data_4dir_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 4dir _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 ' 2' ' ' THR . . . . . 0.662 ' CB ' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.651 -1.24 . . . . 160.56 107.651 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' LEU . 42.7 Cg_exo -36.61 -44.42 1.01 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.1 0.526 . . . . 151.45 113.16 -179.248 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -46.7 -49.11 19.91 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 118.48 -1.288 . . . . 129.26 108.432 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 2' ' ' THR . . . -64.63 -40.92 96.31 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.547 -0.751 . . . . 150.04 111.648 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -65.3 -33.73 76.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.828 -0.805 . . . . 139.23 108.828 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.21 52.0 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 111.853 0.316 . . . . 121.02 111.853 175.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.88 -39.14 68.4 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 120.068 -0.653 . . . . 110.08 112.205 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m -56.53 -47.41 79.45 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 123.236 0.615 . . . . 131.62 110.666 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -60.91 -34.25 74.39 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.652 0.612 . . . . 127.26 112.652 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . 1.093 ' SD ' ' CE ' ' B' ' 11' ' ' MET . 0.0 OUTLIER -57.42 -51.06 70.97 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 124.383 1.052 . . . . 117.53 112.425 176.794 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.35 0.8 OUTLIER -79.5 -43.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-O 118.565 -0.731 . . . . 114.89 109.934 -171.635 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 p -64.51 -34.42 78.18 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.258 0.836 . . . . 133.15 113.258 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -62.23 -42.84 99.68 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.411 -0.959 . . . . 120.73 108.411 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -55.66 -55.16 35.38 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.817 -1.179 . . . . 110.68 107.817 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HIS . . . . . 0.869 ' CE1' ' OD1' ' B' ' 83' ' ' ASN . 66.7 m80 -70.81 -24.75 62.61 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 118.091 -0.957 . . . . 128.67 112.311 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -60.0 -19.03 50.3 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 120.124 -0.63 . . . . 169.98 110.362 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -120.04 -25.44 5.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.778 1.029 . . . . 156.92 113.778 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -70.65 -32.41 69.69 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.982 1.845 . . . . 124.69 115.982 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.02 59.77 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.651 1.02 . . . . 149.58 115.651 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -74.57 -35.44 63.04 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 118.701 1.251 . . . . 179.39 113.445 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.9 159.61 41.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.13 -0.628 . . . . 152.03 110.855 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.99 -151.3 12.67 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 109.664 -1.374 . . . . 131.47 109.664 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 t -59.23 144.82 44.99 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 122.604 1.193 . . . . 117.94 110.664 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -83.24 -7.51 59.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.313 -0.858 . . . . 124.45 108.912 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 -0.8 39.11 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 114.903 1.445 . . . . 119.21 114.903 -179.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.5 p -139.13 157.73 45.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.729 0.776 . . . . 102.33 111.445 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.08 123.55 43.46 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.09 -1.448 . . . . 100.31 107.09 177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.87 178.63 4.76 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.505 -0.924 . . . . 114.2 108.505 169.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -60.0 -45.02 94.1 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 110.234 -0.284 . . . . 154.19 110.234 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . . . -61.77 -48.07 82.32 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 119.596 -0.24 . . . . 133.69 111.634 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -62.35 -38.96 91.53 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 110.05 -0.352 . . . . 122.05 110.05 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.722 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 123.712 0.632 . . . . 117.97 109.392 178.428 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -58.79 -35.82 73.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.107 0.879 . . . . 140.26 111.977 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -60.31 -61.96 2.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 115.367 1.617 . . . . 145.58 115.367 167.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' O ' ' CB ' ' A' ' 37' ' ' ILE . 2.1 tt -51.71 153.73 2.29 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 101.773 -3.417 . . . . 133.16 101.773 165.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . 0.722 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 53.3 mt 88.5 -64.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.539 -0.464 . . . . 148.51 111.814 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -66.95 -53.32 32.88 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 106.337 -1.727 . . . . 177.37 106.337 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -69.71 -22.63 63.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.547 1.314 . . . . 185.62 114.547 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.61 9.33 15.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.239 1.941 . . . . 165.96 116.239 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 114.994 1.479 . . . . 131.96 114.994 167.358 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.566 -0.902 . . . . 170.48 108.566 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -69.52 -44.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.978 -2.23 . . . . 152.52 104.978 172.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -49.22 -47.38 46.31 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.4 0.619 . . . . 173.67 109.865 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -72.3 -24.96 61.41 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.713 0.768 . . . . 158.86 111.013 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.84 -45.21 19.12 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.589 0.709 . . . . 136.0 112.747 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 tpt -43.46 -52.36 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.26 0.837 . . . . 123.23 113.26 164.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -59.41 -40.46 86.71 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.512 -0.921 . . . . 141.59 108.512 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.22 -45.96 89.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.2 0.2 . . . . 131.29 111.371 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -94.94 -29.51 14.62 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.068 1.507 . . . . 121.14 115.068 -167.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -74.72 79.72 2.05 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 123.648 0.593 . . . . 130.58 111.929 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -57.41 -44.99 85.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.827 0.677 . . . . 148.3 112.827 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -89.03 7.79 33.04 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.451 2.389 . . . . 141.61 117.451 -176.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m 56.28 22.5 6.29 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.216 1.191 . . . . 151.11 114.216 176.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -88.35 -1.19 57.9 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.036 -0.529 . . . . 127.15 112.328 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.56 24.63 3.52 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 113.986 1.106 . . . . 141.98 113.986 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -140.38 149.16 42.32 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.049 -1.463 . . . . 112.07 107.049 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mm -101.79 105.16 17.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 O-C-N 124.186 0.929 . . . . 103.77 109.065 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.7 175.96 9.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 118.629 -1.229 . . . . 120.24 109.284 175.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.0 -39.72 90.52 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.218 0.821 . . . . 119.08 113.218 -171.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 72' ' ' SER . . . -58.75 -48.04 82.57 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 109.662 -0.496 . . . . 121.04 109.662 176.245 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.92 -36.7 77.57 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.073 -0.512 . . . . 117.99 111.241 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -65.93 -39.23 90.31 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 106.358 -1.719 . . . . 107.44 106.358 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -49.06 -36.73 19.08 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 116.014 1.857 . . . . 120.67 116.014 175.577 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.45 -26.68 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.136 -1.061 . . . . 113.4 108.136 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -69.39 -49.71 52.81 Favored 'General case' 0 CA--C 1.489 -1.398 0 CA-C-N 115.768 -0.651 . . . . 102.2 109.485 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.4 mt -55.3 -43.93 75.29 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 123.624 0.578 . . . . 108.74 110.791 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.8 m -55.76 -47.03 77.72 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.241 0.83 . . . . 115.16 113.241 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.7 mtt -56.32 -45.08 80.46 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 109.3 -0.63 . . . . 132.88 109.3 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.21 -47.59 81.88 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 120.872 -0.331 . . . . 109.14 111.392 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.4 m -60.63 -44.13 96.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 117.792 -1.563 . . . . 116.44 112.214 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.9 mmm -52.89 -40.17 63.28 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.984 -1.087 . . . . 143.92 110.001 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' ASP . . . -68.63 -60.74 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.125 0.488 . . . . 128.64 110.028 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -45.54 -30.54 1.49 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.593 -0.731 . . . . 133.33 109.317 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.11 -25.35 52.06 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 108.308 -0.997 . . . . 134.53 108.308 -175.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' C ' ' N ' ' A' ' 86' ' ' PHE . 88.4 m-20 -76.97 -51.64 10.79 Favored 'General case' 0 C--O 1.198 -1.615 0 C-N-CA 119.369 -0.932 . . . . 153.77 109.505 179.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -57.16 -7.87 0.6 Allowed 'General case' 0 C--O 1.205 -1.251 0 C-N-CA 119.303 -0.959 . . . . 145.74 110.218 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . 0.55 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 6.0 t80 -103.17 -27.08 12.74 Favored 'General case' 0 C--O 1.197 -1.7 0 N-CA-C 105.987 -1.856 . . . . 144.43 105.987 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 86' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.432 -1.334 0 C-N-CA 119.897 -0.721 . . . . 130.05 110.328 170.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.214 -0.81 0 N-CA-C 107.725 -1.213 . . . . 187.39 107.725 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.89 150.17 77.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 154.95 109.708 -177.117 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.89 -40.52 57.71 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 O-C-N 122.579 0.779 . . . . 140.38 113.878 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' CD2' ' CE ' ' A' ' 11' ' ' MET . . . -56.34 -49.66 73.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.583 0.957 . . . . 125.08 113.583 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -61.24 -37.24 82.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.728 0.811 . . . . 158.09 111.31 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -70.8 -31.6 68.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 118.914 -1.114 . . . . 130.59 109.841 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -49.08 67.86 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.745 0.783 . . . . 116.58 110.311 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.65 -48.83 76.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.57 -0.741 . . . . 114.46 109.809 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -50.23 -44.53 53.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.967 1.099 . . . . 130.17 113.967 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -62.55 -33.64 75.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.482 0.919 . . . . 118.89 113.482 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . 1.093 ' CE ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -67.74 -39.16 84.25 Favored 'General case' 0 C--O 1.192 -1.956 0 C-N-CA 118.364 -1.334 . . . . 120.55 110.471 -177.175 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' B' ' 13' ' ' THR . 1.2 m -78.1 -38.56 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.822 0.701 . . . . 120.06 111.757 -174.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . 0.418 ' N ' ' CG2' ' B' ' 12' ' ' VAL . 71.6 p -75.09 -35.43 61.79 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.079 -0.649 . . . . 128.72 111.068 -178.769 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -63.43 -38.82 92.64 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 106.721 -1.585 . . . . 114.89 106.721 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.07 -50.11 71.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.732 -1.187 . . . . 109.95 110.061 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -78.84 -20.78 48.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.61 1.337 . . . . 121.85 114.61 -174.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . . . -65.11 -18.33 65.22 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.717 -1.135 . . . . 127.47 110.248 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -116.68 -29.25 6.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.4 1.63 . . . . 135.74 115.4 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.0 p -65.8 -31.98 73.26 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.667 0.988 . . . . 120.74 113.667 -176.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.59 -1.52 90.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 119.218 2.447 . . . . 134.12 119.218 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . . . -63.01 -34.5 77.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.307 0.854 . . . . 135.31 113.307 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.1 154.37 27.41 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.351 -0.843 . . . . 138.79 111.266 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.73 -149.61 51.43 Favored Glycine 0 N--CA 1.46 0.253 0 N-CA-C 109.043 -1.623 . . . . 124.26 109.043 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -59.15 146.7 37.94 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 119.456 -0.898 . . . . 120.82 110.611 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' B' ' 210' ' ' HOH . 1.7 mttp -90.87 -1.79 57.81 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 107.486 -1.302 . . . . 136.21 107.486 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.58 -6.0 41.32 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 113.772 -1.558 . . . . 126.41 113.768 178.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . 0.488 ' OG1' ' OE1' ' B' ' 65' ' ' GLU . 2.8 p -135.67 142.04 45.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.059 0.456 . . . . 109.57 112.007 -176.405 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -92.17 121.61 33.87 Favored 'General case' 0 C--O 1.259 1.557 0 N-CA-C 104.388 -2.449 . . . . 108.53 104.388 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -74.0 -174.12 1.78 Allowed 'General case' 0 C--O 1.253 1.274 0 C-N-CA 118.989 -1.084 . . . . 116.01 109.526 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -60.99 -47.29 87.16 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 119.064 -1.054 . . . . 171.94 111.148 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -60.54 -45.32 94.31 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.503 0.557 . . . . 125.97 112.503 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -64.8 -33.81 76.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 122.753 0.421 . . . . 118.17 110.228 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.72 70.95 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 123.77 0.669 . . . . 116.59 110.232 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . . . -59.83 -48.23 82.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 123.818 0.699 . . . . 130.8 110.178 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.13 -42.99 96.01 Favored 'General case' 0 C--O 1.196 -1.714 0 C-N-CA 116.976 -1.89 . . . . 157.99 112.764 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -46.93 -68.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.988 0.805 . . . . 124.94 112.315 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.7 mt -54.12 -60.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.173 0.805 . . . . 135.66 113.173 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . . . -50.21 -46.12 54.27 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.325 0.65 . . . . 154.71 110.684 -175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -77.63 -23.16 49.83 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.181 1.549 . . . . 151.92 115.181 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . 0.662 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.2 mm-40 -119.65 -15.65 8.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.37 2.359 . . . . 145.43 117.37 -170.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -136.99 130.86 32.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.762 -1.199 . . . . 150.9 107.762 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 CA--C 1.555 1.138 0 CA-C-O 121.751 0.786 . . . . 136.39 112.642 179.685 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 108.905 -0.776 . . . . 193.56 108.905 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' B' ' 50' ' ' SER . . . -72.52 163.19 28.42 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 105.214 -2.143 . . . . 207.87 105.214 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 79.27 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 105.927 -1.879 . . . . 189.58 105.927 -174.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . 0.644 ' N ' ' O ' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -110.31 -0.63 17.6 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 101.067 -3.679 . . . . 183.46 101.067 152.741 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -54.62 -44.51 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 104.754 -2.313 . . . . 161.47 104.754 164.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -46.46 -50.25 17.13 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.792 0.683 . . . . 167.88 112.087 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.75 -43.33 96.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.807 -0.757 . . . . 163.54 111.686 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . 0.578 ' O ' ' C ' ' B' ' 55' ' ' MET . 12.6 tp -62.33 -58.5 7.47 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 121.513 0.673 . . . . 147.95 109.71 176.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' MET . . . . . 0.578 ' C ' ' O ' ' B' ' 54' ' ' LEU . 3.9 tpt -36.22 -48.62 0.64 Allowed 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.065 -1.054 . . . . 135.78 109.17 174.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . . . -63.47 -46.33 86.7 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.502 0.668 . . . . 153.83 111.846 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -56.16 -42.11 76.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.788 -0.642 . . . . 143.35 110.608 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -92.67 -38.05 12.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.176 1.547 . . . . 132.01 115.176 -170.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -66.51 86.47 0.11 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 121.255 0.55 . . . . 146.99 112.321 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . . . -65.29 -46.43 80.45 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.322 0.86 . . . . 165.06 113.322 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 p30 -83.12 11.1 6.83 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.512 2.041 . . . . 165.61 116.512 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . . . 52.32 25.37 3.39 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.048 1.129 . . . . 168.66 114.048 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -90.97 -0.59 57.78 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.602 0.593 . . . . 150.58 112.602 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . . . 69.54 21.65 6.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.947 1.299 . . . . 137.38 114.49 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLU . . . . . 0.488 ' OE1' ' OG1' ' B' ' 27' ' ' THR . 1.8 mt-10 -136.89 153.62 50.7 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.907 -0.588 . . . . 130.25 109.451 173.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.8 108.54 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 109.331 -0.618 . . . . 113.22 109.331 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 p30 -78.89 -177.99 5.8 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 118.542 -1.263 . . . . 136.35 111.352 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -71.54 -39.33 70.75 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.714 -1.241 . . . . 120.84 112.022 -171.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . . . -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 107.478 -1.304 . . . . 129.81 107.478 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.32 -35.95 80.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.628 0.603 . . . . 132.7 112.628 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -66.39 -37.91 86.33 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 110.337 -0.246 . . . . 108.56 110.337 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -53.43 -38.11 63.18 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 123.613 0.765 . . . . 113.75 111.056 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -68.64 -30.7 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.543 0.527 . . . . 116.75 111.655 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -68.74 -55.18 12.17 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 103.96 -2.607 . . . . 108.96 103.96 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . . . -47.04 -44.6 20.79 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.536 0.939 . . . . 106.87 113.536 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 43.9 m -55.28 -55.07 35.61 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.783 1.401 . . . . 112.39 114.783 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . . . -49.09 -47.69 44.96 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 108.129 -1.063 . . . . 116.94 108.129 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.7 mt -56.2 -48.23 76.81 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.954 0.724 . . . . 115.47 112.954 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' CYS . . . . . . . . . . . . . 55.2 m -61.8 -45.29 94.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 123.347 0.405 . . . . 117.48 111.141 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -42.65 67.35 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.454 -0.498 . . . . 136.51 111.653 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.72 -45.7 60.95 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.683 0.623 . . . . 138.02 112.683 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.73 -26.45 63.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.963 -1.095 . . . . 139.85 109.541 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . 0.869 ' OD1' ' CE1' ' A' ' 16' ' ' HIS . 52.2 t30 -78.04 -32.61 51.04 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 112.603 0.594 . . . . 138.28 112.603 -176.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.76 -35.56 57.64 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.089 0.774 . . . . 158.22 113.089 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . . . -58.68 -48.69 80.22 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 104.134 -2.543 . . . . 164.77 104.134 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' PHE . . . . . 0.773 ' O ' ' CB ' ' B' ' 87' ' ' LEU . 70.2 t80 -53.93 -41.65 67.95 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 123.947 0.78 . . . . 158.17 109.339 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . 0.773 ' CB ' ' O ' ' B' ' 86' ' ' PHE . 27.7 mt . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.128 -0.693 . . . . 147.06 109.128 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . 0.465 ' O ' ' CE ' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . 0.662 ' CB ' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.651 -1.24 . . . . 160.56 107.651 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' LEU . 42.7 Cg_exo -36.61 -44.42 1.01 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.1 0.526 . . . . 151.44999999999999 113.16 -179.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -46.7 -49.11 19.91 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 118.48 -1.288 . . . . 129.25999999999999 108.432 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 2' ' ' THR . . . -64.63 -40.92 96.31 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.547 -0.751 . . . . 150.03999999999999 111.648 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -65.3 -33.73 76.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.828 -0.805 . . . . 139.22999999999999 108.828 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.21 52.0 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 111.853 0.316 . . . . 121.02 111.853 175.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.88 -39.14 68.4 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 120.068 -0.653 . . . . 110.08 112.205 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m -56.53 -47.41 79.45 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 123.236 0.615 . . . . 131.62 110.666 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -60.91 -34.25 74.39 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.652 0.612 . . . . 127.26000000000001 112.652 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . 1.093 ' SD ' ' CE ' ' B' ' 11' ' ' MET . 0.0 OUTLIER -57.42 -51.06 70.97 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 124.383 1.052 . . . . 117.53 112.425 176.794 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.35 0.8 OUTLIER -79.5 -43.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-O 118.565 -0.731 . . . . 114.89 109.934 -171.635 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 p -64.51 -34.42 78.18 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.258 0.836 . . . . 133.15000000000001 113.258 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -62.23 -42.84 99.68 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.411 -0.959 . . . . 120.73 108.411 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -55.66 -55.16 35.38 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.817 -1.179 . . . . 110.68000000000001 107.817 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 83' ' ' ASN . 96.9 m-70 -70.81 -24.75 62.61 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 118.091 -0.957 . . . . 128.66999999999999 112.311 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 2.8 ttmt -60.0 -19.03 50.3 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 120.124 -0.63 . . . . 169.97999999999999 110.362 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 95.4 m-85 -120.04 -25.44 5.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.778 1.029 . . . . 156.91999999999999 113.778 -175.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -70.65 -32.41 69.69 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.982 1.845 . . . . 124.69 115.982 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.02 59.77 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.651 1.02 . . . . 149.58000000000001 115.651 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -74.57 -35.44 63.04 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 118.701 1.251 . . . . 179.38999999999999 113.445 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.9 159.61 41.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.13 -0.628 . . . . 152.03 110.855 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.99 -151.3 12.67 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 109.664 -1.374 . . . . 131.47 109.664 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 t -59.23 144.82 44.99 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 122.604 1.193 . . . . 117.94 110.664 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -83.24 -7.51 59.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.313 -0.858 . . . . 124.45 108.912 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 -0.8 39.11 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 114.903 1.445 . . . . 119.20999999999999 114.903 -179.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.5 p -139.13 157.73 45.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.729 0.776 . . . . 102.33 111.445 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 45.8 mt -99.08 123.55 43.46 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.09 -1.448 . . . . 100.31 107.09 177.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.87 178.63 4.76 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.505 -0.924 . . . . 114.2 108.505 169.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -60.0 -45.02 94.1 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 110.234 -0.284 . . . . 154.19 110.234 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . . . -61.77 -48.07 82.32 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 119.596 -0.24 . . . . 133.69 111.634 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -62.35 -38.96 91.53 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 110.05 -0.352 . . . . 122.05 110.05 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 1.049 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 123.712 0.632 . . . . 117.97 109.392 178.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -58.79 -35.82 73.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.107 0.879 . . . . 140.25999999999999 111.977 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -60.31 -61.96 2.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 115.367 1.617 . . . . 145.58000000000001 115.367 167.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 2.1 tt -51.71 153.73 2.29 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 101.773 -3.417 . . . . 133.16 101.773 165.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . 1.049 ' CD1' HD22 ' A' ' 33' ' ' LEU . 53.3 mt 88.5 -64.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.539 -0.464 . . . . 148.50999999999999 111.814 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -66.95 -53.32 32.88 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 106.337 -1.727 . . . . 177.37 106.337 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -69.71 -22.63 63.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.547 1.314 . . . . 185.62 114.547 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.61 9.33 15.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.239 1.941 . . . . 165.96000000000001 116.239 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 114.994 1.479 . . . . 131.96000000000001 114.994 167.358 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.566 -0.902 . . . . 170.47999999999999 108.566 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -69.52 -44.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.978 -2.23 . . . . 152.52000000000001 104.978 172.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -49.22 -47.38 46.31 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.4 0.619 . . . . 173.66999999999999 109.865 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -72.3 -24.96 61.41 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.713 0.768 . . . . 158.86000000000001 111.013 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.84 -45.21 19.12 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.589 0.709 . . . . 136.0 112.747 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 tpt -43.46 -52.36 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.26 0.837 . . . . 123.23 113.26 164.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -59.41 -40.46 86.71 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.512 -0.921 . . . . 141.59 108.512 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.22 -45.96 89.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.2 0.2 . . . . 131.28999999999999 111.371 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -94.94 -29.51 14.62 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.068 1.507 . . . . 121.14 115.068 -167.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -74.72 79.72 2.05 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 123.648 0.593 . . . . 130.58000000000001 111.929 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -57.41 -44.99 85.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.827 0.677 . . . . 148.30000000000001 112.827 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -89.03 7.79 33.04 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.451 2.389 . . . . 141.61000000000001 117.451 -176.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m 56.28 22.5 6.29 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.216 1.191 . . . . 151.11000000000001 114.216 176.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -88.35 -1.19 57.9 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.036 -0.529 . . . . 127.15000000000001 112.328 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 71.56 24.63 3.52 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 113.986 1.106 . . . . 141.97999999999999 113.986 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -140.38 149.16 42.32 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.049 -1.463 . . . . 112.06999999999999 107.049 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' HB ' ' HB2' ' A' ' 28' ' ' LEU . 51.5 mm -101.79 105.16 17.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 O-C-N 124.186 0.929 . . . . 103.77 109.065 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.7 175.96 9.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 118.629 -1.229 . . . . 120.23999999999999 109.284 175.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.0 -39.72 90.52 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.218 0.821 . . . . 119.08 113.218 -171.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . 0.757 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . -58.75 -48.04 82.57 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 109.662 -0.496 . . . . 121.04000000000001 109.662 176.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.92 -36.7 77.57 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.073 -0.512 . . . . 117.98999999999999 111.241 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -65.93 -39.23 90.31 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 106.358 -1.719 . . . . 107.44 106.358 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -49.06 -36.73 19.08 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 116.014 1.857 . . . . 120.67 116.014 175.577 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.45 -26.68 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.136 -1.061 . . . . 113.40000000000001 108.136 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -69.39 -49.71 52.81 Favored 'General case' 0 CA--C 1.489 -1.398 0 CA-C-N 115.768 -0.651 . . . . 102.2 109.485 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 11' ' ' MET . 73.4 mt -55.3 -43.93 75.29 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 123.624 0.578 . . . . 108.73999999999999 110.791 -178.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 80' ' ' MET . 68.8 m -55.76 -47.03 77.72 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.241 0.83 . . . . 115.16 113.241 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.7 mtt -56.32 -45.08 80.46 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 109.3 -0.63 . . . . 132.88 109.3 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.21 -47.59 81.88 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 120.872 -0.331 . . . . 109.14 111.392 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.4 m -60.63 -44.13 96.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 117.792 -1.563 . . . . 116.44 112.214 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.9 mmm -52.89 -40.17 63.28 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.984 -1.087 . . . . 143.91999999999999 110.001 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' ASP . . . -68.63 -60.74 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.125 0.488 . . . . 128.63999999999999 110.028 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' HB3' HG11 ' B' ' 12' ' ' VAL . 9.9 m-85 -45.54 -30.54 1.49 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.593 -0.731 . . . . 133.33000000000001 109.317 177.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.11 -25.35 52.06 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 108.308 -0.997 . . . . 134.53 108.308 -175.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' C ' ' N ' ' A' ' 86' ' ' PHE . 88.4 m-20 -76.97 -51.64 10.79 Favored 'General case' 0 C--O 1.198 -1.615 0 C-N-CA 119.369 -0.932 . . . . 153.77000000000001 109.505 179.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -57.16 -7.87 0.6 Allowed 'General case' 0 C--O 1.205 -1.251 0 C-N-CA 119.303 -0.959 . . . . 145.74000000000001 110.218 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 6.0 t80 -103.17 -27.08 12.74 Favored 'General case' 0 C--O 1.197 -1.7 0 N-CA-C 105.987 -1.856 . . . . 144.43000000000001 105.987 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 86' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.432 -1.334 0 C-N-CA 119.897 -0.721 . . . . 130.05000000000001 110.328 170.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.214 -0.81 0 N-CA-C 107.725 -1.213 . . . . 187.38999999999999 107.725 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . 0.788 HG23 ' OE1' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -77.89 150.17 77.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 154.94999999999999 109.708 -177.117 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.89 -40.52 57.71 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 O-C-N 122.579 0.779 . . . . 140.38 113.878 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' CD2' ' CE ' ' A' ' 11' ' ' MET . . . -56.34 -49.66 73.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.583 0.957 . . . . 125.08 113.583 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . 0.788 ' OE1' HG23 ' B' ' 2' ' ' THR . 73.9 mt-10 -61.24 -37.24 82.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.728 0.811 . . . . 158.09 111.31 176.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -70.8 -31.6 68.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 118.914 -1.114 . . . . 130.59 109.841 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 11' ' ' MET . . . -66.46 -49.08 67.86 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.745 0.783 . . . . 116.58 110.311 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 12' ' ' VAL . 13.7 mt -56.65 -48.83 76.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.57 -0.741 . . . . 114.45999999999999 109.809 179.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -50.23 -44.53 53.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.967 1.099 . . . . 130.16999999999999 113.967 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -62.55 -33.64 75.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.482 0.919 . . . . 118.89 113.482 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . 1.093 ' CE ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -67.74 -39.16 84.25 Favored 'General case' 0 C--O 1.192 -1.956 0 C-N-CA 118.364 -1.334 . . . . 120.55 110.471 -177.175 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . 0.48 HG13 ' O ' ' B' ' 8' ' ' LEU . 1.2 m -78.1 -38.56 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.822 0.701 . . . . 120.06 111.757 -174.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . 0.418 ' N ' ' CG2' ' B' ' 12' ' ' VAL . 71.6 p -75.09 -35.43 61.79 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.079 -0.649 . . . . 128.72 111.068 -178.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -63.43 -38.82 92.64 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 106.721 -1.585 . . . . 114.89 106.721 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.07 -50.11 71.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.732 -1.187 . . . . 109.95 110.061 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.84 -20.78 48.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.61 1.337 . . . . 121.84999999999999 114.61 -174.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . . . -65.11 -18.33 65.22 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.717 -1.135 . . . . 127.47 110.248 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -116.68 -29.25 6.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.4 1.63 . . . . 135.74000000000001 115.4 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.0 p -65.8 -31.98 73.26 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.667 0.988 . . . . 120.73999999999999 113.667 -176.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.59 -1.52 90.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 119.218 2.447 . . . . 134.12 119.218 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . . . -63.01 -34.5 77.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.307 0.854 . . . . 135.31 113.307 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.1 154.37 27.41 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.351 -0.843 . . . . 138.78999999999999 111.266 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.73 -149.61 51.43 Favored Glycine 0 N--CA 1.46 0.253 0 N-CA-C 109.043 -1.623 . . . . 124.26000000000001 109.043 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -59.15 146.7 37.94 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 119.456 -0.898 . . . . 120.81999999999999 110.611 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' B' ' 210' ' ' HOH . 1.7 mttp -90.87 -1.79 57.81 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 107.486 -1.302 . . . . 136.21000000000001 107.486 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.58 -6.0 41.32 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 113.772 -1.558 . . . . 126.41 113.768 178.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -135.67 142.04 45.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.059 0.456 . . . . 109.56999999999999 112.007 -176.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 32' ' ' GLU . 57.9 mt -92.17 121.61 33.87 Favored 'General case' 0 C--O 1.259 1.557 0 N-CA-C 104.388 -2.449 . . . . 108.53 104.388 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -74.0 -174.12 1.78 Allowed 'General case' 0 C--O 1.253 1.274 0 C-N-CA 118.989 -1.084 . . . . 116.01000000000001 109.526 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -60.99 -47.29 87.16 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 119.064 -1.054 . . . . 171.94 111.148 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -60.54 -45.32 94.31 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.503 0.557 . . . . 125.97 112.503 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' B' ' 28' ' ' LEU . 62.2 mt-10 -64.8 -33.81 76.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 122.753 0.421 . . . . 118.17 110.228 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.72 70.95 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 123.77 0.669 . . . . 116.59 110.232 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . . . -59.83 -48.23 82.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 123.818 0.699 . . . . 130.80000000000001 110.178 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.13 -42.99 96.01 Favored 'General case' 0 C--O 1.196 -1.714 0 C-N-CA 116.976 -1.89 . . . . 157.99000000000001 112.764 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -46.93 -68.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.988 0.805 . . . . 124.94 112.315 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.7 mt -54.12 -60.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.173 0.805 . . . . 135.66 113.173 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . . . -50.21 -46.12 54.27 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.325 0.65 . . . . 154.71000000000001 110.684 -175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -77.63 -23.16 49.83 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.181 1.549 . . . . 151.91999999999999 115.181 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . 0.662 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.2 mm-40 -119.65 -15.65 8.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.37 2.359 . . . . 145.43000000000001 117.37 -170.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . 0.452 HD23 ' HG3' ' A' ' 5' ' ' GLU . 88.8 mt -136.99 130.86 32.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.762 -1.199 . . . . 150.90000000000001 107.762 177.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 CA--C 1.555 1.138 0 CA-C-O 121.751 0.786 . . . . 136.38999999999999 112.642 179.685 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LYS . . . . . 0.46 ' HB3' ' HE3' ' B' ' 47' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 108.905 -0.776 . . . . 193.56 108.905 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . 0.636 ' O ' ' N ' ' B' ' 50' ' ' SER . . . -72.52 163.19 28.42 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 105.214 -2.143 . . . . 207.87 105.214 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 79.27 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 105.927 -1.879 . . . . 189.58000000000001 105.927 -174.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . 0.636 ' N ' ' O ' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -110.31 -0.63 17.6 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 101.067 -3.679 . . . . 183.46000000000001 101.067 152.741 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -54.62 -44.51 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 104.754 -2.313 . . . . 161.47 104.754 164.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -46.46 -50.25 17.13 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.792 0.683 . . . . 167.88 112.087 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.75 -43.33 96.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.807 -0.757 . . . . 163.53999999999999 111.686 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . 0.578 ' O ' ' C ' ' B' ' 55' ' ' MET . 12.6 tp -62.33 -58.5 7.47 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 121.513 0.673 . . . . 147.94999999999999 109.71 176.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' MET . . . . . 0.578 ' C ' ' O ' ' B' ' 54' ' ' LEU . 3.9 tpt -36.22 -48.62 0.64 Allowed 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.065 -1.054 . . . . 135.78 109.17 174.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . . . -63.47 -46.33 86.7 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.502 0.668 . . . . 153.83000000000001 111.846 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -56.16 -42.11 76.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.788 -0.642 . . . . 143.34999999999999 110.608 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -92.67 -38.05 12.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.176 1.547 . . . . 132.00999999999999 115.176 -170.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -66.51 86.47 0.11 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 121.255 0.55 . . . . 146.99000000000001 112.321 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . . . -65.29 -46.43 80.45 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.322 0.86 . . . . 165.06 113.322 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 p30 -83.12 11.1 6.83 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.512 2.041 . . . . 165.61000000000001 116.512 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . . . 52.32 25.37 3.39 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.048 1.129 . . . . 168.66 114.048 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -90.97 -0.59 57.78 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.602 0.593 . . . . 150.58000000000001 112.602 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . . . 69.54 21.65 6.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.947 1.299 . . . . 137.38 114.49 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.89 153.62 50.7 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.907 -0.588 . . . . 130.25 109.451 173.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.8 108.54 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 109.331 -0.618 . . . . 113.22 109.331 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 p30 -78.89 -177.99 5.8 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 118.542 -1.263 . . . . 136.34999999999999 111.352 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -71.54 -39.33 70.75 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.714 -1.241 . . . . 120.84 112.022 -171.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . . . -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 107.478 -1.304 . . . . 129.81 107.478 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.32 -35.95 80.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.628 0.603 . . . . 132.69999999999999 112.628 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -66.39 -37.91 86.33 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 110.337 -0.246 . . . . 108.56 110.337 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -53.43 -38.11 63.18 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 123.613 0.765 . . . . 113.75 111.056 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -68.64 -30.7 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.543 0.527 . . . . 116.75 111.655 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -68.74 -55.18 12.17 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 103.96 -2.607 . . . . 108.95999999999999 103.96 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . . . -47.04 -44.6 20.79 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.536 0.939 . . . . 106.87 113.536 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' B' ' 80' ' ' MET . 43.9 m -55.28 -55.07 35.61 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.783 1.401 . . . . 112.39 114.783 173.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . . . -49.09 -47.69 44.96 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 108.129 -1.063 . . . . 116.94 108.129 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.7 mt -56.2 -48.23 76.81 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.954 0.724 . . . . 115.47 112.954 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' CYS . . . . . . . . . . . . . 55.2 m -61.8 -45.29 94.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 123.347 0.405 . . . . 117.48 111.141 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' MET . . . . . 0.639 ' HA ' ' HE3' ' B' ' 80' ' ' MET . 0.0 OUTLIER -53.45 -42.65 67.35 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.454 -0.498 . . . . 136.50999999999999 111.653 175.942 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.72 -45.7 60.95 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.683 0.623 . . . . 138.02000000000001 112.683 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.73 -26.45 63.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.963 -1.095 . . . . 139.84999999999999 109.541 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 52.2 t30 -78.04 -32.61 51.04 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 112.603 0.594 . . . . 138.28 112.603 -176.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.76 -35.56 57.64 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.089 0.774 . . . . 158.22 113.089 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . . . -58.68 -48.69 80.22 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 104.134 -2.543 . . . . 164.77000000000001 104.134 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' PHE . . . . . 1.037 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 70.2 t80 -53.93 -41.65 67.95 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 123.947 0.78 . . . . 158.16999999999999 109.339 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . 1.037 ' HB2' ' O ' ' B' ' 86' ' ' PHE . 27.7 mt . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.128 -0.693 . . . . 147.06 109.128 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . 0.65 ' O ' ' HE3' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . 0.662 ' CB ' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.651 -1.24 . . . . 160.56 107.651 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' LEU . 42.7 Cg_exo -36.61 -44.42 1.01 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.1 0.526 . . . . 151.44999999999999 113.16 -179.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -46.7 -49.11 19.91 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 118.48 -1.288 . . . . 129.25999999999999 108.432 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 2' ' ' THR . . . -64.63 -40.92 96.31 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.547 -0.751 . . . . 150.03999999999999 111.648 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -65.3 -33.73 76.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.828 -0.805 . . . . 139.22999999999999 108.828 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.21 52.0 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 111.853 0.316 . . . . 121.02 111.853 175.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.88 -39.14 68.4 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 120.068 -0.653 . . . . 110.08 112.205 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m -56.53 -47.41 79.45 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 123.236 0.615 . . . . 131.62 110.666 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -60.91 -34.25 74.39 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.652 0.612 . . . . 127.26000000000001 112.652 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . 1.093 ' SD ' ' CE ' ' B' ' 11' ' ' MET . 0.0 OUTLIER -57.42 -51.06 70.97 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 124.383 1.052 . . . . 117.53 112.425 176.794 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.35 0.8 OUTLIER -79.5 -43.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-O 118.565 -0.731 . . . . 114.89 109.934 -171.635 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 p -64.51 -34.42 78.18 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.258 0.836 . . . . 133.15000000000001 113.258 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -62.23 -42.84 99.68 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.411 -0.959 . . . . 120.73 108.411 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -55.66 -55.16 35.38 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.817 -1.179 . . . . 110.68000000000001 107.817 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HIS . . . . . 1.054 ' HE1' ' OD1' ' B' ' 83' ' ' ASN . 66.7 m80 -70.81 -24.75 62.61 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 118.091 -0.957 . . . . 128.66999999999999 112.311 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 2.8 ttmt -60.0 -19.03 50.3 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 120.124 -0.63 . . . . 169.97999999999999 110.362 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 95.4 m-85 -120.04 -25.44 5.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.778 1.029 . . . . 156.91999999999999 113.778 -175.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -70.65 -32.41 69.69 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.982 1.845 . . . . 124.69 115.982 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.02 59.77 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 115.651 1.02 . . . . 149.58000000000001 115.651 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -74.57 -35.44 63.04 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 118.701 1.251 . . . . 179.38999999999999 113.445 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.9 159.61 41.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.13 -0.628 . . . . 152.03 110.855 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.99 -151.3 12.67 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 109.664 -1.374 . . . . 131.47 109.664 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 t -59.23 144.82 44.99 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 122.604 1.193 . . . . 117.94 110.664 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -83.24 -7.51 59.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.313 -0.858 . . . . 124.45 108.912 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 -0.8 39.11 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 114.903 1.445 . . . . 119.20999999999999 114.903 -179.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.5 p -139.13 157.73 45.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.729 0.776 . . . . 102.33 111.445 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 45.8 mt -99.08 123.55 43.46 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.09 -1.448 . . . . 100.31 107.09 177.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.87 178.63 4.76 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.505 -0.924 . . . . 114.2 108.505 169.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.624 HH12 HE22 ' A' ' 64' ' ' GLN . 3.7 ttm105 -60.0 -45.02 94.1 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 110.234 -0.284 . . . . 154.19 110.234 173.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . . . -61.77 -48.07 82.32 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 119.596 -0.24 . . . . 133.69 111.634 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -62.35 -38.96 91.53 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 110.05 -0.352 . . . . 122.05 110.05 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.049 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 123.712 0.632 . . . . 117.97 109.392 178.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -58.79 -35.82 73.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.107 0.879 . . . . 140.25999999999999 111.977 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -60.31 -61.96 2.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 115.367 1.617 . . . . 145.58000000000001 115.367 167.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 2.1 tt -51.71 153.73 2.29 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 101.773 -3.417 . . . . 133.16 101.773 165.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.049 ' CD1' HD22 ' A' ' 33' ' ' LEU . 53.3 mt 88.5 -64.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.539 -0.464 . . . . 148.50999999999999 111.814 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -66.95 -53.32 32.88 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 106.337 -1.727 . . . . 177.37 106.337 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -69.71 -22.63 63.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.547 1.314 . . . . 185.62 114.547 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.61 9.33 15.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.239 1.941 . . . . 165.96000000000001 116.239 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 114.994 1.479 . . . . 131.96000000000001 114.994 167.358 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.566 -0.902 . . . . 170.47999999999999 108.566 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -69.52 -44.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.978 -2.23 . . . . 152.52000000000001 104.978 172.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -49.22 -47.38 46.31 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.4 0.619 . . . . 173.66999999999999 109.865 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -72.3 -24.96 61.41 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.713 0.768 . . . . 158.86000000000001 111.013 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.84 -45.21 19.12 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.589 0.709 . . . . 136.0 112.747 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 tpt -43.46 -52.36 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.26 0.837 . . . . 123.23 113.26 164.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -59.41 -40.46 86.71 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.512 -0.921 . . . . 141.59 108.512 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.22 -45.96 89.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.2 0.2 . . . . 131.28999999999999 111.371 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -94.94 -29.51 14.62 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.068 1.507 . . . . 121.14 115.068 -167.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -74.72 79.72 2.05 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 123.648 0.593 . . . . 130.58000000000001 111.929 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -57.41 -44.99 85.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.827 0.677 . . . . 148.30000000000001 112.827 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -89.03 7.79 33.04 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.451 2.389 . . . . 141.61000000000001 117.451 -176.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m 56.28 22.5 6.29 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.216 1.191 . . . . 151.11000000000001 114.216 176.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -88.35 -1.19 57.9 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.036 -0.529 . . . . 127.15000000000001 112.328 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.624 HE22 HH12 ' A' ' 30' ' ' ARG . 0.0 OUTLIER 71.56 24.63 3.52 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 113.986 1.106 . . . . 141.97999999999999 113.986 175.347 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -140.38 149.16 42.32 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.049 -1.463 . . . . 112.06999999999999 107.049 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' HB ' ' HB2' ' A' ' 28' ' ' LEU . 51.5 mm -101.79 105.16 17.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 O-C-N 124.186 0.929 . . . . 103.77 109.065 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.7 175.96 9.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 118.629 -1.229 . . . . 120.23999999999999 109.284 175.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.0 -39.72 90.52 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.218 0.821 . . . . 119.08 113.218 -171.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.757 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . -58.75 -48.04 82.57 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 109.662 -0.496 . . . . 121.04000000000001 109.662 176.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.92 -36.7 77.57 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.073 -0.512 . . . . 117.98999999999999 111.241 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -65.93 -39.23 90.31 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 106.358 -1.719 . . . . 107.44 106.358 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -49.06 -36.73 19.08 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 116.014 1.857 . . . . 120.67 116.014 175.577 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.45 -26.68 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.136 -1.061 . . . . 113.40000000000001 108.136 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -69.39 -49.71 52.81 Favored 'General case' 0 CA--C 1.489 -1.398 0 CA-C-N 115.768 -0.651 . . . . 102.2 109.485 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 11' ' ' MET . 73.4 mt -55.3 -43.93 75.29 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 123.624 0.578 . . . . 108.73999999999999 110.791 -178.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 80' ' ' MET . 68.8 m -55.76 -47.03 77.72 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.241 0.83 . . . . 115.16 113.241 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.7 mtt -56.32 -45.08 80.46 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 109.3 -0.63 . . . . 132.88 109.3 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.21 -47.59 81.88 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 120.872 -0.331 . . . . 109.14 111.392 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.4 m -60.63 -44.13 96.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 117.792 -1.563 . . . . 116.44 112.214 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.9 mmm -52.89 -40.17 63.28 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 118.984 -1.087 . . . . 143.91999999999999 110.001 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' ASP . . . -68.63 -60.74 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.125 0.488 . . . . 128.63999999999999 110.028 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' HB3' HG11 ' B' ' 12' ' ' VAL . 9.9 m-85 -45.54 -30.54 1.49 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.593 -0.731 . . . . 133.33000000000001 109.317 177.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.575 ' OD1' ' HE1' ' B' ' 16' ' ' HIS . 53.2 t30 -77.11 -25.35 52.06 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 108.308 -0.997 . . . . 134.53 108.308 -175.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' C ' ' N ' ' A' ' 86' ' ' PHE . 88.4 m-20 -76.97 -51.64 10.79 Favored 'General case' 0 C--O 1.198 -1.615 0 C-N-CA 119.369 -0.932 . . . . 153.77000000000001 109.505 179.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -57.16 -7.87 0.6 Allowed 'General case' 0 C--O 1.205 -1.251 0 C-N-CA 119.303 -0.959 . . . . 145.74000000000001 110.218 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 6.0 t80 -103.17 -27.08 12.74 Favored 'General case' 0 C--O 1.197 -1.7 0 N-CA-C 105.987 -1.856 . . . . 144.43000000000001 105.987 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 86' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.432 -1.334 0 C-N-CA 119.897 -0.721 . . . . 130.05000000000001 110.328 170.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.214 -0.81 0 N-CA-C 107.725 -1.213 . . . . 187.38999999999999 107.725 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . 0.788 HG23 ' OE1' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -77.89 150.17 77.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 154.94999999999999 109.708 -177.117 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.89 -40.52 57.71 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 O-C-N 122.579 0.779 . . . . 140.38 113.878 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' CD2' ' CE ' ' A' ' 11' ' ' MET . . . -56.34 -49.66 73.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.583 0.957 . . . . 125.08 113.583 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.788 ' OE1' HG23 ' B' ' 2' ' ' THR . 73.9 mt-10 -61.24 -37.24 82.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.728 0.811 . . . . 158.09 111.31 176.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -70.8 -31.6 68.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 118.914 -1.114 . . . . 130.59 109.841 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 11' ' ' MET . . . -66.46 -49.08 67.86 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.745 0.783 . . . . 116.58 110.311 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 12' ' ' VAL . 13.7 mt -56.65 -48.83 76.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.57 -0.741 . . . . 114.45999999999999 109.809 179.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -50.23 -44.53 53.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.967 1.099 . . . . 130.16999999999999 113.967 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -62.55 -33.64 75.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.482 0.919 . . . . 118.89 113.482 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . 1.093 ' CE ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -67.74 -39.16 84.25 Favored 'General case' 0 C--O 1.192 -1.956 0 C-N-CA 118.364 -1.334 . . . . 120.55 110.471 -177.175 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.48 HG13 ' O ' ' B' ' 8' ' ' LEU . 1.2 m -78.1 -38.56 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.822 0.701 . . . . 120.06 111.757 -174.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . 0.418 ' N ' ' CG2' ' B' ' 12' ' ' VAL . 71.6 p -75.09 -35.43 61.79 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.079 -0.649 . . . . 128.72 111.068 -178.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -63.43 -38.82 92.64 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 106.721 -1.585 . . . . 114.89 106.721 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.07 -50.11 71.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.732 -1.187 . . . . 109.95 110.061 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.575 ' HE1' ' OD1' ' A' ' 83' ' ' ASN . 71.5 m80 -78.84 -20.78 48.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.61 1.337 . . . . 121.84999999999999 114.61 -174.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . . . -65.11 -18.33 65.22 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.717 -1.135 . . . . 127.47 110.248 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -116.68 -29.25 6.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.4 1.63 . . . . 135.74000000000001 115.4 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.0 p -65.8 -31.98 73.26 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.667 0.988 . . . . 120.73999999999999 113.667 -176.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.59 -1.52 90.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 119.218 2.447 . . . . 134.12 119.218 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . . . -63.01 -34.5 77.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.307 0.854 . . . . 135.31 113.307 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.1 154.37 27.41 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.351 -0.843 . . . . 138.78999999999999 111.266 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.73 -149.61 51.43 Favored Glycine 0 N--CA 1.46 0.253 0 N-CA-C 109.043 -1.623 . . . . 124.26000000000001 109.043 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -59.15 146.7 37.94 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 119.456 -0.898 . . . . 120.81999999999999 110.611 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' B' ' 210' ' ' HOH . 1.7 mttp -90.87 -1.79 57.81 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 107.486 -1.302 . . . . 136.21000000000001 107.486 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.58 -6.0 41.32 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 113.772 -1.558 . . . . 126.41 113.768 178.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -135.67 142.04 45.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.059 0.456 . . . . 109.56999999999999 112.007 -176.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 32' ' ' GLU . 57.9 mt -92.17 121.61 33.87 Favored 'General case' 0 C--O 1.259 1.557 0 N-CA-C 104.388 -2.449 . . . . 108.53 104.388 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -74.0 -174.12 1.78 Allowed 'General case' 0 C--O 1.253 1.274 0 C-N-CA 118.989 -1.084 . . . . 116.01000000000001 109.526 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -60.99 -47.29 87.16 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 119.064 -1.054 . . . . 171.94 111.148 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -60.54 -45.32 94.31 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.503 0.557 . . . . 125.97 112.503 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' B' ' 28' ' ' LEU . 62.2 mt-10 -64.8 -33.81 76.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 122.753 0.421 . . . . 118.17 110.228 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.72 70.95 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 123.77 0.669 . . . . 116.59 110.232 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . . . -59.83 -48.23 82.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 123.818 0.699 . . . . 130.80000000000001 110.178 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.13 -42.99 96.01 Favored 'General case' 0 C--O 1.196 -1.714 0 C-N-CA 116.976 -1.89 . . . . 157.99000000000001 112.764 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -46.93 -68.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.988 0.805 . . . . 124.94 112.315 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.7 mt -54.12 -60.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.173 0.805 . . . . 135.66 113.173 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . . . -50.21 -46.12 54.27 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.325 0.65 . . . . 154.71000000000001 110.684 -175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -77.63 -23.16 49.83 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.181 1.549 . . . . 151.91999999999999 115.181 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.662 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.2 mm-40 -119.65 -15.65 8.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.37 2.359 . . . . 145.43000000000001 117.37 -170.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.452 HD23 ' HG3' ' A' ' 5' ' ' GLU . 88.8 mt -136.99 130.86 32.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.762 -1.199 . . . . 150.90000000000001 107.762 177.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 CA--C 1.555 1.138 0 CA-C-O 121.751 0.786 . . . . 136.38999999999999 112.642 179.685 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.46 ' HB3' ' HE3' ' B' ' 47' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 108.905 -0.776 . . . . 193.56 108.905 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.636 ' O ' ' N ' ' B' ' 50' ' ' SER . . . -72.52 163.19 28.42 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 105.214 -2.143 . . . . 207.87 105.214 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 79.27 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 105.927 -1.879 . . . . 189.58000000000001 105.927 -174.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . 0.636 ' N ' ' O ' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -110.31 -0.63 17.6 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 101.067 -3.679 . . . . 183.46000000000001 101.067 152.741 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -54.62 -44.51 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 104.754 -2.313 . . . . 161.47 104.754 164.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -46.46 -50.25 17.13 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.792 0.683 . . . . 167.88 112.087 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.75 -43.33 96.76 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.807 -0.757 . . . . 163.53999999999999 111.686 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.578 ' O ' ' C ' ' B' ' 55' ' ' MET . 12.6 tp -62.33 -58.5 7.47 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 121.513 0.673 . . . . 147.94999999999999 109.71 176.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' MET . . . . . 0.578 ' C ' ' O ' ' B' ' 54' ' ' LEU . 3.9 tpt -36.22 -48.62 0.64 Allowed 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.065 -1.054 . . . . 135.78 109.17 174.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . . . -63.47 -46.33 86.7 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.502 0.668 . . . . 153.83000000000001 111.846 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -56.16 -42.11 76.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.788 -0.642 . . . . 143.34999999999999 110.608 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -92.67 -38.05 12.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.176 1.547 . . . . 132.00999999999999 115.176 -170.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -66.51 86.47 0.11 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 121.255 0.55 . . . . 146.99000000000001 112.321 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . . . -65.29 -46.43 80.45 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.322 0.86 . . . . 165.06 113.322 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 p30 -83.12 11.1 6.83 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.512 2.041 . . . . 165.61000000000001 116.512 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . . . 52.32 25.37 3.39 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.048 1.129 . . . . 168.66 114.048 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -90.97 -0.59 57.78 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.602 0.593 . . . . 150.58000000000001 112.602 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . . . 69.54 21.65 6.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.947 1.299 . . . . 137.38 114.49 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.89 153.62 50.7 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.907 -0.588 . . . . 130.25 109.451 173.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.8 108.54 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 109.331 -0.618 . . . . 113.22 109.331 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 p30 -78.89 -177.99 5.8 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 118.542 -1.263 . . . . 136.34999999999999 111.352 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -71.54 -39.33 70.75 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.714 -1.241 . . . . 120.84 112.022 -171.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . . . -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 107.478 -1.304 . . . . 129.81 107.478 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.32 -35.95 80.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.628 0.603 . . . . 132.69999999999999 112.628 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -66.39 -37.91 86.33 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 110.337 -0.246 . . . . 108.56 110.337 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -53.43 -38.11 63.18 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 123.613 0.765 . . . . 113.75 111.056 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -68.64 -30.7 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.543 0.527 . . . . 116.75 111.655 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -68.74 -55.18 12.17 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 103.96 -2.607 . . . . 108.95999999999999 103.96 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . . . -47.04 -44.6 20.79 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.536 0.939 . . . . 106.87 113.536 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' B' ' 80' ' ' MET . 43.9 m -55.28 -55.07 35.61 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.783 1.401 . . . . 112.39 114.783 173.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . . . -49.09 -47.69 44.96 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 108.129 -1.063 . . . . 116.94 108.129 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.7 mt -56.2 -48.23 76.81 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.954 0.724 . . . . 115.47 112.954 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' CYS . . . . . . . . . . . . . 55.2 m -61.8 -45.29 94.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 123.347 0.405 . . . . 117.48 111.141 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' MET . . . . . 0.639 ' HA ' ' HE3' ' B' ' 80' ' ' MET . 0.0 OUTLIER -53.45 -42.65 67.35 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.454 -0.498 . . . . 136.50999999999999 111.653 175.942 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.72 -45.7 60.95 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.683 0.623 . . . . 138.02000000000001 112.683 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.73 -26.45 63.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 118.963 -1.095 . . . . 139.84999999999999 109.541 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . 1.054 ' OD1' ' HE1' ' A' ' 16' ' ' HIS . 52.2 t30 -78.04 -32.61 51.04 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 112.603 0.594 . . . . 138.28 112.603 -176.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.76 -35.56 57.64 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.089 0.774 . . . . 158.22 113.089 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . . . -58.68 -48.69 80.22 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 104.134 -2.543 . . . . 164.77000000000001 104.134 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' PHE . . . . . 1.037 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 70.2 t80 -53.93 -41.65 67.95 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 123.947 0.78 . . . . 158.16999999999999 109.339 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . 1.037 ' HB2' ' O ' ' B' ' 86' ' ' PHE . 27.7 mt . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.128 -0.693 . . . . 147.06 109.128 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . 0.65 ' O ' ' HE3' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_