data_6iy4_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 6iy4 _Structure_validation_residue.Date_analyzed 2019-12-13 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' I' I ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 116.969 -1.491 . . . . 33.59 108.385 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 7' ' ' SER . . . . . . . . . . . . . 96.6 p -66.72 160.74 66.4 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.393 1.477 . . . . 30.55 108.808 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.7 -41.2 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 O-C-N 118.233 -1.509 . . . . 28.15 113.83 168.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.9 69.42 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 121.439 -0.788 . . . . 26.98 109.75 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 10' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -83.7 -10.49 58.13 Favored 'General case' 0 C--O 1.291 3.249 0 CA-C-N 118.289 0.495 . . . . 26.66 112.056 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 97.2 t -111.1 -17.37 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 117.648 -1.168 . . . . 25.41 108.596 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 151.76 41.44 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.843 1.202 . . . . 22.63 109.835 -173.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -161.51 24.12 Favored Glycine 0 C--O 1.254 1.353 0 CA-C-N 115.437 -0.801 . . . . 20.26 111.822 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 14' ' ' SER . . . . . . . . . . . . . 24.7 t -76.52 125.5 29.33 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 124.994 1.055 . . . . 23.72 111.629 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -131.27 145.38 51.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.211 -0.663 . . . . 20.75 109.211 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 16' ' ' THR . . . . . . . . . . . . . 86.1 m -112.23 124.27 52.09 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.341 1.026 . . . . 26.32 108.434 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -106.48 141.25 38.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 125.458 1.724 . . . . 24.7 108.779 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 18' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -161.01 158.59 28.17 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.296 1.622 . . . . 34.19 109.691 170.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 19' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.39 130.27 39.01 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 N-CA-C 106.329 -1.73 . . . . 27.67 106.329 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 131.63 44.52 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 117.028 -1.463 . . . . 41.72 108.467 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.33 69.58 Favored Glycine 0 N--CA 1.471 0.978 0 O-C-N 127.374 2.921 . . . . 33.31 110.876 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.2 44.88 2.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 117.628 -1.177 . . . . 28.5 109.436 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -59.01 -30.2 67.81 Favored 'General case' 0 C--O 1.261 1.677 0 C-N-CA 125.641 1.576 . . . . 45.9 110.472 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -64.7 -21.19 66.69 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 116.967 -1.492 . . . . 43.26 111.62 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 25' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -104.11 75.08 1.24 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.706 1.602 . . . . 33.1 106.743 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.62 147.44 38.07 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 108.43 -0.952 . . . . 28.44 108.43 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 27' ' ' CYS . . . . . . . . . . . . . 39.1 t -129.92 126.16 37.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 117.398 -1.287 . . . . 37.53 107.807 -175.489 175.168 -168.477 -89.434 98.879 2.063 98.74 -152.818 60.604 1 1 . 1 . 001 ecloud orig full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 56.7 m -94.09 129.91 40.46 Favored 'General case' 0 C--O 1.281 2.724 0 N-CA-C 107.201 -1.407 . . . . 29.75 107.201 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.92 137.27 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 106.289 -1.745 . . . . 24.55 106.289 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 30' ' ' THR . . . . . . . . . . . . . 46.2 m -86.57 126.91 34.81 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 124.432 1.082 . . . . 28.43 110.506 168.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.63 104.37 16.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.464 -2.05 . . . . 22.44 105.464 166.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -72.33 148.51 45.27 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.681 1.863 . . . . 50.26 109.439 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -57.52 -23.41 50.06 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 117.05 -1.452 . . . . 56.1 112.836 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -90.42 14.35 13.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 124.888 1.367 . . . . 32.19 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 mtm105 70.06 29.7 3.77 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.805 1.642 . . . . 38.07 110.958 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 65.4 p -111.08 -177.34 3.18 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 125.254 1.422 . . . . 24.62 108.965 165.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 37' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -123.79 154.49 39.48 Favored 'General case' 0 C--O 1.201 -1.451 0 O-C-N 124.265 0.978 . . . . 24.07 111.284 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 38' ' ' SER . . . . . . . . . . . . . 84.2 p -64.24 161.63 16.19 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 124.234 0.959 . . . . 25.53 109.132 164.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.1 60.26 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-O 117.903 -1.046 . . . . 31.85 111.856 -174.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.3 -18.53 27.75 Favored 'General case' 0 C--O 1.259 1.599 0 C-N-CA 126.301 1.841 . . . . 37.4 109.276 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 41' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.42 -19.51 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 119.425 1.011 . . . . 29.06 110.769 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 28.9 p -43.49 -33.38 1.09 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.421 1.088 . . . . 40.23 110.855 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.77 -26.79 68.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.269 0.628 . . . . 35.95 111.514 -175.585 60.604 -152.818 -89.434 98.74 2.063 98.879 -168.477 175.168 1 1 . 1 . 001 ecloud orig full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.15 -14.35 61.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 116.899 -1.524 . . . . 32.68 110.62 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.6 -33.2 65.99 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 124.118 0.967 . . . . 47.15 110.037 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -20.35 65.64 Favored 'General case' 0 C--O 1.263 1.778 0 CA-C-O 118.701 -0.666 . . . . 36.54 109.536 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 47' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -118.11 -30.22 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.51 0.596 . . . . 32.72 111.602 -164.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.41 146.14 41.89 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-O 117.972 -1.014 . . . . 30.08 108.406 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.61 90.36 Favored Glycine 0 N--CA 1.48 1.59 0 O-C-N 126.408 2.318 . . . . 29.48 112.362 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 50' ' ' ARG . . . . . 0.479 ' CZ ' ' OG ' ' I' ' 70' ' ' SER . 49.3 ttm-85 -118.43 117.45 29.07 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 116.55 -1.691 . . . . 40.21 106.954 -175.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -71.91 126.49 91.35 Favored Pre-proline 0 C--O 1.213 -0.848 0 CA-C-N 119.403 1.001 . . . . 37.39 109.328 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -74.81 140.38 25.94 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 121.278 1.319 . . . . 28.08 114.196 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -114.97 -24.99 8.35 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 117.48 -1.248 . . . . 31.32 109.899 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 58.0 p -139.46 171.17 14.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.882 1.219 . . . . 27.15 109.661 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 55' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -141.59 160.26 40.53 Favored 'General case' 0 C--O 1.212 -0.906 0 O-C-N 124.601 1.188 . . . . 22.26 109.504 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 16.1 t -152.05 127.59 4.94 Favored Pre-proline 0 CA--C 1.508 -0.672 0 CA-C-N 115.641 -0.708 . . . . 31.68 109.483 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -74.57 154.99 45.09 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 N-CA-C 109.434 -1.025 . . . . 25.29 109.434 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -127.52 171.56 8.11 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 105.522 -2.029 . . . . 26.64 105.522 174.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 59' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -58.91 -28.43 87.44 Favored 'Trans proline' 0 C--O 1.209 -0.929 0 N-CA-C 113.661 0.6 . . . . 29.85 113.661 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 60' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -128.27 14.99 6.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 117.167 -1.397 . . . . 29.47 111.151 -170.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.21 -158.61 27.32 Favored Glycine 0 C--O 1.26 1.778 0 C-N-CA 117.004 -2.522 . . . . 20.24 111.463 -171.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -146.58 139.17 25.15 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 124.488 0.757 . . . . 24.19 109.376 -170.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 63' ' ' LEU . . . . . . . . . . . . . 44.4 mt -106.53 126.85 52.79 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.579 -1.2 . . . . 23.44 108.809 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 64' ' ' LEU . . . . . . . . . . . . . 39.3 mt -96.39 130.83 43.44 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 126.454 2.346 . . . . 24.25 105.612 164.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 65' ' ' ILE . . . . . . . . . . . . . 82.5 mt -124.36 138.13 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.714 1.259 . . . . 23.66 108.239 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 179.92 50.1 Favored Glycine 0 N--CA 1.468 0.793 0 O-C-N 125.165 1.541 . . . . 24.33 111.329 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -65.56 -24.76 67.17 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 118.267 -0.873 . . . . 48.86 110.726 -169.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -94.9 1.28 55.28 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.729 0.643 . . . . 31.62 109.452 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.44 4.11 64.39 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-O 116.394 -2.337 . . . . 24.46 110.133 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 70' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' I' ' 50' ' ' ARG . 18.7 p -91.49 159.4 15.96 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.626 1.213 . . . . 40.48 110.808 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -68.34 124.89 24.76 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.789 -0.819 . . . . 23.78 108.789 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -86.7 -40.39 15.11 Favored 'General case' 0 C--O 1.264 1.852 0 CA-C-N 115.987 -0.551 . . . . 32.56 109.758 165.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 21.6 tp -168.98 146.4 3.7 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.004 -1.11 . . . . 26.59 108.004 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -106.29 129.52 54.3 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.87 -1.53 . . . . 22.25 106.87 164.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mp -117.49 137.9 52.24 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.962 0.789 . . . . 21.27 109.159 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.21 141.16 33.24 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 124.918 1.387 . . . . 56.9 109.308 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -71.6 125.67 27.7 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 107.094 -1.447 . . . . 27.59 107.094 170.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -102.77 -39.24 7.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.884 1.365 . . . . 64.52 110.097 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 79' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -175.62 169.73 3.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.283 -2.488 . . . . 58.47 104.283 -171.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.09 123.77 10.07 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 124.072 0.858 . . . . 24.75 109.77 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.08 25.36 74.84 Favored Glycine 0 C--O 1.217 -0.951 0 CA-C-O 117.558 -1.69 . . . . 21.66 112.729 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 82' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -144.96 128.28 16.82 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.949 1.874 . . . . 39.81 111.022 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -122.23 151.33 41.17 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.067 1.479 . . . . 20.75 109.171 170.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -135.62 131.75 36.21 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 117.849 -1.072 . . . . 36.18 110.184 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.44 140.1 11.52 Favored Glycine 0 C--O 1.247 0.959 0 O-C-N 124.445 1.091 . . . . 22.96 110.702 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -81.14 115.13 20.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 107.242 -1.392 . . . . 46.62 107.242 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 87' ' ' VAL . . . . . . . . . . . . . 81.0 t -99.26 151.93 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 125.288 1.617 . . . . 37.19 109.438 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 88' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -47.6 145.38 2.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.173 1.546 . . . . 58.84 109.556 167.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.45 21.33 67.17 Favored Glycine 0 N--CA 1.473 1.144 0 CA-C-O 117.229 -1.873 . . . . 51.79 111.244 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.8 43.71 24.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.628 1.971 . . . . 60.9 111.575 177.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -101.56 160.31 14.56 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 107.346 -1.353 . . . . 67.91 107.346 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 92' ' ' THR . . . . . . . . . . . . . 70.3 m -118.41 124.26 47.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.518 1.137 . . . . 31.37 108.053 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 93' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 125.45 39.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.082 -1.821 . . . . 27.54 106.082 172.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.35 137.44 34.97 Favored 'Isoleucine or valine' 0 C--O 1.251 1.138 0 O-C-N 125.439 1.712 . . . . 25.34 107.357 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 95' ' ' MET . . . . . . . . . . . . . 21.2 ptm -129.65 128.73 43.2 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.03 -1.841 . . . . 25.92 106.03 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -139.7 141.22 36.96 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.905 -1.517 . . . . 46.25 106.905 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.92 144.68 56.1 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.108 1.505 . . . . 31.0 109.074 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 122.054 0.93 . . . . 58.28 110.378 -175.563 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 116.969 -1.491 . . . . 33.59 108.385 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 7' ' ' SER . . . . . . . . . . . . . 96.6 p -66.72 160.74 66.4 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.393 1.477 . . . . 30.55 108.808 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.7 -41.2 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 O-C-N 118.233 -1.509 . . . . 28.15 113.83 168.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.9 69.42 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 121.439 -0.788 . . . . 26.98 109.75 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 10' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -83.7 -10.49 58.13 Favored 'General case' 0 C--O 1.291 3.249 0 CA-C-N 118.289 0.495 . . . . 26.66 112.056 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 97.2 t -111.1 -17.37 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 117.648 -1.168 . . . . 25.41 108.596 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 151.76 41.44 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.843 1.202 . . . . 22.63 109.835 -173.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -161.51 24.12 Favored Glycine 0 C--O 1.254 1.353 0 CA-C-N 115.437 -0.801 . . . . 20.26 111.822 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 14' ' ' SER . . . . . . . . . . . . . 24.7 t -76.52 125.5 29.33 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 124.994 1.055 . . . . 23.72 111.629 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -131.27 145.38 51.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.211 -0.663 . . . . 20.75 109.211 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 16' ' ' THR . . . . . . . . . . . . . 86.1 m -112.23 124.27 52.09 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.341 1.026 . . . . 26.32 108.434 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -106.48 141.25 38.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 125.458 1.724 . . . . 24.7 108.779 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 18' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' I' ' 23' ' ' GLU . 55.9 p90 -161.01 158.59 28.17 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.296 1.622 . . . . 34.19 109.691 170.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 19' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.39 130.27 39.01 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 N-CA-C 106.329 -1.73 . . . . 27.67 106.329 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 131.63 44.52 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 117.028 -1.463 . . . . 41.72 108.467 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.33 69.58 Favored Glycine 0 N--CA 1.471 0.978 0 O-C-N 127.374 2.921 . . . . 33.31 110.876 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.2 44.88 2.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 117.628 -1.177 . . . . 28.5 109.436 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 23' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' I' ' 18' ' ' TYR . 31.0 mp0 -59.01 -30.2 67.81 Favored 'General case' 0 C--O 1.261 1.677 0 C-N-CA 125.641 1.576 . . . . 45.9 110.472 -177.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -64.7 -21.19 66.69 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 116.967 -1.492 . . . . 43.26 111.62 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 25' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -104.11 75.08 1.24 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.706 1.602 . . . . 33.1 106.743 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.62 147.44 38.07 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 108.43 -0.952 . . . . 28.44 108.43 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 27' ' ' CYS . . . . . . . . . . . . . 39.1 t -129.92 126.16 37.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 117.398 -1.287 . . . . 37.53 107.807 -175.489 175.168 -168.477 -89.434 98.879 2.063 98.74 -152.818 60.604 1 1 . 1 . 001 ecloud build full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 56.7 m -94.09 129.91 40.46 Favored 'General case' 0 C--O 1.281 2.724 0 N-CA-C 107.201 -1.407 . . . . 29.75 107.201 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.92 137.27 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 106.289 -1.745 . . . . 24.55 106.289 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 30' ' ' THR . . . . . . . . . . . . . 46.2 m -86.57 126.91 34.81 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 124.432 1.082 . . . . 28.43 110.506 168.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.63 104.37 16.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.464 -2.05 . . . . 22.44 105.464 166.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -72.33 148.51 45.27 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.681 1.863 . . . . 50.26 109.439 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -57.52 -23.41 50.06 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 117.05 -1.452 . . . . 56.1 112.836 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -90.42 14.35 13.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 124.888 1.367 . . . . 32.19 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 mtm105 70.06 29.7 3.77 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.805 1.642 . . . . 38.07 110.958 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 65.4 p -111.08 -177.34 3.18 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 125.254 1.422 . . . . 24.62 108.965 165.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 37' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -123.79 154.49 39.48 Favored 'General case' 0 C--O 1.201 -1.451 0 O-C-N 124.265 0.978 . . . . 24.07 111.284 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 38' ' ' SER . . . . . . . . . . . . . 84.2 p -64.24 161.63 16.19 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 124.234 0.959 . . . . 25.53 109.132 164.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.1 60.26 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-O 117.903 -1.046 . . . . 31.85 111.856 -174.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.3 -18.53 27.75 Favored 'General case' 0 C--O 1.259 1.599 0 C-N-CA 126.301 1.841 . . . . 37.4 109.276 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 41' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.42 -19.51 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 119.425 1.011 . . . . 29.06 110.769 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 28.9 p -43.49 -33.38 1.09 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.421 1.088 . . . . 40.23 110.855 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.77 -26.79 68.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.269 0.628 . . . . 35.95 111.514 -175.585 60.604 -152.818 -89.434 98.74 2.063 98.879 -168.477 175.168 1 1 . 1 . 001 ecloud build full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.15 -14.35 61.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 116.899 -1.524 . . . . 32.68 110.62 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.6 -33.2 65.99 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 124.118 0.967 . . . . 47.15 110.037 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -20.35 65.64 Favored 'General case' 0 C--O 1.263 1.778 0 CA-C-O 118.701 -0.666 . . . . 36.54 109.536 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 47' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -118.11 -30.22 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.51 0.596 . . . . 32.72 111.602 -164.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.41 146.14 41.89 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-O 117.972 -1.014 . . . . 30.08 108.406 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.61 90.36 Favored Glycine 0 N--CA 1.48 1.59 0 O-C-N 126.408 2.318 . . . . 29.48 112.362 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 50' ' ' ARG . . . . . 0.479 ' CZ ' ' OG ' ' I' ' 70' ' ' SER . 49.3 ttm-85 -118.43 117.45 29.07 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 116.55 -1.691 . . . . 40.21 106.954 -175.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -71.91 126.49 91.35 Favored Pre-proline 0 C--O 1.213 -0.848 0 CA-C-N 119.403 1.001 . . . . 37.39 109.328 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -74.81 140.38 25.94 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 121.278 1.319 . . . . 28.08 114.196 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -114.97 -24.99 8.35 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 117.48 -1.248 . . . . 31.32 109.899 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 58.0 p -139.46 171.17 14.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.882 1.219 . . . . 27.15 109.661 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 55' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -141.59 160.26 40.53 Favored 'General case' 0 C--O 1.212 -0.906 0 O-C-N 124.601 1.188 . . . . 22.26 109.504 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 16.1 t -152.05 127.59 4.94 Favored Pre-proline 0 CA--C 1.508 -0.672 0 CA-C-N 115.641 -0.708 . . . . 31.68 109.483 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -74.57 154.99 45.09 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 N-CA-C 109.434 -1.025 . . . . 25.29 109.434 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -127.52 171.56 8.11 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 105.522 -2.029 . . . . 26.64 105.522 174.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 59' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -58.91 -28.43 87.44 Favored 'Trans proline' 0 C--O 1.209 -0.929 0 N-CA-C 113.661 0.6 . . . . 29.85 113.661 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 60' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -128.27 14.99 6.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 117.167 -1.397 . . . . 29.47 111.151 -170.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.21 -158.61 27.32 Favored Glycine 0 C--O 1.26 1.778 0 C-N-CA 117.004 -2.522 . . . . 20.24 111.463 -171.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -146.58 139.17 25.15 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 124.488 0.757 . . . . 24.19 109.376 -170.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 63' ' ' LEU . . . . . . . . . . . . . 44.4 mt -106.53 126.85 52.79 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.579 -1.2 . . . . 23.44 108.809 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 64' ' ' LEU . . . . . . . . . . . . . 39.3 mt -96.39 130.83 43.44 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 126.454 2.346 . . . . 24.25 105.612 164.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 65' ' ' ILE . . . . . . . . . . . . . 82.5 mt -124.36 138.13 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.714 1.259 . . . . 23.66 108.239 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 179.92 50.1 Favored Glycine 0 N--CA 1.468 0.793 0 O-C-N 125.165 1.541 . . . . 24.33 111.329 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -65.56 -24.76 67.17 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 118.267 -0.873 . . . . 48.86 110.726 -169.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -94.9 1.28 55.28 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.729 0.643 . . . . 31.62 109.452 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.44 4.11 64.39 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-O 116.394 -2.337 . . . . 24.46 110.133 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 70' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' I' ' 50' ' ' ARG . 18.7 p -91.49 159.4 15.96 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.626 1.213 . . . . 40.48 110.808 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 71' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -68.34 124.89 24.76 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.789 -0.819 . . . . 23.78 108.789 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -86.7 -40.39 15.11 Favored 'General case' 0 C--O 1.264 1.852 0 CA-C-N 115.987 -0.551 . . . . 32.56 109.758 165.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 21.6 tp -168.98 146.4 3.7 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.004 -1.11 . . . . 26.59 108.004 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -106.29 129.52 54.3 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.87 -1.53 . . . . 22.25 106.87 164.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mp -117.49 137.9 52.24 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.962 0.789 . . . . 21.27 109.159 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.21 141.16 33.24 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 124.918 1.387 . . . . 56.9 109.308 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -71.6 125.67 27.7 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 107.094 -1.447 . . . . 27.59 107.094 170.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -102.77 -39.24 7.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.884 1.365 . . . . 64.52 110.097 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 79' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -175.62 169.73 3.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.283 -2.488 . . . . 58.47 104.283 -171.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.09 123.77 10.07 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 124.072 0.858 . . . . 24.75 109.77 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.08 25.36 74.84 Favored Glycine 0 C--O 1.217 -0.951 0 CA-C-O 117.558 -1.69 . . . . 21.66 112.729 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 82' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -144.96 128.28 16.82 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.949 1.874 . . . . 39.81 111.022 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 83' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' I' ' 95' ' ' MET . 97.5 m-85 -122.23 151.33 41.17 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.067 1.479 . . . . 20.75 109.171 170.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -135.62 131.75 36.21 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 117.849 -1.072 . . . . 36.18 110.184 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.44 140.1 11.52 Favored Glycine 0 C--O 1.247 0.959 0 O-C-N 124.445 1.091 . . . . 22.96 110.702 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -81.14 115.13 20.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 107.242 -1.392 . . . . 46.62 107.242 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 87' ' ' VAL . . . . . . . . . . . . . 81.0 t -99.26 151.93 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 125.288 1.617 . . . . 37.19 109.438 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 88' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -47.6 145.38 2.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.173 1.546 . . . . 58.84 109.556 167.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.45 21.33 67.17 Favored Glycine 0 N--CA 1.473 1.144 0 CA-C-O 117.229 -1.873 . . . . 51.79 111.244 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.8 43.71 24.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.628 1.971 . . . . 60.9 111.575 177.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -101.56 160.31 14.56 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 107.346 -1.353 . . . . 67.91 107.346 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 92' ' ' THR . . . . . . . . . . . . . 70.3 m -118.41 124.26 47.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.518 1.137 . . . . 31.37 108.053 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 93' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 125.45 39.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.082 -1.821 . . . . 27.54 106.082 172.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.35 137.44 34.97 Favored 'Isoleucine or valine' 0 C--O 1.251 1.138 0 O-C-N 125.439 1.712 . . . . 25.34 107.357 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 95' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' I' ' 83' ' ' TYR . 21.2 ptm -129.65 128.73 43.2 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.03 -1.841 . . . . 25.92 106.03 170.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -139.7 141.22 36.96 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.905 -1.517 . . . . 46.25 106.905 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.92 144.68 56.1 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.108 1.505 . . . . 31.0 109.074 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 122.054 0.93 . . . . 58.28 110.378 -175.563 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 116.969 -1.491 . . . . 33.59 108.385 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 7' ' ' SER . . . . . . . . . . . . . 96.6 p -66.72 160.74 66.4 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.393 1.477 . . . . 30.55 108.808 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.7 -41.2 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 O-C-N 118.233 -1.509 . . . . 28.15 113.83 168.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.9 69.42 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 121.439 -0.788 . . . . 26.98 109.75 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 10' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -83.7 -10.49 58.13 Favored 'General case' 0 C--O 1.291 3.249 0 CA-C-N 118.289 0.495 . . . . 26.66 112.056 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 97.2 t -111.1 -17.37 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 117.648 -1.168 . . . . 25.41 108.596 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 151.76 41.44 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.843 1.202 . . . . 22.63 109.835 -173.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -161.51 24.12 Favored Glycine 0 C--O 1.254 1.353 0 CA-C-N 115.437 -0.801 . . . . 20.26 111.822 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 14' ' ' SER . . . . . . . . . . . . . 24.7 t -76.52 125.5 29.33 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 124.994 1.055 . . . . 23.72 111.629 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -131.27 145.38 51.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.211 -0.663 . . . . 20.75 109.211 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 16' ' ' THR . . . . . . . . . . . . . 86.1 m -112.23 124.27 52.09 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.341 1.026 . . . . 26.32 108.434 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -106.48 141.25 38.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 125.458 1.724 . . . . 24.7 108.779 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 18' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' I' ' 23' ' ' GLU . 55.9 p90 -161.01 158.59 28.17 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.296 1.622 . . . . 34.19 109.691 170.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 19' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.39 130.27 39.01 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 N-CA-C 106.329 -1.73 . . . . 27.67 106.329 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 131.63 44.52 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 117.028 -1.463 . . . . 41.72 108.467 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.33 69.58 Favored Glycine 0 N--CA 1.471 0.978 0 O-C-N 127.374 2.921 . . . . 33.31 110.876 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.2 44.88 2.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 117.628 -1.177 . . . . 28.5 109.436 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 23' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' I' ' 18' ' ' TYR . 31.0 mp0 -59.01 -30.2 67.81 Favored 'General case' 0 C--O 1.261 1.677 0 C-N-CA 125.641 1.576 . . . . 45.9 110.472 -177.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -64.7 -21.19 66.69 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 116.967 -1.492 . . . . 43.26 111.62 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 25' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -104.11 75.08 1.24 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.706 1.602 . . . . 33.1 106.743 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.62 147.44 38.07 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 108.43 -0.952 . . . . 28.44 108.43 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 27' ' ' CYS . . . . . . . . . . . . . 39.1 t -129.92 126.16 37.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 117.398 -1.287 . . . . 37.53 107.807 -175.489 175.168 -168.477 -89.434 98.879 2.063 98.74 -152.818 60.604 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 56.7 m -94.09 129.91 40.46 Favored 'General case' 0 C--O 1.281 2.724 0 N-CA-C 107.201 -1.407 . . . . 29.75 107.201 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.92 137.27 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 106.289 -1.745 . . . . 24.55 106.289 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 30' ' ' THR . . . . . . . . . . . . . 46.2 m -86.57 126.91 34.81 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 124.432 1.082 . . . . 28.43 110.506 168.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.63 104.37 16.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.464 -2.05 . . . . 22.44 105.464 166.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -72.33 148.51 45.27 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.681 1.863 . . . . 50.26 109.439 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -57.52 -23.41 50.06 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 117.05 -1.452 . . . . 56.1 112.836 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -90.42 14.35 13.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 124.888 1.367 . . . . 32.19 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 mtm105 70.06 29.7 3.77 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.805 1.642 . . . . 38.07 110.958 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 65.4 p -111.08 -177.34 3.18 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 125.254 1.422 . . . . 24.62 108.965 165.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 37' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -123.79 154.49 39.48 Favored 'General case' 0 C--O 1.201 -1.451 0 O-C-N 124.265 0.978 . . . . 24.07 111.284 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 38' ' ' SER . . . . . . . . . . . . . 84.2 p -64.24 161.63 16.19 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 124.234 0.959 . . . . 25.53 109.132 164.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.1 60.26 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-O 117.903 -1.046 . . . . 31.85 111.856 -174.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.3 -18.53 27.75 Favored 'General case' 0 C--O 1.259 1.599 0 C-N-CA 126.301 1.841 . . . . 37.4 109.276 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 41' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.42 -19.51 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 119.425 1.011 . . . . 29.06 110.769 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 28.9 p -43.49 -33.38 1.09 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.421 1.088 . . . . 40.23 110.855 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.77 -26.79 68.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.269 0.628 . . . . 35.95 111.514 -175.585 60.604 -152.818 -89.434 98.74 2.063 98.879 -168.477 175.168 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 mt -72.15 -14.35 61.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 116.899 -1.524 . . . . 32.68 110.62 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.6 -33.2 65.99 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 124.118 0.967 . . . . 47.15 110.037 174.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -20.35 65.64 Favored 'General case' 0 C--O 1.263 1.778 0 CA-C-O 118.701 -0.666 . . . . 36.54 109.536 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 47' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -118.11 -30.22 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.51 0.596 . . . . 32.72 111.602 -164.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.41 146.14 41.89 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-O 117.972 -1.014 . . . . 30.08 108.406 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.61 90.36 Favored Glycine 0 N--CA 1.48 1.59 0 O-C-N 126.408 2.318 . . . . 29.48 112.362 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 50' ' ' ARG . . . . . 0.479 ' CZ ' ' OG ' ' I' ' 70' ' ' SER . 49.3 ttm-85 -118.43 117.45 29.07 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 116.55 -1.691 . . . . 40.21 106.954 -175.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -71.91 126.49 91.35 Favored Pre-proline 0 C--O 1.213 -0.848 0 CA-C-N 119.403 1.001 . . . . 37.39 109.328 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -74.81 140.38 25.94 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 121.278 1.319 . . . . 28.08 114.196 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -114.97 -24.99 8.35 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 117.48 -1.248 . . . . 31.32 109.899 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 58.0 p -139.46 171.17 14.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.882 1.219 . . . . 27.15 109.661 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 55' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -141.59 160.26 40.53 Favored 'General case' 0 C--O 1.212 -0.906 0 O-C-N 124.601 1.188 . . . . 22.26 109.504 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 16.1 t -152.05 127.59 4.94 Favored Pre-proline 0 CA--C 1.508 -0.672 0 CA-C-N 115.641 -0.708 . . . . 31.68 109.483 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -74.57 154.99 45.09 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 N-CA-C 109.434 -1.025 . . . . 25.29 109.434 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -127.52 171.56 8.11 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 105.522 -2.029 . . . . 26.64 105.522 174.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 59' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -58.91 -28.43 87.44 Favored 'Trans proline' 0 C--O 1.209 -0.929 0 N-CA-C 113.661 0.6 . . . . 29.85 113.661 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 60' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -128.27 14.99 6.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 117.167 -1.397 . . . . 29.47 111.151 -170.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.21 -158.61 27.32 Favored Glycine 0 C--O 1.26 1.778 0 C-N-CA 117.004 -2.522 . . . . 20.24 111.463 -171.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -146.58 139.17 25.15 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 124.488 0.757 . . . . 24.19 109.376 -170.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 63' ' ' LEU . . . . . . . . . . . . . 44.4 mt -106.53 126.85 52.79 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.579 -1.2 . . . . 23.44 108.809 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 64' ' ' LEU . . . . . . . . . . . . . 39.3 mt -96.39 130.83 43.44 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 126.454 2.346 . . . . 24.25 105.612 164.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 65' ' ' ILE . . . . . . . . . . . . . 82.5 mt -124.36 138.13 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.714 1.259 . . . . 23.66 108.239 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.8 179.92 50.1 Favored Glycine 0 N--CA 1.468 0.793 0 O-C-N 125.165 1.541 . . . . 24.33 111.329 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -65.56 -24.76 67.17 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 118.267 -0.873 . . . . 48.86 110.726 -169.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -94.9 1.28 55.28 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.729 0.643 . . . . 31.62 109.452 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.44 4.11 64.39 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-O 116.394 -2.337 . . . . 24.46 110.133 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 70' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' I' ' 50' ' ' ARG . 18.7 p -91.49 159.4 15.96 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.626 1.213 . . . . 40.48 110.808 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -68.34 124.89 24.76 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.789 -0.819 . . . . 23.78 108.789 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -86.7 -40.39 15.11 Favored 'General case' 0 C--O 1.264 1.852 0 CA-C-N 115.987 -0.551 . . . . 32.56 109.758 165.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 21.6 tp -168.98 146.4 3.7 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.004 -1.11 . . . . 26.59 108.004 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -106.29 129.52 54.3 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.87 -1.53 . . . . 22.25 106.87 164.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mp -117.49 137.9 52.24 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.962 0.789 . . . . 21.27 109.159 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.21 141.16 33.24 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 124.918 1.387 . . . . 56.9 109.308 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -71.6 125.67 27.7 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 107.094 -1.447 . . . . 27.59 107.094 170.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -102.77 -39.24 7.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.884 1.365 . . . . 64.52 110.097 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 79' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -175.62 169.73 3.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.283 -2.488 . . . . 58.47 104.283 -171.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.09 123.77 10.07 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 124.072 0.858 . . . . 24.75 109.77 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.08 25.36 74.84 Favored Glycine 0 C--O 1.217 -0.951 0 CA-C-O 117.558 -1.69 . . . . 21.66 112.729 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 82' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -144.96 128.28 16.82 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.949 1.874 . . . . 39.81 111.022 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 83' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' I' ' 95' ' ' MET . 97.5 m-85 -122.23 151.33 41.17 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.067 1.479 . . . . 20.75 109.171 170.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -135.62 131.75 36.21 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 117.849 -1.072 . . . . 36.18 110.184 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.44 140.1 11.52 Favored Glycine 0 C--O 1.247 0.959 0 O-C-N 124.445 1.091 . . . . 22.96 110.702 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -81.14 115.13 20.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 107.242 -1.392 . . . . 46.62 107.242 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 87' ' ' VAL . . . . . . . . . . . . . 81.0 t -99.26 151.93 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 125.288 1.617 . . . . 37.19 109.438 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 88' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -47.6 145.38 2.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.173 1.546 . . . . 58.84 109.556 167.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.45 21.33 67.17 Favored Glycine 0 N--CA 1.473 1.144 0 CA-C-O 117.229 -1.873 . . . . 51.79 111.244 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.8 43.71 24.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.628 1.971 . . . . 60.9 111.575 177.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -101.56 160.31 14.56 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 107.346 -1.353 . . . . 67.91 107.346 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 92' ' ' THR . . . . . . . . . . . . . 70.3 m -118.41 124.26 47.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.518 1.137 . . . . 31.37 108.053 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 93' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 125.45 39.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.082 -1.821 . . . . 27.54 106.082 172.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.35 137.44 34.97 Favored 'Isoleucine or valine' 0 C--O 1.251 1.138 0 O-C-N 125.439 1.712 . . . . 25.34 107.357 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 95' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' I' ' 83' ' ' TYR . 21.2 ptm -129.65 128.73 43.2 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.03 -1.841 . . . . 25.92 106.03 170.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -139.7 141.22 36.96 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.905 -1.517 . . . . 46.25 106.905 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.92 144.68 56.1 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.108 1.505 . . . . 31.0 109.074 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 122.054 0.93 . . . . 58.28 110.378 -175.563 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_