 -47.36 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.166 -0.614 . . . . 119.96 111.085 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' OE1' ' HB2' ' A' ' 70' ' ' SER . 20.2 mp0 -49.06 -35.12 15.04 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.126 -0.63 . . . . 117.75 110.936 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -93.17 -44.4 8.37 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 122.187 -0.32 . . . . 86.52 111.758 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.1 -33.15 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.56 -0.456 . . . . 79.4 110.729 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -62.85 -36.65 83.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.799 -0.76 . . . . 92.7 110.547 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.61 -38.69 74.0 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.658 -0.417 . . . . 100.45 111.011 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.86 -42.18 88.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 120.572 -0.451 . . . . 105.58 110.222 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -62.8 -53.09 59.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.96 -0.463 . . . . 112.82 111.069 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -52.04 -46.36 65.02 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.377 . . . . 98.62 111.11 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.61 -40.65 88.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.327 -0.549 . . . . 119.1 111.222 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -66.96 -40.8 86.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.987 -0.685 . . . . 118.43 110.383 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.41 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.098 -0.641 . . . . 192.33 110.29 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.39 -38.93 78.33 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.928 -0.483 . . . . 109.22 111.227 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -65.68 -38.72 90.06 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.377 -0.529 . . . . 100.67 111.276 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.52 -44.59 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.242 -0.583 . . . . 91.36 111.018 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -60.69 -34.44 74.36 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.283 -0.567 . . . . 88.45 110.906 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.212 -0.305 . . . . 93.72 110.535 174.981 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.091 0.404 . . . . 103.92 112.091 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.17 158.92 42.62 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 120.194 -0.602 . . . . 105.57 109.873 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.06 -42.44 52.92 Favored 'Trans proline' 0 C--O 1.237 0.433 0 N-CA-C 114.541 0.939 . . . . 91.26 114.541 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . 0.652 ' OG ' ' OD1' ' B' ' 169' ' ' ASN . 39.7 m -55.92 -48.97 74.73 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.58 0.627 . . . . 102.7 111.185 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.49 -42.56 84.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 120.474 -0.49 . . . . 97.74 110.188 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -57.25 -53.19 60.87 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.911 -0.493 . . . . 89.04 111.097 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.3 -28.99 60.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.092 -0.643 . . . . 73.32 111.18 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.57 -35.9 60.5 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.51 -0.476 . . . . 73.95 111.521 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.81 -43.92 99.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 119.928 -0.709 . . . . 72.78 109.918 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.2 -48.31 79.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.345 0.593 . . . . 69.94 110.242 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m -59.68 -46.1 90.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.351 -0.539 . . . . 64.6 110.873 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -50.76 -51.42 50.42 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.03 0.443 . . . . 66.27 110.781 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.84 -42.31 92.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.125 0.488 . . . . 62.37 110.54 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 m -58.02 -36.59 72.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.779 -1.169 . . . . 74.28 110.716 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.6 ttt -74.52 -31.32 62.12 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.793 -0.763 . . . . 92.3 112.0 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.96 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.317 -0.553 . . . . 86.19 109.883 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.7 t -65.31 -45.55 93.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.073 0.463 . . . . 73.77 110.01 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -55.43 -41.8 73.3 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.446 -0.501 . . . . 100.28 111.308 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 83.2 mtp -74.81 -48.7 23.89 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.592 -0.443 . . . . 102.93 111.301 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -94.85 17.74 13.12 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.062 0.764 . . . . 79.32 113.062 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.25 78.25 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.846 -0.692 . . . . 78.98 114.087 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -80.79 -27.44 36.65 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 117.729 0.765 . . . . 86.74 111.939 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.29 -15.99 63.67 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 98.78 112.063 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.98 168.37 26.1 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-O 122.952 1.307 . . . . 70.98 112.396 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.7 127.44 33.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.044 -1.078 . . . . 140.04 109.919 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -124.73 156.53 37.5 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.426 0.631 . . . . 87.62 109.521 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.58 -49.64 15.19 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.404 -0.816 . . . . 65.39 110.927 -169.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.37 -48.94 18.0 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 119.961 1.022 . . . . 72.67 114.114 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.8 mmm -52.08 -43.7 64.0 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.19 -0.604 . . . . 67.29 111.333 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 p -55.45 -51.3 67.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.641 -0.824 . . . . 73.17 110.129 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -55.49 -33.32 63.59 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.947 -0.701 . . . . 67.29 111.032 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 tt -71.77 -50.02 33.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.396 -0.522 . . . . 87.77 110.745 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.91 -38.05 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.602 -0.439 . . . . 82.32 110.573 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.22 -49.39 35.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.315 -0.554 . . . . 89.57 111.038 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -64.77 -33.01 74.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.786 -0.366 . . . . 75.46 111.98 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.9 mm -77.2 -48.89 23.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.47 -0.492 . . . . 88.66 110.261 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.21 -38.43 26.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.974 -0.69 . . . . 56.9 110.813 171.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.36 -52.59 52.66 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.95 -0.3 . . . . 62.01 111.234 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -60.45 -33.77 73.04 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.278 -0.569 . . . . 90.04 111.461 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.27 -35.94 75.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.116 -0.633 . . . . 85.65 110.24 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -62.65 -20.22 64.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.208 -0.597 . . . . 94.32 112.155 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -53.39 133.94 40.2 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.034 0.379 . . . . 108.8 110.482 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 48.16 51.48 14.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.169 0.985 . . . . 106.77 110.036 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 p -55.61 -26.22 42.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.876 -1.056 . . . . 111.06 112.043 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -48.17 -51.78 23.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.818 0.342 . . . . 124.9 111.816 -170.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -62.5 -27.77 69.37 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.724 -0.391 . . . . 114.33 111.814 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.17 -43.15 19.76 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.488 -0.485 . . . . 90.36 111.502 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 38.6 mm -50.98 -45.62 29.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.362 0.601 . . . . 116.7 109.853 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -57.86 -44.31 86.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.664 -0.414 . . . . 104.59 111.156 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.64 -50.19 70.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.534 -0.466 . . . . 114.08 111.294 -175.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 38.7 pt -76.26 -19.83 15.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 120.159 -0.617 . . . . 102.04 111.913 -174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -101.18 -4.37 27.36 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.898 1.073 . . . . 124.99 113.898 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.69 6.92 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.12 0.873 . . . . 162.81 112.132 163.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -56.22 -48.55 76.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.276 -0.57 . . . . 138.89 110.882 166.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 122.619 0.368 . . . . 153.25 110.679 176.773 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 150' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.648 0.261 . . . . 145.22 111.571 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' MET . . . . . . . . . . . . . 66.9 mtt -77.71 -24.02 49.31 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.699 0.629 . . . . 159.7 112.699 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -56.75 -47.24 99.36 Favored Pre-proline 0 C--O 1.241 0.627 0 CA-C-O 118.684 -0.674 . . . . 139.67 112.424 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -55.41 -33.87 87.21 Favored 'Trans proline' 0 C--O 1.238 0.482 0 CA-C-N 120.744 1.301 . . . . 117.01 113.607 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.76 -39.23 90.85 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.352 -0.539 . . . . 122.44 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.9 mt -67.26 -53.69 30.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.05 0.453 . . . . 94.7 110.273 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -58.77 -28.86 66.32 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.053 -0.405 . . . . 89.59 111.971 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.31 -46.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.164 -0.614 . . . . 108.05 110.336 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.09 80.42 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.327 -0.549 . . . . 75.64 110.909 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -64.9 -40.55 95.26 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.727 -0.389 . . . . 114.12 111.035 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' GLU . . . . . 0.842 ' OE2' ' NH1' ' B' ' 163' ' ' ARG . 31.1 tp10 -73.18 -29.59 62.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.337 -0.545 . . . . 77.04 111.471 -177.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.4 mt -73.34 -30.36 63.28 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.051 -0.66 . . . . 94.43 111.188 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -66.05 -31.16 71.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.482 -0.487 . . . . 136.29 111.572 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' ARG . . . . . 0.842 ' NH1' ' OE2' ' B' ' 160' ' ' GLU . 6.8 ttp-105 -70.14 -44.2 69.37 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.946 -0.702 . . . . 101.29 111.378 176.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.01 -43.64 92.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.583 -0.447 . . . . 77.99 110.331 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' GLY . . . . . . . . . . . . . . . -65.11 -35.75 92.13 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.313 -0.946 . . . . 68.22 113.266 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.21 -64.05 1.05 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.54 0.67 . . . . 79.97 110.664 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.03 -35.53 6.88 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.004 -0.435 . . . . 94.39 111.313 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -84.76 -9.8 57.84 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.294 0.849 . . . . 124.05 113.294 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' ASN . . . . . 0.652 ' OD1' ' OG ' ' A' ' 92' ' ' SER . 37.9 m-20 -81.78 -31.49 31.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.754 0.706 . . . . 117.37 111.889 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 170' ' ' ALA . . . . . . . . . . . . . . . -72.75 -39.35 66.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.51 -0.476 . . . . 140.82 111.346 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 132.13 110.97 -178.43 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.819 0.343 . . . . 131.18 110.714 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.61 133.21 41.4 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 138.56 109.944 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -88.89 116.07 26.9 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.304 -0.628 . . . . 105.61 109.304 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 10' ' ' SER . 34.8 p30 -61.99 -34.74 76.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.545 -0.462 . . . . 149.48 111.334 -179.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 57.1 m -70.13 -47.26 62.48 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.529 -0.468 . . . . 109.33 111.222 -173.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.52 -49.23 79.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.999 -0.438 . . . . 97.32 110.74 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -48.63 -51.78 26.47 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 121.852 -0.53 . . . . 101.99 111.014 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.0 -19.9 59.88 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.451 0.537 . . . . 103.38 112.451 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.25 -42.38 44.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.362 -0.535 . . . . 77.23 110.239 172.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.5 mt -65.67 -45.89 90.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.655 -0.653 . . . . 70.75 110.114 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -58.29 -52.58 57.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.238 0.542 . . . . 73.72 110.327 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.99 -44.45 91.62 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.974 -0.691 . . . . 75.99 110.956 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -54.77 -48.3 72.83 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.79 -0.364 . . . . 64.16 111.454 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -67.13 -44.98 87.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.35 -0.54 . . . . 70.8 110.579 -178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.94 -49.83 74.47 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.853 -0.529 . . . . 70.84 110.934 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -50.2 -43.53 52.59 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.647 -0.421 . . . . 88.22 110.863 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -66.17 -32.07 73.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.276 -0.569 . . . . 77.24 111.391 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.76 61.93 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.652 -0.419 . . . . 82.35 111.606 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.45 -43.41 77.09 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.368 -0.533 . . . . 85.97 110.898 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.9 -37.92 49.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.869 0.366 . . . . 87.97 110.6 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -72.66 -28.91 63.0 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.781 -0.768 . . . . 85.76 111.52 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -70.94 -30.4 66.7 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.293 -0.563 . . . . 101.27 111.269 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -42.88 80.58 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.269 -0.172 . . . . 97.32 111.321 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -64.04 -15.1 58.72 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.52 -0.472 . . . . 126.72 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 tpt -80.58 -12.93 59.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.609 0.596 . . . . 113.17 112.609 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.96 131.59 35.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.312 0.506 . . . . 103.12 109.681 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -96.96 170.32 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.708 0.766 . . . . 113.05 111.039 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -41.45 -50.01 3.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.226 -0.897 . . . . 126.54 111.428 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -59.9 -54.07 50.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.941 0.4 . . . . 135.97 110.746 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -68.52 -33.32 73.91 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.936 0.346 . . . . 125.52 111.936 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.668 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 3.2 m120 -63.34 -35.71 81.28 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.091 -0.644 . . . . 101.03 111.538 178.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -78.3 -45.3 23.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.866 -0.734 . . . . 116.1 111.158 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -48.81 -47.07 42.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.533 -0.467 . . . . 108.98 110.552 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.3 tp -51.86 -55.37 20.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.156 0.503 . . . . 103.42 111.317 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.668 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 57.9 m-80 -61.28 -39.95 92.32 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.482 -0.487 . . . . 103.63 111.176 -177.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.94 -46.34 75.04 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.392 -0.523 . . . . 112.07 111.028 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -38.78 81.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.45 -0.5 . . . . 93.57 110.331 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -51.66 -52.69 46.02 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.922 -0.486 . . . . 106.43 110.578 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.52 -44.0 95.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.413 -0.515 . . . . 119.76 111.315 -175.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -62.34 -52.39 63.82 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.27 -0.572 . . . . 101.68 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.42 -24.44 67.84 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.61 0.596 . . . . 90.02 112.61 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -73.36 -49.72 25.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.365 0.53 . . . . 107.61 111.023 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.08 -37.96 78.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.541 -0.463 . . . . 109.03 111.11 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.19 -32.76 45.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 O-C-N 122.16 -0.338 . . . . 117.12 110.563 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -75.03 -29.42 60.78 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.51 -0.476 . . . . 96.77 112.074 -167.926 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.3 -53.98 7.85 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.965 -0.694 . . . . 132.56 111.086 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -66.63 -40.47 88.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.579 -0.449 . . . . 139.44 110.859 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.35 15.84 27.41 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.374 0.509 . . . . 78.24 112.374 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 50' ' ' MET . 42.8 tttt -55.64 -52.06 75.08 Favored Pre-proline 0 C--O 1.243 0.752 0 C-N-CA 119.18 -1.008 . . . . 149.6 110.082 159.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -45.26 -47.28 12.86 Favored 'Trans proline' 0 C--O 1.236 0.393 0 CA-C-N 120.681 1.279 . . . . 90.96 112.969 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.41 -39.84 27.55 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.693 -0.403 . . . . 77.97 111.772 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.05 -30.89 64.06 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.768 -0.373 . . . . 70.58 111.995 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -60.89 -41.55 96.25 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.808 -0.757 . . . . 82.32 110.69 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.53 -38.87 75.4 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.528 -0.469 . . . . 71.19 111.104 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.6 mt -66.65 -45.14 89.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.352 -0.539 . . . . 69.92 110.07 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' LEU . 63.3 m -58.3 -23.33 56.09 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 121.989 -0.444 . . . . 72.73 111.964 174.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.5 t -83.49 -49.98 8.73 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.29 0.495 . . . . 78.44 111.654 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.0 -65.69 0.51 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.628 -0.508 . . . . 72.17 109.628 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' CYS . 3.4 mt -58.19 114.98 2.64 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.001 -1.481 . . . . 78.42 107.001 165.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.69 89.04 0.25 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.654 -0.819 . . . . 108.14 109.904 174.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -77.83 -12.95 13.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.713 0.634 . . . . 84.85 112.713 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -2.71 37.9 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.497 0.554 . . . . 121.9 112.497 175.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.531 ' OD1' ' OG ' ' A' ' 70' ' ' SER . 5.2 t70 -72.61 -26.13 61.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.2 0.455 . . . . 82.97 111.423 -175.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 69' ' ' THR . 6.8 m 49.11 19.18 0.28 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.942 0.897 . . . . 92.43 113.013 166.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . 0.531 ' OG ' ' OD1' ' A' ' 68' ' ' ASP . 47.9 p -123.69 150.69 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.164 -0.96 . . . . 90.38 110.006 -176.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.54 -47.36 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.166 -0.614 . . . . 119.96 111.085 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' OE1' ' HB2' ' A' ' 70' ' ' SER . 20.2 mp0 -49.06 -35.12 15.04 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.126 -0.63 . . . . 117.75 110.936 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -93.17 -44.4 8.37 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 122.187 -0.32 . . . . 86.52 111.758 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.1 -33.15 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.56 -0.456 . . . . 79.4 110.729 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -62.85 -36.65 83.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.799 -0.76 . . . . 92.7 110.547 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.61 -38.69 74.0 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.658 -0.417 . . . . 100.45 111.011 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.86 -42.18 88.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 120.572 -0.451 . . . . 105.58 110.222 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -62.8 -53.09 59.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.96 -0.463 . . . . 112.82 111.069 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -52.04 -46.36 65.02 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.377 . . . . 98.62 111.11 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.61 -40.65 88.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.327 -0.549 . . . . 119.1 111.222 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -66.96 -40.8 86.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.987 -0.685 . . . . 118.43 110.383 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.41 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.098 -0.641 . . . . 192.33 110.29 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.39 -38.93 78.33 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.928 -0.483 . . . . 109.22 111.227 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -65.68 -38.72 90.06 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.377 -0.529 . . . . 100.67 111.276 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.52 -44.59 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.242 -0.583 . . . . 91.36 111.018 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -60.69 -34.44 74.36 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.283 -0.567 . . . . 88.45 110.906 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.212 -0.305 . . . . 93.72 110.535 174.981 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.091 0.404 . . . . 103.92 112.091 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.17 158.92 42.62 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 120.194 -0.602 . . . . 105.57 109.873 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.06 -42.44 52.92 Favored 'Trans proline' 0 C--O 1.237 0.433 0 N-CA-C 114.541 0.939 . . . . 91.26 114.541 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . 0.652 ' OG ' ' OD1' ' B' ' 169' ' ' ASN . 39.7 m -55.92 -48.97 74.73 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.58 0.627 . . . . 102.7 111.185 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.49 -42.56 84.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 120.474 -0.49 . . . . 97.74 110.188 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -57.25 -53.19 60.87 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.911 -0.493 . . . . 89.04 111.097 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.3 -28.99 60.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.092 -0.643 . . . . 73.32 111.18 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.57 -35.9 60.5 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.51 -0.476 . . . . 73.95 111.521 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.81 -43.92 99.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 119.928 -0.709 . . . . 72.78 109.918 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.2 -48.31 79.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.345 0.593 . . . . 69.94 110.242 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m -59.68 -46.1 90.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.351 -0.539 . . . . 64.6 110.873 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -50.76 -51.42 50.42 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.03 0.443 . . . . 66.27 110.781 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.84 -42.31 92.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.125 0.488 . . . . 62.37 110.54 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 m -58.02 -36.59 72.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.779 -1.169 . . . . 74.28 110.716 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.6 ttt -74.52 -31.32 62.12 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.793 -0.763 . . . . 92.3 112.0 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.96 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.317 -0.553 . . . . 86.19 109.883 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.7 t -65.31 -45.55 93.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.073 0.463 . . . . 73.77 110.01 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -55.43 -41.8 73.3 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.446 -0.501 . . . . 100.28 111.308 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 83.2 mtp -74.81 -48.7 23.89 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.592 -0.443 . . . . 102.93 111.301 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -94.85 17.74 13.12 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.062 0.764 . . . . 79.32 113.062 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.25 78.25 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.846 -0.692 . . . . 78.98 114.087 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -80.79 -27.44 36.65 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 117.729 0.765 . . . . 86.74 111.939 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.29 -15.99 63.67 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 98.78 112.063 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.98 168.37 26.1 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-O 122.952 1.307 . . . . 70.98 112.396 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.7 127.44 33.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.044 -1.078 . . . . 140.04 109.919 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -124.73 156.53 37.5 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.426 0.631 . . . . 87.62 109.521 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.58 -49.64 15.19 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.404 -0.816 . . . . 65.39 110.927 -169.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.37 -48.94 18.0 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 119.961 1.022 . . . . 72.67 114.114 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.8 mmm -52.08 -43.7 64.0 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.19 -0.604 . . . . 67.29 111.333 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 p -55.45 -51.3 67.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.641 -0.824 . . . . 73.17 110.129 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -55.49 -33.32 63.59 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.947 -0.701 . . . . 67.29 111.032 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 tt -71.77 -50.02 33.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.396 -0.522 . . . . 87.77 110.745 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.91 -38.05 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.602 -0.439 . . . . 82.32 110.573 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.22 -49.39 35.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.315 -0.554 . . . . 89.57 111.038 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -64.77 -33.01 74.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.786 -0.366 . . . . 75.46 111.98 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.9 mm -77.2 -48.89 23.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.47 -0.492 . . . . 88.66 110.261 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.21 -38.43 26.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.974 -0.69 . . . . 56.9 110.813 171.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.36 -52.59 52.66 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.95 -0.3 . . . . 62.01 111.234 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -60.45 -33.77 73.04 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.278 -0.569 . . . . 90.04 111.461 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.27 -35.94 75.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.116 -0.633 . . . . 85.65 110.24 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -62.65 -20.22 64.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.208 -0.597 . . . . 94.32 112.155 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -53.39 133.94 40.2 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.034 0.379 . . . . 108.8 110.482 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 48.16 51.48 14.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.169 0.985 . . . . 106.77 110.036 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 p -55.61 -26.22 42.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.876 -1.056 . . . . 111.06 112.043 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -48.17 -51.78 23.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.818 0.342 . . . . 124.9 111.816 -170.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -62.5 -27.77 69.37 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.724 -0.391 . . . . 114.33 111.814 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.17 -43.15 19.76 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.488 -0.485 . . . . 90.36 111.502 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 38.6 mm -50.98 -45.62 29.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.362 0.601 . . . . 116.7 109.853 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -57.86 -44.31 86.51 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.664 -0.414 . . . . 104.59 111.156 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.64 -50.19 70.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.534 -0.466 . . . . 114.08 111.294 -175.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 38.7 pt -76.26 -19.83 15.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 120.159 -0.617 . . . . 102.04 111.913 -174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -101.18 -4.37 27.36 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.898 1.073 . . . . 124.99 113.898 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.69 6.92 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.12 0.873 . . . . 162.81 112.132 163.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -56.22 -48.55 76.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.276 -0.57 . . . . 138.89 110.882 166.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 122.619 0.368 . . . . 153.25 110.679 176.773 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.648 0.261 . . . . 145.22 111.571 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' MET . . . . . . . . . . . . . 66.9 mtt -77.71 -24.02 49.31 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.699 0.629 . . . . 159.7 112.699 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -56.75 -47.24 99.36 Favored Pre-proline 0 C--O 1.241 0.627 0 CA-C-O 118.684 -0.674 . . . . 139.67 112.424 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -55.41 -33.87 87.21 Favored 'Trans proline' 0 C--O 1.238 0.482 0 CA-C-N 120.744 1.301 . . . . 117.01 113.607 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.76 -39.23 90.85 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.352 -0.539 . . . . 122.44 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.9 mt -67.26 -53.69 30.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.05 0.453 . . . . 94.7 110.273 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -58.77 -28.86 66.32 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.053 -0.405 . . . . 89.59 111.971 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.31 -46.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.164 -0.614 . . . . 108.05 110.336 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.09 80.42 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.327 -0.549 . . . . 75.64 110.909 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -64.9 -40.55 95.26 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.727 -0.389 . . . . 114.12 111.035 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' GLU . . . . . 0.842 ' OE2' ' NH1' ' B' ' 163' ' ' ARG . 31.1 tp10 -73.18 -29.59 62.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.337 -0.545 . . . . 77.04 111.471 -177.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.4 mt -73.34 -30.36 63.28 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.051 -0.66 . . . . 94.43 111.188 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -66.05 -31.16 71.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.482 -0.487 . . . . 136.29 111.572 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' ARG . . . . . 0.842 ' NH1' ' OE2' ' B' ' 160' ' ' GLU . 6.8 ttp-105 -70.14 -44.2 69.37 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.946 -0.702 . . . . 101.29 111.378 176.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.01 -43.64 92.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.583 -0.447 . . . . 77.99 110.331 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' GLY . . . . . . . . . . . . . . . -65.11 -35.75 92.13 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.313 -0.946 . . . . 68.22 113.266 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.21 -64.05 1.05 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.54 0.67 . . . . 79.97 110.664 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.03 -35.53 6.88 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.004 -0.435 . . . . 94.39 111.313 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -84.76 -9.8 57.84 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.294 0.849 . . . . 124.05 113.294 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' ASN . . . . . 0.652 ' OD1' ' OG ' ' A' ' 92' ' ' SER . 37.9 m-20 -81.78 -31.49 31.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.754 0.706 . . . . 117.37 111.889 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' ALA . . . . . . . . . . . . . . . -72.75 -39.35 66.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.51 -0.476 . . . . 140.82 111.346 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 132.13 110.97 -178.43 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_