data_3sj4_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 3sj4 _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 ' X' X ' 1' ' ' ALA . . . . . 0.457 ' N ' ' O2A' ' X' ' 72' ' ' HEM . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.941 0.877 . . . . 23.859999999999999 110.026 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -91.2 156.47 17.82 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.945 -1.025 . . . . 22.370000000000001 110.223 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.11 162.32 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.914 0.759 . . . . 16.969999999999999 110.201 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' ILE . . . . . 0.8 ' CD1' ' CD1' ' X' ' 6' ' ' LEU . 0.7 OUTLIER -121.37 157.24 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.655 -0.818 . . . . 20.550000000000001 109.603 179.314 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 31.0 t -121.33 132.19 71.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 N-CA-C 106.714 -1.587 . . . . 16.050000000000001 106.714 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' LEU . . . . . 0.8 ' CD1' ' CD1' ' X' ' 4' ' ' ILE . 1.4 mm? -94.51 125.41 39.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.71 -1.589 . . . . 12.029999999999999 106.71 177.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -83.62 64.67 8.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.651 0.982 . . . . 23.07 113.651 -172.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.6 133.2 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.6 -0.889 . . . . 14.75 108.6 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.45 -35.44 67.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 36.289999999999999 112.44 -175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -78.11 -7.67 57.29 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.981 1.104 . . . . 15.19 113.981 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.13 133.39 2.04 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.519 -0.632 . . . . 13.800000000000001 111.519 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -46.69 141.7 3.69 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.555 0.742 . . . . 19.719999999999999 111.489 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -118.77 115.99 49.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 N-CA-C 108.689 -0.856 . . . . 11.720000000000001 108.689 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -82.56 143.67 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.339 -0.615 . . . . 30.800000000000001 109.339 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -122.17 100.61 42.29 Favored Pre-proline 0 N--CA 1.45 -0.426 0 N-CA-C 106.991 -1.485 . . . . 12.630000000000001 106.991 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.99 108.0 0.93 Allowed 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 121.939 1.76 . . . . 13.09 111.694 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.73 -42.31 82.1 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.003 1.112 . . . . 13.35 114.003 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -51.18 -47.33 62.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.905 -0.718 . . . . 32.170000000000002 112.302 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.56 74.17 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.77 -0.581 . . . . 12.300000000000001 111.64 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -75.32 -42.57 54.2 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 114.213 1.19 . . . . 10.92 114.213 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.36 -43.46 75.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.12 -0.491 . . . . 31.960000000000001 110.448 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -70.48 -45.54 65.49 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 114.081 1.141 . . . . 36.829999999999998 114.081 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.17 -15.87 45.53 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 114.505 1.298 . . . . 14.26 114.505 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.36 64.06 67.76 Favored Pre-proline 0 C--O 1.251 1.141 0 N-CA-C 106.642 -1.614 . . . . 13.27 106.642 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -57.37 -21.13 43.2 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 121.836 1.691 . . . . 16.300000000000001 114.074 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -74.88 86.64 2.26 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 122.184 0.993 . . . . 22.460000000000001 110.973 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' X' ' 72' ' ' HEM . 4.6 m -58.4 -27.47 64.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.217 1.191 . . . . 13.75 114.217 -174.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.34 -5.01 25.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.885 0.698 . . . . 24.969999999999999 112.885 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.49 -30.89 70.9 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 119.458 -0.306 . . . . 28.879999999999999 110.797 168.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' CYS . . . . . 1.479 ' SG ' ' CAC' ' X' ' 72' ' ' HEM . 71.3 m -125.06 -27.72 3.52 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 116.475 2.028 . . . . 13.65 116.475 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -101.91 157.7 16.66 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.54 0.941 . . . . 13.67 113.54 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.57 30.86 19.43 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.333 0.587 . . . . 20.48 112.337 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.64 158.25 33.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.03 -1.841 . . . . 28.629999999999999 106.03 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.24 173.51 28.57 Favored Glycine 0 C--O 1.251 1.167 0 N-CA-C 110.072 -1.211 . . . . 23.73 110.072 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.19 159.9 41.0 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 109.777 -0.893 . . . . 23.879999999999999 109.777 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -14.0 52.42 Favored Glycine 0 C--O 1.239 0.442 0 CA-C-O 119.336 -0.702 . . . . 19.5 113.777 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' X' ' 121' ' ' HOH . 71.2 mmtt -71.62 -27.1 62.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.764 1.024 . . . . 24.890000000000001 113.764 -174.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.66 -46.15 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 121.857 0.837 . . . . 14.85 109.554 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -28.92 67.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.2 -0.6 . . . . 17.82 111.036 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 -23.76 63.39 Favored Glycine 0 N--CA 1.461 0.332 0 N-CA-C 115.1 0.8 . . . . 15.69 115.1 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -70.17 142.05 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.957 0.884 . . . . 14.52 110.514 -173.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.34 -162.45 23.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.853 -1.299 . . . . 13.98 109.853 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.22 -41.82 94.07 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.722 -0.473 . . . . 23.460000000000001 109.722 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' GLU . . . . . . . . . . . . . . . -54.59 -54.32 42.89 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.363 0.415 . . . . 17.859999999999999 111.855 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.85 -46.18 90.58 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.312 -0.404 . . . . 30.809999999999999 111.349 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.98 86.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.911 0.862 . . . . 13.289999999999999 112.709 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -82.81 -9.42 59.34 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.616 -0.72 . . . . 15.67 109.753 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.1 -140.23 9.57 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 111.754 -0.539 . . . . 17.579999999999998 111.754 173.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -64.07 -16.2 61.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 36.060000000000002 114.554 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.96 92.27 Favored Glycine 0 C--O 1.245 0.791 0 N-CA-C 116.683 1.433 . . . . 15.380000000000001 116.683 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -141.93 -74.95 0.3 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.548 0.689 . . . . 11.9 110.255 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -57.79 -45.06 86.58 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.668 -0.696 . . . . 18.649999999999999 112.014 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.25 -41.51 86.85 Favored Glycine 0 C--O 1.239 0.456 0 N-CA-C 115.358 0.903 . . . . 14.82 115.358 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.34 -42.97 92.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 118.713 -1.195 . . . . 14.109999999999999 112.547 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -54.47 -40.93 68.93 Favored 'General case' 0 C--O 1.262 1.749 0 CA-C-O 121.497 0.665 . . . . 14.31 112.082 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.55 -41.13 76.33 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.419 -0.809 . . . . 27.059999999999999 111.668 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.77 -41.24 71.99 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.087 0.47 . . . . 40.909999999999997 110.935 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.9 -11.52 59.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 112.681 0.622 . . . . 20.219999999999999 112.681 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 67.78 26.93 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.423 1.268 . . . . 34.460000000000001 114.423 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -154.62 144.15 21.42 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 116.236 -0.438 . . . . 25.98 111.201 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 159.25 14.69 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 109.93 -1.268 . . . . 14.619999999999999 109.93 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.21 131.84 31.81 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.573 1.515 . . . . 12.18 113.083 -173.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' THR . . . . . . . . . . . . . 79.4 p -125.53 -0.23 7.53 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.659 0.985 . . . . 14.92 113.659 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -104.06 150.55 24.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.337 -0.616 . . . . 30.039999999999999 109.337 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' CYS . . . . . . . . . . . . . 11.7 m -48.85 -54.73 14.07 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.677 0.391 . . . . 11.69 111.971 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.67 -10.01 79.36 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 116.154 1.222 . . . . 14.35 116.154 -176.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -79.09 -28.7 43.08 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 117.549 0.675 . . . . 22.23 112.566 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' CYS . . . . . 1.434 ' SG ' ' CAC' ' X' ' 74' ' ' HEM . 68.4 m -96.87 -45.79 6.49 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.262 0.838 . . . . 12.130000000000001 113.262 173.204 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.8 123.29 31.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 15.43 112.75 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -147.17 120.78 9.14 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.864 -0.607 . . . . 39.049999999999997 111.419 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.382 -0.826 . . . . 33.079999999999998 111.928 175.305 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' HEM . . . . . 1.479 ' CAC' ' SG ' ' X' ' 30' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' HEM . . . . . 1.434 ' CAC' ' SG ' ' X' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' DXC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' HOH . . . . . 0.526 ' O ' ' NZ ' ' X' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.941 0.877 . . . . 23.86 110.026 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -91.2 156.47 17.82 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.945 -1.025 . . . . 22.37 110.223 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.11 162.32 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.914 0.759 . . . . 16.97 110.201 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 4' ' ' ILE . . . . . 0.917 ' CD1' HD13 ' X' ' 6' ' ' LEU . 0.7 OUTLIER -121.37 157.24 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.655 -0.818 . . . . 20.55 109.603 179.314 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' X' X ' 5' ' ' VAL . . . . . 0.418 ' N ' HD12 ' X' ' 4' ' ' ILE . 31.0 t -121.33 132.19 71.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 N-CA-C 106.714 -1.587 . . . . 16.05 106.714 176.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 6' ' ' LEU . . . . . 0.917 HD13 ' CD1' ' X' ' 4' ' ' ILE . 1.4 mm? -94.51 125.41 39.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.71 -1.589 . . . . 12.03 106.71 177.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -83.62 64.67 8.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.651 0.982 . . . . 23.07 113.651 -172.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.6 133.2 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.6 -0.889 . . . . 14.75 108.6 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.45 -35.44 67.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 36.29 112.44 -175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -78.11 -7.67 57.29 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.981 1.104 . . . . 15.19 113.981 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.13 133.39 2.04 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.519 -0.632 . . . . 13.8 111.519 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -46.69 141.7 3.69 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.555 0.742 . . . . 19.72 111.489 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -118.77 115.99 49.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 N-CA-C 108.689 -0.856 . . . . 11.72 108.689 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -82.56 143.67 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.339 -0.615 . . . . 30.8 109.339 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -122.17 100.61 42.29 Favored Pre-proline 0 N--CA 1.45 -0.426 0 N-CA-C 106.991 -1.485 . . . . 12.63 106.991 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.99 108.0 0.93 Allowed 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 121.939 1.76 . . . . 13.09 111.694 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.73 -42.31 82.1 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.003 1.112 . . . . 13.35 114.003 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -51.18 -47.33 62.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.905 -0.718 . . . . 32.17 112.302 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.56 74.17 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.77 -0.581 . . . . 12.3 111.64 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -75.32 -42.57 54.2 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 114.213 1.19 . . . . 10.92 114.213 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.36 -43.46 75.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.12 -0.491 . . . . 31.96 110.448 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -70.48 -45.54 65.49 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 114.081 1.141 . . . . 36.83 114.081 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.17 -15.87 45.53 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 114.505 1.298 . . . . 14.26 114.505 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.36 64.06 67.76 Favored Pre-proline 0 C--O 1.251 1.141 0 N-CA-C 106.642 -1.614 . . . . 13.27 106.642 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -57.37 -21.13 43.2 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 121.836 1.691 . . . . 16.3 114.074 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -74.88 86.64 2.26 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 122.184 0.993 . . . . 22.46 110.973 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' X' ' 72' ' ' HEM . 4.6 m -58.4 -27.47 64.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.217 1.191 . . . . 13.75 114.217 -174.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.34 -5.01 25.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.885 0.698 . . . . 24.97 112.885 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.49 -30.89 70.9 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 119.458 -0.306 . . . . 28.88 110.797 168.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' CYS . . . . . 1.479 ' SG ' ' CAC' ' X' ' 72' ' ' HEM . 71.3 m -125.06 -27.72 3.52 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 116.475 2.028 . . . . 13.65 116.475 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 31' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -101.91 157.7 16.66 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.54 0.941 . . . . 13.67 113.54 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.57 30.86 19.43 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.333 0.587 . . . . 20.48 112.337 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.64 158.25 33.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.03 -1.841 . . . . 28.63 106.03 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.24 173.51 28.57 Favored Glycine 0 C--O 1.251 1.167 0 N-CA-C 110.072 -1.211 . . . . 23.73 110.072 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.19 159.9 41.0 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 109.777 -0.893 . . . . 23.88 109.777 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -14.0 52.42 Favored Glycine 0 C--O 1.239 0.442 0 CA-C-O 119.336 -0.702 . . . . 19.5 113.777 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -71.62 -27.1 62.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.764 1.024 . . . . 24.89 113.764 -174.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.66 -46.15 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 121.857 0.837 . . . . 14.85 109.554 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -28.92 67.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.2 -0.6 . . . . 17.82 111.036 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 -23.76 63.39 Favored Glycine 0 N--CA 1.461 0.332 0 N-CA-C 115.1 0.8 . . . . 15.69 115.1 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -70.17 142.05 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.957 0.884 . . . . 14.52 110.514 -173.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.34 -162.45 23.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.853 -1.299 . . . . 13.98 109.853 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.22 -41.82 94.07 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.722 -0.473 . . . . 23.46 109.722 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 44' ' ' GLU . . . . . . . . . . . . . . . -54.59 -54.32 42.89 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.363 0.415 . . . . 17.86 111.855 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.85 -46.18 90.58 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.312 -0.404 . . . . 30.81 111.349 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.98 86.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.911 0.862 . . . . 13.29 112.709 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 47' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -82.81 -9.42 59.34 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.616 -0.72 . . . . 15.67 109.753 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.1 -140.23 9.57 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 111.754 -0.539 . . . . 17.58 111.754 173.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -64.07 -16.2 61.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 36.06 114.554 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.96 92.27 Favored Glycine 0 C--O 1.245 0.791 0 N-CA-C 116.683 1.433 . . . . 15.38 116.683 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -141.93 -74.95 0.3 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.548 0.689 . . . . 11.9 110.255 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 52' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -57.79 -45.06 86.58 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.668 -0.696 . . . . 18.65 112.014 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.25 -41.51 86.85 Favored Glycine 0 C--O 1.239 0.456 0 N-CA-C 115.358 0.903 . . . . 14.82 115.358 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 54' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.34 -42.97 92.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 118.713 -1.195 . . . . 14.11 112.547 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 55' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -54.47 -40.93 68.93 Favored 'General case' 0 C--O 1.262 1.749 0 CA-C-O 121.497 0.665 . . . . 14.31 112.082 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.55 -41.13 76.33 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.419 -0.809 . . . . 27.06 111.668 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.77 -41.24 71.99 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.087 0.47 . . . . 40.91 110.935 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.9 -11.52 59.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 112.681 0.622 . . . . 20.22 112.681 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 67.78 26.93 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.423 1.268 . . . . 34.46 114.423 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -154.62 144.15 21.42 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 116.236 -0.438 . . . . 25.98 111.201 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 159.25 14.69 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 109.93 -1.268 . . . . 14.62 109.93 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 62' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.21 131.84 31.81 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.573 1.515 . . . . 12.18 113.083 -173.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 63' ' ' THR . . . . . . . . . . . . . 79.4 p -125.53 -0.23 7.53 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.659 0.985 . . . . 14.92 113.659 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -104.06 150.55 24.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.337 -0.616 . . . . 30.04 109.337 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 65' ' ' CYS . . . . . . . . . . . . . 11.7 m -48.85 -54.73 14.07 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.677 0.391 . . . . 11.69 111.971 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.67 -10.01 79.36 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 116.154 1.222 . . . . 14.35 116.154 -176.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -79.09 -28.7 43.08 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 117.549 0.675 . . . . 22.23 112.566 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 68' ' ' CYS . . . . . 1.434 ' SG ' ' CAC' ' X' ' 74' ' ' HEM . 68.4 m -96.87 -45.79 6.49 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.262 0.838 . . . . 12.13 113.262 173.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.8 123.29 31.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 15.43 112.75 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -147.17 120.78 9.14 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.864 -0.607 . . . . 39.05 111.419 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 71' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.382 -0.826 . . . . 33.08 111.928 175.305 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 72' ' ' HEM . . . . . 1.479 ' CAC' ' SG ' ' X' ' 30' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 73' ' ' HEM . . . . . 0.625 HBC2 HMC2 ' X' ' 73' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 74' ' ' HEM . . . . . 1.434 ' CAC' ' SG ' ' X' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 75' ' ' DXC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 76' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 77' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 78' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.941 0.877 . . . . 23.859999999999999 110.026 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -91.2 156.47 17.82 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.945 -1.025 . . . . 22.370000000000001 110.223 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.11 162.32 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.914 0.759 . . . . 16.969999999999999 110.201 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' ILE . . . . . 0.917 ' CD1' HD13 ' X' ' 6' ' ' LEU . 0.7 OUTLIER -121.37 157.24 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.655 -0.818 . . . . 20.550000000000001 109.603 179.314 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' VAL . . . . . 0.418 ' N ' HD12 ' X' ' 4' ' ' ILE . 31.0 t -121.33 132.19 71.23 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.914 0 N-CA-C 106.714 -1.587 . . . . 16.050000000000001 106.714 176.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.917 HD13 ' CD1' ' X' ' 4' ' ' ILE . 1.4 mm? -94.51 125.41 39.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.71 -1.589 . . . . 12.029999999999999 106.71 177.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -83.62 64.67 8.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.651 0.982 . . . . 23.07 113.651 -172.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.6 133.2 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.6 -0.889 . . . . 14.75 108.6 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.45 -35.44 67.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 36.289999999999999 112.44 -175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -78.11 -7.67 57.29 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.981 1.104 . . . . 15.19 113.981 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.13 133.39 2.04 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.519 -0.632 . . . . 13.800000000000001 111.519 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -46.69 141.7 3.69 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.555 0.742 . . . . 19.719999999999999 111.489 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -118.77 115.99 49.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 N-CA-C 108.689 -0.856 . . . . 11.720000000000001 108.689 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -82.56 143.67 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.339 -0.615 . . . . 30.800000000000001 109.339 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -122.17 100.61 42.29 Favored Pre-proline 0 N--CA 1.45 -0.426 0 N-CA-C 106.991 -1.485 . . . . 12.630000000000001 106.991 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.99 108.0 0.93 Allowed 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 121.939 1.76 . . . . 13.09 111.694 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.73 -42.31 82.1 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.003 1.112 . . . . 13.35 114.003 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -51.18 -47.33 62.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.905 -0.718 . . . . 32.170000000000002 112.302 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.56 74.17 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.77 -0.581 . . . . 12.300000000000001 111.64 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -75.32 -42.57 54.2 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 114.213 1.19 . . . . 10.92 114.213 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.36 -43.46 75.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.12 -0.491 . . . . 31.960000000000001 110.448 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -70.48 -45.54 65.49 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 114.081 1.141 . . . . 36.829999999999998 114.081 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.17 -15.87 45.53 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 114.505 1.298 . . . . 14.26 114.505 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.36 64.06 67.76 Favored Pre-proline 0 C--O 1.251 1.141 0 N-CA-C 106.642 -1.614 . . . . 13.27 106.642 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -57.37 -21.13 43.2 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 121.836 1.691 . . . . 16.300000000000001 114.074 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -74.88 86.64 2.26 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 122.184 0.993 . . . . 22.460000000000001 110.973 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' X' ' 72' ' ' HEM . 4.6 m -58.4 -27.47 64.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.217 1.191 . . . . 13.75 114.217 -174.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.34 -5.01 25.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.885 0.698 . . . . 24.969999999999999 112.885 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.49 -30.89 70.9 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 119.458 -0.306 . . . . 28.879999999999999 110.797 168.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' CYS . . . . . 1.479 ' SG ' ' CAC' ' X' ' 72' ' ' HEM . 71.3 m -125.06 -27.72 3.52 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 116.475 2.028 . . . . 13.65 116.475 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -101.91 157.7 16.66 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.54 0.941 . . . . 13.67 113.54 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.57 30.86 19.43 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.333 0.587 . . . . 20.48 112.337 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.64 158.25 33.96 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.03 -1.841 . . . . 28.629999999999999 106.03 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.24 173.51 28.57 Favored Glycine 0 C--O 1.251 1.167 0 N-CA-C 110.072 -1.211 . . . . 23.73 110.072 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.19 159.9 41.0 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 109.777 -0.893 . . . . 23.879999999999999 109.777 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -14.0 52.42 Favored Glycine 0 C--O 1.239 0.442 0 CA-C-O 119.336 -0.702 . . . . 19.5 113.777 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -71.62 -27.1 62.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.764 1.024 . . . . 24.890000000000001 113.764 -174.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.66 -46.15 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 121.857 0.837 . . . . 14.85 109.554 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -28.92 67.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.2 -0.6 . . . . 17.82 111.036 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 -23.76 63.39 Favored Glycine 0 N--CA 1.461 0.332 0 N-CA-C 115.1 0.8 . . . . 15.69 115.1 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -70.17 142.05 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.957 0.884 . . . . 14.52 110.514 -173.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.34 -162.45 23.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.853 -1.299 . . . . 13.98 109.853 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.22 -41.82 94.07 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.722 -0.473 . . . . 23.460000000000001 109.722 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' GLU . . . . . . . . . . . . . . . -54.59 -54.32 42.89 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.363 0.415 . . . . 17.859999999999999 111.855 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.85 -46.18 90.58 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.312 -0.404 . . . . 30.809999999999999 111.349 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.98 86.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.911 0.862 . . . . 13.289999999999999 112.709 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -82.81 -9.42 59.34 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.616 -0.72 . . . . 15.67 109.753 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.1 -140.23 9.57 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 111.754 -0.539 . . . . 17.579999999999998 111.754 173.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -64.07 -16.2 61.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 36.060000000000002 114.554 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.96 92.27 Favored Glycine 0 C--O 1.245 0.791 0 N-CA-C 116.683 1.433 . . . . 15.380000000000001 116.683 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -141.93 -74.95 0.3 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.548 0.689 . . . . 11.9 110.255 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -57.79 -45.06 86.58 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.668 -0.696 . . . . 18.649999999999999 112.014 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.25 -41.51 86.85 Favored Glycine 0 C--O 1.239 0.456 0 N-CA-C 115.358 0.903 . . . . 14.82 115.358 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.34 -42.97 92.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 118.713 -1.195 . . . . 14.109999999999999 112.547 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -54.47 -40.93 68.93 Favored 'General case' 0 C--O 1.262 1.749 0 CA-C-O 121.497 0.665 . . . . 14.31 112.082 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.55 -41.13 76.33 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.419 -0.809 . . . . 27.059999999999999 111.668 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.77 -41.24 71.99 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.087 0.47 . . . . 40.909999999999997 110.935 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.9 -11.52 59.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 112.681 0.622 . . . . 20.219999999999999 112.681 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 67.78 26.93 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.423 1.268 . . . . 34.460000000000001 114.423 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -154.62 144.15 21.42 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 116.236 -0.438 . . . . 25.98 111.201 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 159.25 14.69 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 109.93 -1.268 . . . . 14.619999999999999 109.93 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.21 131.84 31.81 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.573 1.515 . . . . 12.18 113.083 -173.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' THR . . . . . . . . . . . . . 79.4 p -125.53 -0.23 7.53 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.659 0.985 . . . . 14.92 113.659 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -104.06 150.55 24.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.337 -0.616 . . . . 30.039999999999999 109.337 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' CYS . . . . . . . . . . . . . 11.7 m -48.85 -54.73 14.07 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.677 0.391 . . . . 11.69 111.971 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.67 -10.01 79.36 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 116.154 1.222 . . . . 14.35 116.154 -176.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -79.09 -28.7 43.08 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 117.549 0.675 . . . . 22.23 112.566 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' CYS . . . . . 1.434 ' SG ' ' CAC' ' X' ' 74' ' ' HEM . 68.4 m -96.87 -45.79 6.49 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.262 0.838 . . . . 12.130000000000001 113.262 173.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.8 123.29 31.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 15.43 112.75 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -147.17 120.78 9.14 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.864 -0.607 . . . . 39.049999999999997 111.419 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.382 -0.826 . . . . 33.079999999999998 111.928 175.305 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' HEM . . . . . 1.479 ' CAC' ' SG ' ' X' ' 30' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' HEM . . . . . 0.625 HBC2 HMC2 ' X' ' 73' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' HEM . . . . . 1.434 ' CAC' ' SG ' ' X' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' DXC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_