data_1cxc_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cxc _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLN . . . . . 0.825 ' CA ' ' OE1' ' A' ' 1' ' ' GLN . 0.3 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 120.794 3.628 . . . . 27.78 120.794 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.61 0.49 52.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 117.306 -3.372 . . . . 46.84 111.919 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.2 54.54 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.942 0.745 . . . . 16.06 111.469 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.9 108.74 57.57 Favored Pre-proline 0 CA--C 1.514 -0.408 0 O-C-N 121.653 -0.91 . . . . 21.99 110.267 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.95 -40.4 84.41 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.405 2.07 . . . . 15.68 114.767 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -65.17 -43.8 90.54 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.93 -1.731 . . . . 38.13 110.052 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.62 81.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 106.821 -1.548 . . . . 18.09 106.821 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.46 91.08 Favored Glycine 0 CA--C 1.521 0.446 0 O-C-N 119.757 -1.84 . . . . 14.04 111.739 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.98 60.16 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.005 -1.88 . . . . 14.27 110.71 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -66.24 -44.73 82.91 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.537 1.161 . . . . 28.27 111.133 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -19.66 66.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.037 -1.664 . . . . 15.61 113.176 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -73.37 -12.73 60.92 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 122.484 1.135 . . . . 16.56 112.782 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -59.67 -35.81 75.18 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 119.236 -2.165 . . . . 30.55 109.344 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.11 -35.79 71.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 121.148 -0.97 . . . . 37.56 112.522 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -73.82 -17.89 61.02 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.077 -1.014 . . . . 15.13 113.692 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -69.9 -8.75 51.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.823 1.416 . . . . 29.61 114.823 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -65.4 -21.66 66.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 122.155 0.978 . . . . 22.2 108.842 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.3 m -136.08 -22.02 1.39 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 114.663 1.357 . . . . 13.19 114.663 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.52 168.23 10.05 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.421 0.896 . . . . 13.9 113.421 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.254 0.6 OUTLIER -147.72 149.4 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.395 -2.691 . . . . 17.73 107.774 178.897 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -118.64 95.04 3.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 118.138 -2.851 . . . . 13.55 106.788 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -113.24 131.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 120.653 -1.279 . . . . 16.21 108.025 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 p30 -84.59 179.67 7.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 119.332 -2.105 . . . . 23.41 115.383 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.55 0.11 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 116.144 1.905 . . . . 26.44 116.144 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -109.52 3.46 21.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 120.462 -1.399 . . . . 35.43 109.957 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.61 65.13 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.847 -0.615 . . . . 27.87 113.112 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 m -86.71 134.13 33.62 Favored 'General case' 0 N--CA 1.438 -1.027 0 O-C-N 119.79 -2.006 . . . . 26.44 111.658 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 m -84.42 111.58 19.58 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.269 -0.895 . . . . 20.63 110.267 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -20.77 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 O-C-N 119.299 -2.126 . . . . 24.07 110.53 177.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.42 133.04 1.65 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 117.832 -3.043 . . . . 19.63 109.586 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.06 175.03 15.76 Favored Glycine 0 N--CA 1.443 -0.879 0 O-C-N 118.024 -2.922 . . . . 29.4 111.863 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -138.76 34.81 2.19 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 113.946 -1.127 . . . . 55.82 110.785 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . . . 63.94 21.3 12.57 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 115.711 1.745 . . . . 33.64 115.711 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.36 140.42 41.4 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 119.997 -1.689 . . . . 25.06 110.16 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -123.08 18.29 10.01 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 120.033 -1.667 . . . . 30.88 113.434 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -62.76 -48.51 78.88 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.355 -1.466 . . . . 17.31 111.396 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.98 172.46 18.99 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.411 -1.476 . . . . 13.85 109.411 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -72.28 163.47 38.58 Favored 'Trans proline' 0 CA--C 1.517 -0.342 0 C-N-CA 122.495 2.13 . . . . 13.89 113.756 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.56 126.39 29.53 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 106.626 -1.62 . . . . 13.89 106.626 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -6.93 59.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.389 1.255 . . . . 16.51 114.389 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.24 125.6 24.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.401 -1.437 . . . . 18.93 108.263 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.7 10.01 73.77 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.361 -0.837 . . . . 12.25 112.867 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . 0.285 0.0 OUTLIER -65.25 -39.05 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 120.513 2.157 . . . . 16.87 111.233 -179.726 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.0 t -49.93 111.96 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 O-C-N 119.101 -2.25 . . . . 15.41 113.135 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.08 84.91 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 120.435 -0.888 . . . . 15.1 113.195 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' CD ' ' O ' ' A' ' 138' ' ' HOH . 9.1 ttm180 -89.34 142.44 27.66 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 117.737 -3.214 . . . . 19.35 111.714 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -67.62 132.56 47.75 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.34 -0.985 . . . . 14.48 108.34 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 138.83 58.2 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 113.2 0.815 . . . . 16.97 113.2 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.2 33.18 54.66 Favored Glycine 0 C--N 1.344 0.991 0 O-C-N 120.738 -1.226 . . . . 15.0 113.053 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.1 p -131.31 0.23 4.09 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.792 -2.005 . . . . 16.56 115.524 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -53.9 123.44 12.49 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.825 2.102 . . . . 20.42 108.265 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.94 68.94 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 118.639 2.829 . . . . 16.56 118.639 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -102.27 9.04 40.26 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 118.338 -2.726 . . . . 28.22 113.297 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -99.19 116.68 31.94 Favored 'General case' 0 N--CA 1.433 -1.276 0 O-C-N 118.99 -2.319 . . . . 22.24 108.118 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -100.82 12.59 37.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.05 -1.46 . . . . 69.71 113.339 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.28 26.33 15.34 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 119.114 -2.241 . . . . 29.49 117.504 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.27 147.35 46.5 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 119.241 -2.329 . . . . 20.87 112.546 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.81 169.43 44.61 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 108.712 -1.755 . . . . 22.68 108.712 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.01 -23.6 60.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.021 -1.87 . . . . 68.44 112.194 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.36 -39.62 80.92 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 119.437 -2.039 . . . . 25.82 111.095 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.5 tpp -70.49 -40.32 73.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.317 -1.108 . . . . 22.84 110.272 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.72 -42.27 99.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.473 -1.392 . . . . 51.53 109.759 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.31 -52.76 64.23 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 121.747 -0.595 . . . . 48.92 111.349 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.93 69.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.427 -2.046 . . . . 21.77 111.847 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.65 93.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.145 -1.597 . . . . 22.33 109.594 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.45 -36.28 66.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.184 -1.186 . . . . 25.62 111.196 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -21.62 66.64 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.624 -0.51 . . . . 56.02 109.624 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.78 15.08 7.59 Favored Glycine 0 N--CA 1.444 -0.785 0 O-C-N 117.671 -3.143 . . . . 25.49 114.061 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.49 117.38 18.09 Favored 'General case' 0 N--CA 1.461 0.107 0 O-C-N 119.912 -1.934 . . . . 19.07 114.117 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.75 141.12 48.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 104.873 -2.269 . . . . 17.35 104.873 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -71.61 116.76 12.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 118.739 2.866 . . . . 14.6 118.739 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -122.73 -177.95 3.79 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.243 -1.762 . . . . 21.86 106.243 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.72 -40.15 88.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 120.403 -1.435 . . . . 15.55 114.19 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -67.77 -37.85 82.62 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 118.711 -2.493 . . . . 18.79 113.848 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -76.05 -34.55 59.61 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.188 -0.605 . . . . 21.79 110.263 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.81 -41.48 91.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.095 -0.706 . . . . 14.22 109.095 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.45 -18.66 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 C-N-CA 115.956 -2.297 . . . . 17.21 113.761 -177.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -81.36 -40.41 23.56 Favored 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 119.705 -1.872 . . . . 28.07 107.358 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.11 -52.79 61.22 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.175 -1.578 . . . . 13.96 114.511 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.2 -26.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.881 0.764 . . . . 16.64 112.748 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.75 -29.14 63.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 119.768 1.167 . . . . 32.31 113.348 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -164.12 92.87 1.04 Allowed Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 120.152 -1.592 . . . . 25.56 107.544 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -66.87 -30.43 40.27 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 120.97 1.113 . . . . 16.27 114.969 -170.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.1 m -81.1 -33.42 33.31 Favored 'General case' 0 N--CA 1.439 -0.977 0 O-C-N 120.359 -1.463 . . . . 19.96 111.575 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -69.66 -46.97 64.92 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.806 -1.183 . . . . 28.72 107.806 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.4 -46.49 69.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.307 -0.871 . . . . 17.31 111.069 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.27 77.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.973 0.351 . . . . 20.0 111.187 -177.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -68.87 -39.87 79.58 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.356 1.075 . . . . 27.4 111.314 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -71.1 -50.55 32.41 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 119.005 -2.309 . . . . 31.19 111.71 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.36 -59.39 4.87 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.526 -1.359 . . . . 25.07 112.086 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -23.02 62.41 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 119.263 -2.148 . . . . 28.96 113.534 -178.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.89 12.76 78.94 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 119.911 -1.743 . . . . 23.06 112.198 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.15 116.26 24.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 119.983 -1.893 . . . . 27.86 107.338 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.8 -20.62 64.33 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 119.411 -2.056 . . . . 23.35 115.173 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . -80.49 -8.22 59.48 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.192 -2.192 . . . . 28.44 112.707 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.72 141.91 30.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 119.949 -1.719 . . . . 26.5 113.648 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -140.12 139.64 35.86 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.356 0.598 . . . . 27.03 111.634 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.69 148.41 18.97 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 120.79 -1.194 . . . . 23.11 110.856 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -82.73 -17.43 44.33 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.02 -2.459 . . . . 31.07 110.799 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.1 114.21 14.5 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 120.331 -1.48 . . . . 15.92 108.79 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.6 p -100.59 19.11 17.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.907 1.447 . . . . 26.48 114.907 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -106.67 132.92 52.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 117.45 -3.282 . . . . 22.46 110.115 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -116.07 128.42 55.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.469 -1.395 . . . . 34.38 109.08 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.7 tp -83.8 119.73 25.19 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 106.346 -1.724 . . . . 21.52 106.346 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . . . -80.27 -21.79 42.33 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 115.367 1.617 . . . . 39.53 115.367 -176.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -104.81 126.89 52.34 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.222 1.193 . . . . 35.62 114.222 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.55 -46.15 91.15 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.822 -0.549 . . . . 52.76 109.877 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.63 -43.25 68.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.698 -1.251 . . . . 19.18 111.063 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.42 -35.87 81.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.272 -1.518 . . . . 21.43 110.211 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.973 -1.079 . . . . 13.18 111.322 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -68.32 -39.62 81.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.545 -0.462 . . . . 15.59 111.048 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -63.56 -42.67 98.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 O-C-N 120.207 -1.558 . . . . 18.97 111.805 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.04 -34.43 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 O-C-N 121.565 -0.71 . . . . 13.28 110.152 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -68.0 -38.94 83.23 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 119.922 -1.736 . . . . 14.36 109.429 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.71 74.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 120.323 -1.486 . . . . 9.77 111.439 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -68.83 -36.9 78.74 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 122.01 0.91 . . . . 19.93 109.4 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.56 -32.64 68.32 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.828 -2.42 . . . . 12.71 111.268 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -16.53 63.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 120.866 -1.147 . . . . 19.64 108.975 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.55 -34.05 14.2 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.459 -1.401 . . . . 50.84 111.907 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.46 -17.1 6.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 118.583 -2.573 . . . . 19.31 116.811 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.14 27.29 9.79 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 119.06 -2.275 . . . . 18.57 115.551 -173.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.63 125.85 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.306 -0.627 . . . . 28.51 109.306 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 136' ' ' HOH . 12.7 ttp180 -95.33 138.69 21.87 Favored Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 112.647 0.61 . . . . 48.05 112.647 -179.352 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.455 -0.764 0 C-N-CA 121.239 1.293 . . . . 67.04 110.119 171.635 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . 0.603 ' O ' ' NH2' ' A' ' 123' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . 0.435 ' O ' ' CD ' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLN . . . . . 0.898 ' OE1' ' HA ' ' A' ' 1' ' ' GLN . 0.3 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 120.794 3.628 . . . . 27.780000000000001 120.794 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.61 0.49 52.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 117.306 -3.372 . . . . 46.840000000000003 111.919 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.2 54.54 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.942 0.745 . . . . 16.059999999999999 111.469 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.9 108.74 57.57 Favored Pre-proline 0 CA--C 1.514 -0.408 0 O-C-N 121.653 -0.91 . . . . 21.989999999999998 110.267 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.95 -40.4 84.41 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.405 2.07 . . . . 15.68 114.767 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -65.17 -43.8 90.54 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.93 -1.731 . . . . 38.130000000000003 110.052 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.62 81.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 106.821 -1.548 . . . . 18.09 106.821 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.46 91.08 Favored Glycine 0 CA--C 1.521 0.446 0 O-C-N 119.757 -1.84 . . . . 14.039999999999999 111.739 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.98 60.16 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.005 -1.88 . . . . 14.27 110.71 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -66.24 -44.73 82.91 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.537 1.161 . . . . 28.27 111.133 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 14' ' ' GLN . . . -65.03 -19.66 66.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.037 -1.664 . . . . 15.609999999999999 113.176 -179.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -73.37 -12.73 60.92 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 122.484 1.135 . . . . 16.559999999999999 112.782 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -59.67 -35.81 75.18 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 119.236 -2.165 . . . . 30.550000000000001 109.344 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 1.1 mt-30 -58.11 -35.79 71.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 121.148 -0.97 . . . . 37.560000000000002 112.522 -179.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -73.82 -17.89 61.02 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.077 -1.014 . . . . 15.130000000000001 113.692 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -69.9 -8.75 51.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.823 1.416 . . . . 29.609999999999999 114.823 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -65.4 -21.66 66.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 122.155 0.978 . . . . 22.199999999999999 108.842 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.3 m -136.08 -22.02 1.39 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 114.663 1.357 . . . . 13.19 114.663 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.52 168.23 10.05 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.421 0.896 . . . . 13.9 113.421 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.784 HG13 HG23 ' A' ' 22' ' ' VAL 0.254 0.6 OUTLIER -147.72 149.4 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.395 -2.691 . . . . 17.73 107.774 178.897 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -118.64 95.04 3.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 118.138 -2.851 . . . . 13.550000000000001 106.788 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG23 HG13 ' A' ' 20' ' ' VAL . 69.2 t -113.24 131.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 120.653 -1.279 . . . . 16.210000000000001 108.025 -178.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 p30 -84.59 179.67 7.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 119.332 -2.105 . . . . 23.41 115.383 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 145' ' ' HOH . 87.0 m-20 -67.55 0.11 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 116.144 1.905 . . . . 26.440000000000001 116.144 -176.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -109.52 3.46 21.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 120.462 -1.399 . . . . 35.43 109.957 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.61 65.13 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.847 -0.615 . . . . 27.870000000000001 113.112 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 m -86.71 134.13 33.62 Favored 'General case' 0 N--CA 1.438 -1.027 0 O-C-N 119.79 -2.006 . . . . 26.440000000000001 111.658 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 m -84.42 111.58 19.58 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.269 -0.895 . . . . 20.629999999999999 110.267 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -90.03 -20.77 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 O-C-N 119.299 -2.126 . . . . 24.07 110.53 177.778 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.42 133.04 1.65 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 117.832 -3.043 . . . . 19.629999999999999 109.586 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.06 175.03 15.76 Favored Glycine 0 N--CA 1.443 -0.879 0 O-C-N 118.024 -2.922 . . . . 29.399999999999999 111.863 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -138.76 34.81 2.19 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 113.946 -1.127 . . . . 55.82 110.785 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . . . 63.94 21.3 12.57 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 115.711 1.745 . . . . 33.640000000000001 115.711 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.36 140.42 41.4 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 119.997 -1.689 . . . . 25.059999999999999 110.16 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -123.08 18.29 10.01 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 120.033 -1.667 . . . . 30.879999999999999 113.434 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -62.76 -48.51 78.88 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.355 -1.466 . . . . 17.309999999999999 111.396 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.98 172.46 18.99 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.411 -1.476 . . . . 13.85 109.411 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -72.28 163.47 38.58 Favored 'Trans proline' 0 CA--C 1.517 -0.342 0 C-N-CA 122.495 2.13 . . . . 13.890000000000001 113.756 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.56 126.39 29.53 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 106.626 -1.62 . . . . 13.890000000000001 106.626 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -85.85 -6.93 59.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.389 1.255 . . . . 16.510000000000002 114.389 -178.031 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.24 125.6 24.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.401 -1.437 . . . . 18.93 108.263 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.7 10.01 73.77 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.361 -0.837 . . . . 12.25 112.867 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 40' ' ' LEU 0.285 0.0 OUTLIER -65.25 -39.05 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 120.513 2.157 . . . . 16.870000000000001 111.233 -179.726 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.0 t -49.93 111.96 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 O-C-N 119.101 -2.25 . . . . 15.41 113.135 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.08 84.91 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 120.435 -0.888 . . . . 15.1 113.195 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 138' ' ' HOH . 9.1 ttm180 -89.34 142.44 27.66 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 117.737 -3.214 . . . . 19.350000000000001 111.714 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -67.62 132.56 47.75 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.34 -0.985 . . . . 14.48 108.34 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 138.83 58.2 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 113.2 0.815 . . . . 16.969999999999999 113.2 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.2 33.18 54.66 Favored Glycine 0 C--N 1.344 0.991 0 O-C-N 120.738 -1.226 . . . . 15.0 113.053 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.1 p -131.31 0.23 4.09 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.792 -2.005 . . . . 16.559999999999999 115.524 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -53.9 123.44 12.49 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.825 2.102 . . . . 20.420000000000002 108.265 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.94 68.94 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 118.639 2.829 . . . . 16.559999999999999 118.639 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -102.27 9.04 40.26 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 118.338 -2.726 . . . . 28.219999999999999 113.297 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -99.19 116.68 31.94 Favored 'General case' 0 N--CA 1.433 -1.276 0 O-C-N 118.99 -2.319 . . . . 22.239999999999998 108.118 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -100.82 12.59 37.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.05 -1.46 . . . . 69.709999999999994 113.339 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.28 26.33 15.34 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 119.114 -2.241 . . . . 29.489999999999998 117.504 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.27 147.35 46.5 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 119.241 -2.329 . . . . 20.870000000000001 112.546 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.81 169.43 44.61 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 108.712 -1.755 . . . . 22.68 108.712 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.01 -23.6 60.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.021 -1.87 . . . . 68.439999999999998 112.194 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.36 -39.62 80.92 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 119.437 -2.039 . . . . 25.82 111.095 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.5 tpp -70.49 -40.32 73.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.317 -1.108 . . . . 22.84 110.272 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.72 -42.27 99.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.473 -1.392 . . . . 51.530000000000001 109.759 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.31 -52.76 64.23 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 121.747 -0.595 . . . . 48.920000000000002 111.349 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.93 69.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.427 -2.046 . . . . 21.77 111.847 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.65 93.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.145 -1.597 . . . . 22.329999999999998 109.594 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.45 -36.28 66.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.184 -1.186 . . . . 25.620000000000001 111.196 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -21.62 66.64 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.624 -0.51 . . . . 56.020000000000003 109.624 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.78 15.08 7.59 Favored Glycine 0 N--CA 1.444 -0.785 0 O-C-N 117.671 -3.143 . . . . 25.489999999999998 114.061 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.49 117.38 18.09 Favored 'General case' 0 N--CA 1.461 0.107 0 O-C-N 119.912 -1.934 . . . . 19.07 114.117 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.75 141.12 48.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 104.873 -2.269 . . . . 17.350000000000001 104.873 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -71.61 116.76 12.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 118.739 2.866 . . . . 14.6 118.739 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -122.73 -177.95 3.79 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.243 -1.762 . . . . 21.859999999999999 106.243 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' O ' HG13 ' A' ' 77' ' ' VAL . 67.8 tt0 -66.72 -40.15 88.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 120.403 -1.435 . . . . 15.550000000000001 114.19 -177.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -67.77 -37.85 82.62 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 118.711 -2.493 . . . . 18.789999999999999 113.848 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -76.05 -34.55 59.61 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.188 -0.605 . . . . 21.789999999999999 110.263 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.81 -41.48 91.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.095 -0.706 . . . . 14.220000000000001 109.095 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -76.45 -18.66 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 C-N-CA 115.956 -2.297 . . . . 17.210000000000001 113.761 -177.177 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -81.36 -40.41 23.56 Favored 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 119.705 -1.872 . . . . 28.07 107.358 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 66.5 t80 -63.11 -52.79 61.22 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.175 -1.578 . . . . 13.960000000000001 114.511 -177.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.2 -26.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.881 0.764 . . . . 16.640000000000001 112.748 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.75 -29.14 63.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 119.768 1.167 . . . . 32.310000000000002 113.348 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -164.12 92.87 1.04 Allowed Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 120.152 -1.592 . . . . 25.559999999999999 107.544 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 35.3 Cg_exo -66.87 -30.43 40.27 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 120.97 1.113 . . . . 16.27 114.969 -170.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.1 m -81.1 -33.42 33.31 Favored 'General case' 0 N--CA 1.439 -0.977 0 O-C-N 120.359 -1.463 . . . . 19.960000000000001 111.575 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -69.66 -46.97 64.92 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.806 -1.183 . . . . 28.719999999999999 107.806 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.4 -46.49 69.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.307 -0.871 . . . . 17.309999999999999 111.069 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . 0.732 ' O ' ' HB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -66.61 -34.27 77.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.973 0.351 . . . . 20.0 111.187 -177.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -68.87 -39.87 79.58 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.356 1.075 . . . . 27.399999999999999 111.314 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -71.1 -50.55 32.41 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 119.005 -2.309 . . . . 31.190000000000001 111.71 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.36 -59.39 4.87 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.526 -1.359 . . . . 25.07 112.086 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . 0.732 ' HB ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.49 -23.02 62.41 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 119.263 -2.148 . . . . 28.960000000000001 113.534 -178.399 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.89 12.76 78.94 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 119.911 -1.743 . . . . 23.059999999999999 112.198 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' HG22 ' A' ' 91' ' ' THR . 8.7 t0 -121.15 116.26 24.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 119.983 -1.893 . . . . 27.859999999999999 107.338 178.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.8 -20.62 64.33 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 119.411 -2.056 . . . . 23.350000000000001 115.173 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . -80.49 -8.22 59.48 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.192 -2.192 . . . . 28.440000000000001 112.707 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.72 141.91 30.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 119.949 -1.719 . . . . 26.5 113.648 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -140.12 139.64 35.86 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.356 0.598 . . . . 27.030000000000001 111.634 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.69 148.41 18.97 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 120.79 -1.194 . . . . 23.109999999999999 110.856 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -82.73 -17.43 44.33 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.02 -2.459 . . . . 31.07 110.799 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.1 114.21 14.5 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 120.331 -1.48 . . . . 15.92 108.79 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.6 p -100.59 19.11 17.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.907 1.447 . . . . 26.48 114.907 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -106.67 132.92 52.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 117.45 -3.282 . . . . 22.460000000000001 110.115 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -116.07 128.42 55.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.469 -1.395 . . . . 34.380000000000003 109.08 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.7 tp -83.8 119.73 25.19 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 106.346 -1.724 . . . . 21.52 106.346 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . . . -80.27 -21.79 42.33 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 115.367 1.617 . . . . 39.530000000000001 115.367 -176.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -104.81 126.89 52.34 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.222 1.193 . . . . 35.619999999999997 114.222 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.55 -46.15 91.15 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.822 -0.549 . . . . 52.759999999999998 109.877 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.63 -43.25 68.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.698 -1.251 . . . . 19.18 111.063 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.42 -35.87 81.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.272 -1.518 . . . . 21.43 110.211 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.973 -1.079 . . . . 13.18 111.322 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -68.32 -39.62 81.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.545 -0.462 . . . . 15.59 111.048 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.56 -42.67 98.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 O-C-N 120.207 -1.558 . . . . 18.969999999999999 111.805 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.04 -34.43 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 O-C-N 121.565 -0.71 . . . . 13.279999999999999 110.152 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -68.0 -38.94 83.23 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 119.922 -1.736 . . . . 14.359999999999999 109.429 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.71 74.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 120.323 -1.486 . . . . 9.7699999999999996 111.439 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -68.83 -36.9 78.74 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 122.01 0.91 . . . . 19.93 109.4 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.56 -32.64 68.32 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.828 -2.42 . . . . 12.710000000000001 111.268 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -69.86 -16.53 63.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 120.866 -1.147 . . . . 19.640000000000001 108.975 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.55 -34.05 14.2 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.459 -1.401 . . . . 50.840000000000003 111.907 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 29' ' ' ILE . 31.5 m -119.46 -17.1 6.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 118.583 -2.573 . . . . 19.309999999999999 116.811 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.14 27.29 9.79 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 119.06 -2.275 . . . . 18.57 115.551 -173.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.63 125.85 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.306 -0.627 . . . . 28.510000000000002 109.306 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 136' ' ' HOH . 12.7 ttp180 -95.33 138.69 21.87 Favored Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 112.647 0.61 . . . . 48.049999999999997 112.647 -179.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.455 -0.764 0 C-N-CA 121.239 1.293 . . . . 67.040000000000006 110.119 171.635 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . 0.603 ' O ' ' NH2' ' A' ' 123' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . 0.609 ' O ' ' HD3' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.898 ' OE1' ' HA ' ' A' ' 1' ' ' GLN . 0.3 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 120.794 3.628 . . . . 27.780000000000001 120.794 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.61 0.49 52.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 117.306 -3.372 . . . . 46.840000000000003 111.919 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.2 54.54 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.942 0.745 . . . . 16.059999999999999 111.469 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.549 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 5.7 t0 -101.9 108.74 57.57 Favored Pre-proline 0 CA--C 1.514 -0.408 0 O-C-N 121.653 -0.91 . . . . 21.989999999999998 110.267 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.95 -40.4 84.41 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.405 2.07 . . . . 15.68 114.767 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -65.17 -43.8 90.54 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.93 -1.731 . . . . 38.130000000000003 110.052 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.62 81.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 106.821 -1.548 . . . . 18.09 106.821 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.46 91.08 Favored Glycine 0 CA--C 1.521 0.446 0 O-C-N 119.757 -1.84 . . . . 14.039999999999999 111.739 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.98 60.16 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.005 -1.88 . . . . 14.27 110.71 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -66.24 -44.73 82.91 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.537 1.161 . . . . 28.27 111.133 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 14' ' ' GLN . . . -65.03 -19.66 66.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.037 -1.664 . . . . 15.609999999999999 113.176 -179.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -73.37 -12.73 60.92 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 122.484 1.135 . . . . 16.559999999999999 112.782 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -59.67 -35.81 75.18 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 119.236 -2.165 . . . . 30.550000000000001 109.344 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 1.1 mt-30 -58.11 -35.79 71.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 121.148 -0.97 . . . . 37.560000000000002 112.522 -179.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -73.82 -17.89 61.02 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.077 -1.014 . . . . 15.130000000000001 113.692 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -69.9 -8.75 51.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.823 1.416 . . . . 29.609999999999999 114.823 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -65.4 -21.66 66.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 122.155 0.978 . . . . 22.199999999999999 108.842 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.3 m -136.08 -22.02 1.39 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 114.663 1.357 . . . . 13.19 114.663 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.52 168.23 10.05 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.421 0.896 . . . . 13.9 113.421 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.784 HG13 HG23 ' A' ' 22' ' ' VAL 0.254 0.6 OUTLIER -147.72 149.4 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.395 -2.691 . . . . 17.73 107.774 178.897 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -118.64 95.04 3.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 118.138 -2.851 . . . . 13.550000000000001 106.788 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG23 HG13 ' A' ' 20' ' ' VAL . 69.2 t -113.24 131.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 120.653 -1.279 . . . . 16.210000000000001 108.025 -178.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 p30 -84.59 179.67 7.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 119.332 -2.105 . . . . 23.41 115.383 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 145' ' ' HOH . 87.0 m-20 -67.55 0.11 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 116.144 1.905 . . . . 26.440000000000001 116.144 -176.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -109.52 3.46 21.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 120.462 -1.399 . . . . 35.43 109.957 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.61 65.13 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.847 -0.615 . . . . 27.870000000000001 113.112 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 m -86.71 134.13 33.62 Favored 'General case' 0 N--CA 1.438 -1.027 0 O-C-N 119.79 -2.006 . . . . 26.440000000000001 111.658 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 m -84.42 111.58 19.58 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.269 -0.895 . . . . 20.629999999999999 110.267 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -90.03 -20.77 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 O-C-N 119.299 -2.126 . . . . 24.07 110.53 177.778 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.42 133.04 1.65 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 117.832 -3.043 . . . . 19.629999999999999 109.586 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.06 175.03 15.76 Favored Glycine 0 N--CA 1.443 -0.879 0 O-C-N 118.024 -2.922 . . . . 29.399999999999999 111.863 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -138.76 34.81 2.19 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 113.946 -1.127 . . . . 55.82 110.785 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . . . 63.94 21.3 12.57 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 115.711 1.745 . . . . 33.640000000000001 115.711 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.36 140.42 41.4 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 119.997 -1.689 . . . . 25.059999999999999 110.16 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -123.08 18.29 10.01 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 120.033 -1.667 . . . . 30.879999999999999 113.434 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -62.76 -48.51 78.88 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.355 -1.466 . . . . 17.309999999999999 111.396 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.98 172.46 18.99 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.411 -1.476 . . . . 13.85 109.411 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -72.28 163.47 38.58 Favored 'Trans proline' 0 CA--C 1.517 -0.342 0 C-N-CA 122.495 2.13 . . . . 13.890000000000001 113.756 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.56 126.39 29.53 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 106.626 -1.62 . . . . 13.890000000000001 106.626 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -85.85 -6.93 59.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.389 1.255 . . . . 16.510000000000002 114.389 -178.031 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.24 125.6 24.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.401 -1.437 . . . . 18.93 108.263 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.7 10.01 73.77 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.361 -0.837 . . . . 12.25 112.867 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 40' ' ' LEU 0.285 0.0 OUTLIER -65.25 -39.05 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 120.513 2.157 . . . . 16.870000000000001 111.233 -179.726 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.0 t -49.93 111.96 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 O-C-N 119.101 -2.25 . . . . 15.41 113.135 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.08 84.91 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 120.435 -0.888 . . . . 15.1 113.195 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 138' ' ' HOH . 9.1 ttm180 -89.34 142.44 27.66 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 117.737 -3.214 . . . . 19.350000000000001 111.714 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -67.62 132.56 47.75 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.34 -0.985 . . . . 14.48 108.34 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 138.83 58.2 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 113.2 0.815 . . . . 16.969999999999999 113.2 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.2 33.18 54.66 Favored Glycine 0 C--N 1.344 0.991 0 O-C-N 120.738 -1.226 . . . . 15.0 113.053 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.1 p -131.31 0.23 4.09 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.792 -2.005 . . . . 16.559999999999999 115.524 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -53.9 123.44 12.49 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.825 2.102 . . . . 20.420000000000002 108.265 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.94 68.94 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 118.639 2.829 . . . . 16.559999999999999 118.639 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -102.27 9.04 40.26 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 118.338 -2.726 . . . . 28.219999999999999 113.297 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -99.19 116.68 31.94 Favored 'General case' 0 N--CA 1.433 -1.276 0 O-C-N 118.99 -2.319 . . . . 22.239999999999998 108.118 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -100.82 12.59 37.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.05 -1.46 . . . . 69.709999999999994 113.339 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.28 26.33 15.34 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 119.114 -2.241 . . . . 29.489999999999998 117.504 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -72.27 147.35 46.5 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 119.241 -2.329 . . . . 20.870000000000001 112.546 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.81 169.43 44.61 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 108.712 -1.755 . . . . 22.68 108.712 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.01 -23.6 60.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.021 -1.87 . . . . 68.439999999999998 112.194 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.36 -39.62 80.92 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 119.437 -2.039 . . . . 25.82 111.095 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.5 tpp -70.49 -40.32 73.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.317 -1.108 . . . . 22.84 110.272 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.72 -42.27 99.57 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.473 -1.392 . . . . 51.530000000000001 109.759 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.31 -52.76 64.23 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 121.747 -0.595 . . . . 48.920000000000002 111.349 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.93 69.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.427 -2.046 . . . . 21.77 111.847 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.65 93.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.145 -1.597 . . . . 22.329999999999998 109.594 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.45 -36.28 66.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.184 -1.186 . . . . 25.620000000000001 111.196 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -21.62 66.64 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.624 -0.51 . . . . 56.020000000000003 109.624 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.78 15.08 7.59 Favored Glycine 0 N--CA 1.444 -0.785 0 O-C-N 117.671 -3.143 . . . . 25.489999999999998 114.061 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.49 117.38 18.09 Favored 'General case' 0 N--CA 1.461 0.107 0 O-C-N 119.912 -1.934 . . . . 19.07 114.117 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.75 141.12 48.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 104.873 -2.269 . . . . 17.350000000000001 104.873 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -71.61 116.76 12.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 118.739 2.866 . . . . 14.6 118.739 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -122.73 -177.95 3.79 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.243 -1.762 . . . . 21.859999999999999 106.243 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' O ' HG13 ' A' ' 77' ' ' VAL . 67.8 tt0 -66.72 -40.15 88.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 120.403 -1.435 . . . . 15.550000000000001 114.19 -177.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -67.77 -37.85 82.62 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 118.711 -2.493 . . . . 18.789999999999999 113.848 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -76.05 -34.55 59.61 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.188 -0.605 . . . . 21.789999999999999 110.263 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.81 -41.48 91.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.095 -0.706 . . . . 14.220000000000001 109.095 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -76.45 -18.66 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 C-N-CA 115.956 -2.297 . . . . 17.210000000000001 113.761 -177.177 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -81.36 -40.41 23.56 Favored 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 119.705 -1.872 . . . . 28.07 107.358 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 66.5 t80 -63.11 -52.79 61.22 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.175 -1.578 . . . . 13.960000000000001 114.511 -177.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.2 -26.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.881 0.764 . . . . 16.640000000000001 112.748 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -72.75 -29.14 63.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 119.768 1.167 . . . . 32.310000000000002 113.348 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -164.12 92.87 1.04 Allowed Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 120.152 -1.592 . . . . 25.559999999999999 107.544 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 35.3 Cg_exo -66.87 -30.43 40.27 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 120.97 1.113 . . . . 16.27 114.969 -170.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.1 m -81.1 -33.42 33.31 Favored 'General case' 0 N--CA 1.439 -0.977 0 O-C-N 120.359 -1.463 . . . . 19.960000000000001 111.575 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -69.66 -46.97 64.92 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.806 -1.183 . . . . 28.719999999999999 107.806 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.4 -46.49 69.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.307 -0.871 . . . . 17.309999999999999 111.069 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.732 ' O ' ' HB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -66.61 -34.27 77.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.973 0.351 . . . . 20.0 111.187 -177.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -68.87 -39.87 79.58 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.356 1.075 . . . . 27.399999999999999 111.314 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -71.1 -50.55 32.41 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 119.005 -2.309 . . . . 31.190000000000001 111.71 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.36 -59.39 4.87 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.526 -1.359 . . . . 25.07 112.086 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . 0.732 ' HB ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.49 -23.02 62.41 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 119.263 -2.148 . . . . 28.960000000000001 113.534 -178.399 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.89 12.76 78.94 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 119.911 -1.743 . . . . 23.059999999999999 112.198 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' HG22 ' A' ' 91' ' ' THR . 8.7 t0 -121.15 116.26 24.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 119.983 -1.893 . . . . 27.859999999999999 107.338 178.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.8 -20.62 64.33 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 119.411 -2.056 . . . . 23.350000000000001 115.173 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . -80.49 -8.22 59.48 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.192 -2.192 . . . . 28.440000000000001 112.707 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.72 141.91 30.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 119.949 -1.719 . . . . 26.5 113.648 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -140.12 139.64 35.86 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.356 0.598 . . . . 27.030000000000001 111.634 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.69 148.41 18.97 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 120.79 -1.194 . . . . 23.109999999999999 110.856 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -82.73 -17.43 44.33 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.02 -2.459 . . . . 31.07 110.799 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.1 114.21 14.5 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 120.331 -1.48 . . . . 15.92 108.79 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.6 p -100.59 19.11 17.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.907 1.447 . . . . 26.48 114.907 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -106.67 132.92 52.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 117.45 -3.282 . . . . 22.460000000000001 110.115 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -116.07 128.42 55.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.469 -1.395 . . . . 34.380000000000003 109.08 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.7 tp -83.8 119.73 25.19 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 106.346 -1.724 . . . . 21.52 106.346 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . . . -80.27 -21.79 42.33 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 115.367 1.617 . . . . 39.530000000000001 115.367 -176.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -104.81 126.89 52.34 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.222 1.193 . . . . 35.619999999999997 114.222 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.55 -46.15 91.15 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.822 -0.549 . . . . 52.759999999999998 109.877 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.63 -43.25 68.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.698 -1.251 . . . . 19.18 111.063 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.42 -35.87 81.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.272 -1.518 . . . . 21.43 110.211 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.973 -1.079 . . . . 13.18 111.322 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -68.32 -39.62 81.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.545 -0.462 . . . . 15.59 111.048 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 4' ' ' ASP . 10.9 m120 -63.56 -42.67 98.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 O-C-N 120.207 -1.558 . . . . 18.969999999999999 111.805 179.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.04 -34.43 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 O-C-N 121.565 -0.71 . . . . 13.279999999999999 110.152 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -68.0 -38.94 83.23 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 119.922 -1.736 . . . . 14.359999999999999 109.429 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.71 74.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 120.323 -1.486 . . . . 9.7699999999999996 111.439 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -68.83 -36.9 78.74 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 122.01 0.91 . . . . 19.93 109.4 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.56 -32.64 68.32 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.828 -2.42 . . . . 12.710000000000001 111.268 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -69.86 -16.53 63.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 120.866 -1.147 . . . . 19.640000000000001 108.975 176.809 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.55 -34.05 14.2 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.459 -1.401 . . . . 50.840000000000003 111.907 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 29' ' ' ILE . 31.5 m -119.46 -17.1 6.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 118.583 -2.573 . . . . 19.309999999999999 116.811 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.14 27.29 9.79 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 119.06 -2.275 . . . . 18.57 115.551 -173.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.63 125.85 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.306 -0.627 . . . . 28.510000000000002 109.306 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 136' ' ' HOH . 12.7 ttp180 -95.33 138.69 21.87 Favored Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 112.647 0.61 . . . . 48.049999999999997 112.647 -179.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.455 -0.764 0 C-N-CA 121.239 1.293 . . . . 67.040000000000006 110.119 171.635 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . 0.603 ' O ' ' NH2' ' A' ' 123' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . 0.609 ' O ' ' HD3' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_