data_2oyp_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 2oyp _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 ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ptp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.816 -0.438 . . . . 16.68 109.816 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -80.87 146.31 30.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.509 -0.876 . . . . 20.16 110.321 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.7 147.0 18.91 Favored Glycine 0 N--CA 1.471 0.968 0 CA-C-N 115.102 -0.954 . . . . 19.75 114.97 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -122.21 144.05 49.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.963 1.305 . . . . 19.5 109.477 -178.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -128.72 124.95 36.92 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 108.503 -0.925 . . . . 36.01 108.503 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.37 136.89 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 107.368 -1.345 . . . . 18.98 107.368 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 143.54 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 110.007 -0.368 . . . . 23.88 110.007 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -53.14 135.27 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 107.984 -1.117 . . . . 20.76 107.984 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.42 -13.27 60.64 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.434 0.534 . . . . 21.65 114.434 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -97.08 179.09 5.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.576 -0.849 . . . . 29.14 110.878 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -102.3 126.5 49.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.948 0.351 . . . . 22.28 111.948 -176.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.19 133.1 34.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.004 -0.678 . . . . 18.5 109.797 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -113.77 116.8 29.95 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.78 -1.193 . . . . 16.7 107.78 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.5 mt -115.51 108.65 47.01 Favored Pre-proline 0 C--O 1.22 -0.457 0 N-CA-C 109.009 -0.738 . . . . 16.74 109.009 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.7 138.22 23.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 N-CA-C 114.497 0.922 . . . . 16.11 114.497 -175.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -158.07 130.94 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.29 -1.374 . . . . 16.55 107.29 173.426 -171.486 -170.604 -79.35 104.968 2.035 104.283 -148.756 174.442 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -147.34 169.23 19.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.933 0.716 . . . . 15.69 112.933 -176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -154.71 160.94 41.68 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.761 -0.829 . . . . 18.35 108.761 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -79.18 112.87 16.82 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.294 -1.002 . . . . 25.73 108.294 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.97 114.17 65.26 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.204 -0.907 . . . . 29.37 109.887 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.17 151.46 16.92 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 122.86 2.373 . . . . 32.9 112.513 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 m -53.64 125.51 18.51 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.695 0.622 . . . . 35.11 109.86 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 p 51.04 37.05 16.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.776 0.831 . . . . 36.05 112.531 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.12 151.14 31.24 Favored Glycine 0 C--O 1.24 0.531 0 CA-C-N 115.665 -0.698 . . . . 32.28 112.568 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -68.43 138.68 55.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.237 -1.764 . . . . 27.78 106.237 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.36 144.55 57.02 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 121.163 -0.215 . . . . 21.73 111.058 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.86 128.29 42.14 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 107.094 -1.447 . . . . 16.72 107.094 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -60.19 151.02 76.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 N-CA-C 110.148 -0.751 . . . . 14.27 110.148 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -151.31 163.66 38.4 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.807 -0.442 . . . . 17.82 109.807 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 p -141.09 150.89 43.49 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.725 -0.39 . . . . 15.94 111.065 171.118 56.042 85.814 88.08 104.83 2.086 103.701 85.812 -73.15 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.81 135.16 48.83 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.697 -0.853 . . . . 13.58 108.697 162.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.09 151.81 20.59 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 123.759 0.662 . . . . 14.03 111.984 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -89.98 88.87 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.278 -1.008 . . . . 19.01 108.278 173.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.98 178.76 40.13 Favored Glycine 0 C--O 1.238 0.365 0 N-CA-C 108.877 -1.689 . . . . 15.24 108.877 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.09 152.45 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.107 -1.442 . . . . 19.15 107.107 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.09 125.89 90.93 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 120.433 -0.507 . . . . 18.76 110.332 174.759 -58.53 -56.219 107.334 103.325 2.024 103.062 85.05 170.41 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.98 -172.77 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 120.863 1.042 . . . . 15.82 111.897 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 56.4 t-105 -67.04 -39.19 86.89 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.473 0.483 . . . . 17.37 109.77 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -133.9 132.99 40.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.035 -0.529 . . . . 21.44 111.114 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . 0.558 ' NE2' ' OE1' ' A' ' 66' ' ' GLU . 0.0 OUTLIER 55.15 -140.17 0.94 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 124.38 1.072 . . . . 22.09 110.358 -179.831 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.3 m -127.64 152.76 47.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.093 0.957 . . . . 17.25 110.945 -178.515 -73.15 85.812 88.08 103.701 2.086 104.83 85.814 56.042 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 p -96.65 151.68 19.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.602 -0.888 . . . . 16.71 108.602 168.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 51.01 57.86 6.19 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 122.471 1.129 . . . . 18.14 111.018 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . 0.558 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 4.1 tp10 -55.78 132.45 49.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.105 -1.861 . . . . 26.36 112.814 -175.485 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.4 mt -111.74 -38.12 4.96 Favored 'General case' 0 CA--C 1.514 -0.43 0 O-C-N 123.749 0.655 . . . . 14.62 109.871 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -157.36 138.41 13.48 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.416 -0.957 . . . . 19.19 108.416 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -135.13 146.29 48.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.154 0.909 . . . . 18.14 109.348 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 p -130.03 165.61 21.83 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.065 -0.717 . . . . 15.69 109.065 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 59.1 p30 -122.32 -154.18 0.58 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.424 -0.954 . . . . 18.88 108.424 170.021 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -69.99 -13.05 62.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.273 0.842 . . . . 24.56 113.273 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.5 mtm-85 -112.75 -39.17 4.36 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.31 1.967 . . . . 36.6 116.31 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -172.69 -179.14 2.06 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 121.096 -0.242 . . . . 16.76 110.488 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.95 139.8 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 123.985 0.803 . . . . 14.11 109.131 168.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.8 p -120.97 -19.16 7.32 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.804 0.298 . . . . 15.86 111.804 174.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -148.79 138.57 22.06 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.698 -0.401 . . . . 18.34 110.225 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.29 121.27 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.407 -1.331 . . . . 20.24 107.407 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -60.27 -48.19 82.78 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.089 0.243 . . . . 29.62 111.415 -171.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 p -159.33 176.48 12.1 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.727 -1.212 . . . . 19.3 107.727 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -16.91 64.02 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.132 -0.485 . . . . 22.02 112.246 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.524 1.305 . . . . 23.31 114.524 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -108.51 115.5 30.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.076 -0.713 . . . . 19.88 109.076 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -137.85 142.98 40.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.648 0.61 . . . . 32.76 112.648 -173.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.55 119.65 16.01 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.08 -1.452 . . . . 21.93 107.08 168.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -88.4 -29.01 20.56 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.773 0.657 . . . . 34.54 112.773 -172.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.37 -164.67 29.61 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 110.044 -1.222 . . . . 22.35 110.044 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -103.53 106.51 17.04 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.624 -0.339 . . . . 19.32 110.629 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.28 -23.11 34.42 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.05 0.452 . . . . 19.18 110.755 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -77.33 -6.64 53.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.348 0.499 . . . . 15.84 112.348 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -115.27 8.99 15.61 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.694 0.621 . . . . 29.69 111.213 173.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.86 11.85 83.39 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.508 -0.606 . . . . 15.49 114.008 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -96.62 103.74 15.67 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 107.339 -1.356 . . . . 16.96 107.339 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.43 35.52 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 122.324 1.059 . . . . 13.74 111.448 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -64.68 140.12 58.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.354 -1.294 . . . . 14.7 111.02 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.4 tp -104.27 137.25 42.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.364 . . . . 15.74 111.944 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 tp -107.68 135.81 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.66 -0.7 . . . . 22.73 110.28 164.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.2 mt -116.44 112.91 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.72 -1.585 . . . . 17.33 106.72 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -79.5 149.6 31.45 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 120.167 -0.613 . . . . 34.1 112.005 -172.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.4 t30 51.13 63.69 2.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.798 0.666 . . . . 26.02 112.798 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.13 149.06 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.351 -0.94 . . . . 19.82 112.636 -172.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 p -120.52 172.76 7.61 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 106.79 -1.559 . . . . 20.78 106.79 168.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 tp -51.35 -33.02 27.78 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.891 1.441 . . . . 22.05 114.891 173.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.0 -20.6 65.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.46 0.541 . . . . 26.43 112.46 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.55 -5.84 51.53 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.165 1.172 . . . . 20.36 114.165 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.22 152.62 44.47 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.304 -0.959 . . . . 31.91 112.687 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.12 -164.83 24.15 Favored Glycine 0 C--O 1.239 0.418 0 CA-C-N 116.141 -0.482 . . . . 17.71 113.409 172.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.4 m -86.35 135.28 33.58 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.972 0.909 . . . . 16.19 111.251 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -121.91 144.63 48.74 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 124.652 1.181 . . . . 14.98 109.372 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 16.1 t -118.27 124.04 46.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.744 -0.662 . . . . 15.81 110.443 -179.012 170.41 85.05 107.334 103.062 2.024 103.325 -56.219 -58.53 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 36.9 t -109.07 118.45 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.029 -1.1 . . . . 14.36 108.029 166.088 174.442 -148.756 -79.35 104.283 2.035 104.968 -170.604 -171.486 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -122.09 122.47 39.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.705 -0.48 . . . . 18.96 109.705 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 mt -106.42 114.86 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.868 -1.531 . . . . 17.84 106.868 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 563' ' ' HOH . 32.6 mt-30 -91.4 66.48 5.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.843 1.053 . . . . 24.83 113.843 -166.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -53.96 127.22 53.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.363 -0.835 . . . . 22.23 110.713 171.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.19 141.18 10.11 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.748 1.632 . . . . 24.35 114.607 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.82 153.22 17.69 Favored Glycine 0 N--CA 1.465 0.622 0 O-C-N 123.392 0.433 . . . . 26.66 113.382 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.57 132.84 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.216 -0.579 . . . . 27.72 110.789 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 69.6 mtp 52.7 30.63 9.08 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.872 1.804 . . . . 26.76 115.872 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -96.28 -11.84 25.35 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.573 -0.285 . . . . 30.26 111.701 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -56.18 138.38 50.13 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.71 0.633 . . . . 30.34 112.71 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 540' ' ' HOH . 46.3 tttt -95.29 115.98 28.16 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.443 -1.318 . . . . 29.16 107.443 172.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -114.59 122.67 47.22 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.021 -0.536 . . . . 31.92 111.144 -172.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.3 tp -123.17 130.34 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.84 -1.17 . . . . 19.72 107.84 -176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -118.27 136.12 53.88 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.445 0.466 . . . . 15.91 110.66 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.4 mt -130.89 146.4 52.3 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.77 -1.567 . . . . 17.81 106.77 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -95.61 131.44 41.83 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.286 0.366 . . . . 28.19 110.818 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.07 123.7 50.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.499 -0.926 . . . . 16.86 108.499 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -113.31 144.32 42.94 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.763 0.664 . . . . 26.55 111.552 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.99 123.71 66.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.745 -1.206 . . . . 23.0 107.745 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.3 pttt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 122.602 1.192 . . . . 28.6 112.168 -173.308 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . 0.468 ' O ' ' CE ' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' HOH . . . . . 0.42 ' O ' ' NE2' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ptp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.816 -0.438 . . . . 16.68 109.816 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -80.87 146.31 30.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.509 -0.876 . . . . 20.16 110.321 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.7 147.0 18.91 Favored Glycine 0 N--CA 1.471 0.968 0 CA-C-N 115.102 -0.954 . . . . 19.75 114.97 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -122.21 144.05 49.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.963 1.305 . . . . 19.5 109.477 -178.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -128.72 124.95 36.92 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 108.503 -0.925 . . . . 36.01 108.503 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.37 136.89 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 107.368 -1.345 . . . . 18.98 107.368 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . 0.789 ' HG2' ' HG2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -67.64 143.54 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 110.007 -0.368 . . . . 23.88 110.007 -179.302 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -53.14 135.27 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 107.984 -1.117 . . . . 20.76 107.984 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.42 -13.27 60.64 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.434 0.534 . . . . 21.65 114.434 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' HG2' ' A' ' 29' ' ' GLU . 69.2 mmtt -97.08 179.09 5.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.576 -0.849 . . . . 29.14 110.878 -178.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -102.3 126.5 49.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.948 0.351 . . . . 22.28 111.948 -176.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.19 133.1 34.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.004 -0.678 . . . . 18.5 109.797 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -113.77 116.8 29.95 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.78 -1.193 . . . . 16.7 107.78 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.5 mt -115.51 108.65 47.01 Favored Pre-proline 0 C--O 1.22 -0.457 0 N-CA-C 109.009 -0.738 . . . . 16.74 109.009 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.7 138.22 23.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 N-CA-C 114.497 0.922 . . . . 16.11 114.497 -175.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -158.07 130.94 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.29 -1.374 . . . . 16.55 107.29 173.426 -171.486 -170.604 -79.35 104.968 2.035 104.283 -148.756 174.442 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -147.34 169.23 19.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.933 0.716 . . . . 16.08 112.933 -176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 113' ' ' ILE . 37.8 p90 -154.71 160.94 41.68 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.761 -0.829 . . . . 18.35 108.761 179.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -79.18 112.87 16.82 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.294 -1.002 . . . . 25.73 108.294 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.97 114.17 65.26 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.204 -0.907 . . . . 29.37 109.887 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.17 151.46 16.92 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 122.86 2.373 . . . . 32.9 112.513 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 m -53.64 125.51 18.51 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.695 0.622 . . . . 35.11 109.86 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 p 51.04 37.05 16.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.776 0.831 . . . . 36.05 112.531 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.12 151.14 31.24 Favored Glycine 0 C--O 1.24 0.531 0 CA-C-N 115.665 -0.698 . . . . 32.28 112.568 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -68.43 138.68 55.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.237 -1.764 . . . . 27.78 106.237 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.36 144.55 57.02 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 121.163 -0.215 . . . . 21.73 111.058 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.86 128.29 42.14 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 107.094 -1.447 . . . . 16.72 107.094 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -60.19 151.02 76.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 N-CA-C 110.148 -0.751 . . . . 14.27 110.148 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -151.31 163.66 38.4 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.807 -0.442 . . . . 17.82 109.807 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 p -141.09 150.89 43.49 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.725 -0.39 . . . . 15.94 111.065 171.118 56.042 85.814 88.08 104.83 2.086 103.701 85.812 -73.15 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.81 135.16 48.83 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.697 -0.853 . . . . 13.58 108.697 162.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.09 151.81 20.59 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 123.759 0.662 . . . . 14.03 111.984 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -89.98 88.87 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.278 -1.008 . . . . 19.01 108.278 173.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.98 178.76 40.13 Favored Glycine 0 C--O 1.238 0.365 0 N-CA-C 108.877 -1.689 . . . . 15.24 108.877 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.09 152.45 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.107 -1.442 . . . . 19.15 107.107 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.09 125.89 90.93 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 120.433 -0.507 . . . . 18.76 110.332 174.759 -58.53 -56.219 107.334 103.325 2.024 103.062 85.05 170.41 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.98 -172.77 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 120.863 1.042 . . . . 15.82 111.897 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 56.4 t-105 -67.04 -39.19 86.89 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.473 0.483 . . . . 17.37 109.77 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -133.9 132.99 40.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.035 -0.529 . . . . 21.44 111.114 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 66' ' ' GLU . 1.5 tm0? 55.15 -140.17 0.94 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 124.38 1.072 . . . . 22.09 110.358 -179.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.3 m -127.64 152.76 47.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.093 0.957 . . . . 17.25 110.945 -178.515 -73.15 85.812 88.08 103.701 2.086 104.83 85.814 56.042 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 p -96.65 151.68 19.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.602 -0.888 . . . . 16.71 108.602 168.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 51.01 57.86 6.19 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 122.471 1.129 . . . . 18.14 111.018 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.1 tp10 -55.78 132.45 49.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.105 -1.861 . . . . 26.36 112.814 -175.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.4 mt -111.74 -38.12 4.96 Favored 'General case' 0 CA--C 1.514 -0.43 0 O-C-N 123.749 0.655 . . . . 14.62 109.871 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -157.36 138.41 13.48 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.416 -0.957 . . . . 19.19 108.416 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -135.13 146.29 48.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.154 0.909 . . . . 18.14 109.348 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 p -130.03 165.61 21.83 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.065 -0.717 . . . . 15.69 109.065 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 59.1 p30 -122.32 -154.18 0.58 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.424 -0.954 . . . . 18.88 108.424 170.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -69.99 -13.05 62.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.273 0.842 . . . . 24.56 113.273 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.5 mtm-85 -112.75 -39.17 4.36 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.31 1.967 . . . . 36.6 116.31 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -172.69 -179.14 2.06 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 121.096 -0.242 . . . . 16.76 110.488 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.95 139.8 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 123.985 0.803 . . . . 14.11 109.131 168.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.8 p -120.97 -19.16 7.32 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.804 0.298 . . . . 15.86 111.804 174.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -148.79 138.57 22.06 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.698 -0.401 . . . . 18.34 110.225 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.29 121.27 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.407 -1.331 . . . . 20.24 107.407 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -60.27 -48.19 82.78 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.089 0.243 . . . . 29.62 111.415 -171.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 p -159.33 176.48 12.1 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.727 -1.212 . . . . 19.3 107.727 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -16.91 64.02 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.132 -0.485 . . . . 22.02 112.246 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD2' ' O ' ' A' ' 99' ' ' LYS . 6.9 mtm180 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.524 1.305 . . . . 23.31 114.524 173.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -108.51 115.5 30.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.076 -0.713 . . . . 19.88 109.076 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -137.85 142.98 40.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.648 0.61 . . . . 32.76 112.648 -173.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.55 119.65 16.01 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.08 -1.452 . . . . 21.93 107.08 168.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -88.4 -29.01 20.56 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.773 0.657 . . . . 34.54 112.773 -172.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.37 -164.67 29.61 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 110.044 -1.222 . . . . 22.35 110.044 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -103.53 106.51 17.04 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.624 -0.339 . . . . 19.32 110.629 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.28 -23.11 34.42 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.05 0.452 . . . . 19.18 110.755 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -77.33 -6.64 53.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.348 0.499 . . . . 15.84 112.348 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -115.27 8.99 15.61 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.694 0.621 . . . . 29.69 111.213 173.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.86 11.85 83.39 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.508 -0.606 . . . . 15.49 114.008 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -96.62 103.74 15.67 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 107.339 -1.356 . . . . 16.96 107.339 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.43 35.52 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 122.324 1.059 . . . . 13.74 111.448 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -64.68 140.12 58.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.354 -1.294 . . . . 14.7 111.02 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.4 tp -104.27 137.25 42.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.364 . . . . 15.74 111.944 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 tp -107.68 135.81 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.66 -0.7 . . . . 22.73 110.28 164.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.2 mt -116.44 112.91 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.72 -1.585 . . . . 17.33 106.72 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.584 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 87.6 mttt -79.5 149.6 31.45 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 120.167 -0.613 . . . . 34.1 112.005 -172.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.4 t30 51.13 63.69 2.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.798 0.666 . . . . 26.02 112.798 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.13 149.06 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.351 -0.94 . . . . 19.82 112.636 -172.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 p -120.52 172.76 7.61 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 106.79 -1.559 . . . . 20.78 106.79 168.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 tp -51.35 -33.02 27.78 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.891 1.441 . . . . 22.05 114.891 173.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.0 -20.6 65.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.46 0.541 . . . . 26.43 112.46 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.55 -5.84 51.53 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.165 1.172 . . . . 20.36 114.165 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.22 152.62 44.47 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.304 -0.959 . . . . 31.91 112.687 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.12 -164.83 24.15 Favored Glycine 0 C--O 1.239 0.418 0 CA-C-N 116.141 -0.482 . . . . 17.71 113.409 172.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.4 m -86.35 135.28 33.58 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.972 0.909 . . . . 16.19 111.251 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -121.91 144.63 48.74 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 124.652 1.181 . . . . 14.98 109.372 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 16.1 t -118.27 124.04 46.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.744 -0.662 . . . . 15.81 110.443 -179.012 170.41 85.05 107.334 103.062 2.024 103.325 -56.219 -58.53 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 36.9 t -109.07 118.45 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.029 -1.1 . . . . 14.36 108.029 166.088 174.442 -148.756 -79.35 104.283 2.035 104.968 -170.604 -171.486 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -122.09 122.47 39.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.705 -0.48 . . . . 18.96 109.705 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 40' ' ' TYR . 14.4 mt -106.42 114.86 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.868 -1.531 . . . . 17.84 106.868 179.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -91.4 66.48 5.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.843 1.053 . . . . 24.83 113.843 -166.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -53.96 127.22 53.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.363 -0.835 . . . . 22.23 110.713 171.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.19 141.18 10.11 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.748 1.632 . . . . 24.35 114.607 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.82 153.22 17.69 Favored Glycine 0 N--CA 1.465 0.622 0 O-C-N 123.392 0.433 . . . . 26.66 113.382 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.57 132.84 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.216 -0.579 . . . . 27.72 110.789 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 69.6 mtp 52.7 30.63 9.08 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.872 1.804 . . . . 26.76 115.872 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -96.28 -11.84 25.35 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.573 -0.285 . . . . 30.26 111.701 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -56.18 138.38 50.13 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.71 0.633 . . . . 30.34 112.71 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . 0.932 ' HE2' ' O ' ' A' ' 540' ' ' HOH . 46.3 tttt -95.29 115.98 28.16 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.443 -1.318 . . . . 29.16 107.443 172.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -114.59 122.67 47.22 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.021 -0.536 . . . . 31.92 111.144 -172.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.3 tp -123.17 130.34 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.84 -1.17 . . . . 19.72 107.84 -176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -118.27 136.12 53.88 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.445 0.466 . . . . 15.91 110.66 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.4 mt -130.89 146.4 52.3 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.77 -1.567 . . . . 17.81 106.77 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -95.61 131.44 41.83 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.286 0.366 . . . . 28.19 110.818 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.07 123.7 50.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.499 -0.926 . . . . 16.86 108.499 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -113.31 144.32 42.94 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.763 0.664 . . . . 26.55 111.552 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.99 123.71 66.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.745 -1.206 . . . . 23.0 107.745 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.3 pttt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 122.602 1.192 . . . . 28.6 112.168 -173.308 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . 0.932 ' O ' ' HE2' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 586' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ptp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.816 -0.438 . . . . 16.68 109.816 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -80.87 146.31 30.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.509 -0.876 . . . . 20.16 110.321 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.7 147.0 18.91 Favored Glycine 0 N--CA 1.471 0.968 0 CA-C-N 115.102 -0.954 . . . . 19.75 114.97 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -122.21 144.05 49.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.963 1.305 . . . . 19.5 109.477 -178.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -128.72 124.95 36.92 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 108.503 -0.925 . . . . 36.01 108.503 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.37 136.89 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 107.368 -1.345 . . . . 18.98 107.368 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.789 ' HG2' ' HG2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -67.64 143.54 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 110.007 -0.368 . . . . 23.88 110.007 -179.302 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -53.14 135.27 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 107.984 -1.117 . . . . 20.76 107.984 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.42 -13.27 60.64 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.434 0.534 . . . . 21.65 114.434 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' HG2' ' A' ' 29' ' ' GLU . 69.2 mmtt -97.08 179.09 5.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.576 -0.849 . . . . 29.14 110.878 -178.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -102.3 126.5 49.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.948 0.351 . . . . 22.28 111.948 -176.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.19 133.1 34.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.004 -0.678 . . . . 18.5 109.797 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -113.77 116.8 29.95 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.78 -1.193 . . . . 16.7 107.78 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.5 mt -115.51 108.65 47.01 Favored Pre-proline 0 C--O 1.22 -0.457 0 N-CA-C 109.009 -0.738 . . . . 16.74 109.009 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.7 138.22 23.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 N-CA-C 114.497 0.922 . . . . 16.11 114.497 -175.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -158.07 130.94 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.29 -1.374 . . . . 16.55 107.29 173.426 -171.486 -170.604 -79.35 104.968 2.035 104.283 -148.756 174.442 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.3 p -147.34 169.23 19.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.933 0.716 . . . . 16.08 112.933 -176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 113' ' ' ILE . 37.8 p90 -154.71 160.94 41.68 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.761 -0.829 . . . . 18.35 108.761 179.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -79.18 112.87 16.82 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.294 -1.002 . . . . 25.73 108.294 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.97 114.17 65.26 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.204 -0.907 . . . . 29.37 109.887 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.17 151.46 16.92 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 122.86 2.373 . . . . 32.9 112.513 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 m -53.64 125.51 18.51 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.695 0.622 . . . . 35.11 109.86 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 p 51.04 37.05 16.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.776 0.831 . . . . 36.05 112.531 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.12 151.14 31.24 Favored Glycine 0 C--O 1.24 0.531 0 CA-C-N 115.665 -0.698 . . . . 32.28 112.568 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -68.43 138.68 55.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.237 -1.764 . . . . 27.78 106.237 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.36 144.55 57.02 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 121.163 -0.215 . . . . 21.73 111.058 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.86 128.29 42.14 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 107.094 -1.447 . . . . 16.72 107.094 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -60.19 151.02 76.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 N-CA-C 110.148 -0.751 . . . . 14.27 110.148 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -151.31 163.66 38.4 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.807 -0.442 . . . . 17.82 109.807 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 p -141.09 150.89 43.49 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.725 -0.39 . . . . 15.94 111.065 171.118 56.042 85.814 88.08 104.83 2.086 103.701 85.812 -73.15 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.81 135.16 48.83 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.697 -0.853 . . . . 13.58 108.697 162.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.09 151.81 20.59 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 123.759 0.662 . . . . 14.03 111.984 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -89.98 88.87 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.278 -1.008 . . . . 19.01 108.278 173.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.98 178.76 40.13 Favored Glycine 0 C--O 1.238 0.365 0 N-CA-C 108.877 -1.689 . . . . 15.24 108.877 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.09 152.45 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.107 -1.442 . . . . 19.15 107.107 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.09 125.89 90.93 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 120.433 -0.507 . . . . 18.76 110.332 174.759 -58.53 -56.219 107.334 103.325 2.024 103.062 85.05 170.41 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.98 -172.77 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 120.863 1.042 . . . . 15.82 111.897 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 56.4 t-105 -67.04 -39.19 86.89 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.473 0.483 . . . . 17.37 109.77 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -133.9 132.99 40.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.035 -0.529 . . . . 21.44 111.114 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' H ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 55.15 -140.17 0.94 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 124.38 1.072 . . . . 22.09 110.358 -179.831 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.449 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 64.3 m -127.64 152.76 47.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.093 0.957 . . . . 17.25 110.945 -178.515 -73.15 85.812 88.08 103.701 2.086 104.83 85.814 56.042 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 p -96.65 151.68 19.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.602 -0.888 . . . . 16.71 108.602 168.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 51.01 57.86 6.19 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 122.471 1.129 . . . . 18.14 111.018 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.78 132.45 49.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.105 -1.861 . . . . 26.36 112.814 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.4 mt -111.74 -38.12 4.96 Favored 'General case' 0 CA--C 1.514 -0.43 0 O-C-N 123.749 0.655 . . . . 14.62 109.871 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -157.36 138.41 13.48 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.416 -0.957 . . . . 19.19 108.416 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -135.13 146.29 48.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.154 0.909 . . . . 18.14 109.348 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 p -130.03 165.61 21.83 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.065 -0.717 . . . . 15.69 109.065 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 59.1 p30 -122.32 -154.18 0.58 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.424 -0.954 . . . . 18.88 108.424 170.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -69.99 -13.05 62.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.273 0.842 . . . . 24.56 113.273 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.5 mtm-85 -112.75 -39.17 4.36 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.31 1.967 . . . . 36.6 116.31 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -172.69 -179.14 2.06 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 121.096 -0.242 . . . . 16.76 110.488 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.95 139.8 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 123.985 0.803 . . . . 14.11 109.131 168.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.8 p -120.97 -19.16 7.32 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.804 0.298 . . . . 15.86 111.804 174.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -148.79 138.57 22.06 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.698 -0.401 . . . . 18.34 110.225 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.29 121.27 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.407 -1.331 . . . . 20.24 107.407 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -60.27 -48.19 82.78 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.089 0.243 . . . . 29.62 111.415 -171.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 p -159.33 176.48 12.1 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.727 -1.212 . . . . 19.3 107.727 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -16.91 64.02 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.132 -0.485 . . . . 22.02 112.246 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD2' ' O ' ' A' ' 99' ' ' LYS . 6.9 mtm180 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.524 1.305 . . . . 23.31 114.524 173.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -108.51 115.5 30.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.076 -0.713 . . . . 19.88 109.076 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -137.85 142.98 40.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.648 0.61 . . . . 32.76 112.648 -173.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.55 119.65 16.01 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.08 -1.452 . . . . 21.93 107.08 168.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -88.4 -29.01 20.56 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.773 0.657 . . . . 34.54 112.773 -172.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.37 -164.67 29.61 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 110.044 -1.222 . . . . 22.35 110.044 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -103.53 106.51 17.04 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.624 -0.339 . . . . 19.32 110.629 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.28 -23.11 34.42 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.05 0.452 . . . . 19.18 110.755 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -77.33 -6.64 53.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.348 0.499 . . . . 15.84 112.348 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -115.27 8.99 15.61 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.694 0.621 . . . . 29.69 111.213 173.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.86 11.85 83.39 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.508 -0.606 . . . . 15.49 114.008 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -96.62 103.74 15.67 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 107.339 -1.356 . . . . 16.96 107.339 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.43 35.52 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 122.324 1.059 . . . . 13.74 111.448 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -64.68 140.12 58.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.354 -1.294 . . . . 14.7 111.02 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.4 tp -104.27 137.25 42.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.364 . . . . 15.74 111.944 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 tp -107.68 135.81 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.66 -0.7 . . . . 22.73 110.28 164.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.2 mt -116.44 112.91 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.72 -1.585 . . . . 17.33 106.72 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.584 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 87.6 mttt -79.5 149.6 31.45 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 120.167 -0.613 . . . . 34.1 112.005 -172.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.4 t30 51.13 63.69 2.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.798 0.666 . . . . 26.02 112.798 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.13 149.06 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.351 -0.94 . . . . 19.82 112.636 -172.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 p -120.52 172.76 7.61 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 106.79 -1.559 . . . . 20.78 106.79 168.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 tp -51.35 -33.02 27.78 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.891 1.441 . . . . 22.05 114.891 173.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.0 -20.6 65.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.46 0.541 . . . . 26.43 112.46 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.55 -5.84 51.53 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 114.165 1.172 . . . . 20.36 114.165 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.22 152.62 44.47 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.304 -0.959 . . . . 31.91 112.687 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.12 -164.83 24.15 Favored Glycine 0 C--O 1.239 0.418 0 CA-C-N 116.141 -0.482 . . . . 17.71 113.409 172.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.4 m -86.35 135.28 33.58 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.972 0.909 . . . . 16.19 111.251 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -121.91 144.63 48.74 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 124.652 1.181 . . . . 14.98 109.372 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 16.1 t -118.27 124.04 46.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.744 -0.662 . . . . 15.81 110.443 -179.012 170.41 85.05 107.334 103.062 2.024 103.325 -56.219 -58.53 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 36.9 t -109.07 118.45 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.029 -1.1 . . . . 14.36 108.029 166.088 174.442 -148.756 -79.35 104.283 2.035 104.968 -170.604 -171.486 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -122.09 122.47 39.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.705 -0.48 . . . . 18.96 109.705 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 40' ' ' TYR . 14.4 mt -106.42 114.86 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.868 -1.531 . . . . 17.84 106.868 179.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 563' ' ' HOH . 32.6 mt-30 -91.4 66.48 5.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.843 1.053 . . . . 24.83 113.843 -166.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -53.96 127.22 53.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.363 -0.835 . . . . 22.23 110.713 171.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.19 141.18 10.11 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.748 1.632 . . . . 24.35 114.607 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.82 153.22 17.69 Favored Glycine 0 N--CA 1.465 0.622 0 O-C-N 123.392 0.433 . . . . 26.66 113.382 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.57 132.84 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.216 -0.579 . . . . 27.72 110.789 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 69.6 mtp 52.7 30.63 9.08 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.872 1.804 . . . . 26.76 115.872 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -96.28 -11.84 25.35 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.573 -0.285 . . . . 30.26 111.701 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -56.18 138.38 50.13 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.71 0.633 . . . . 30.34 112.71 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.932 ' HE2' ' O ' ' A' ' 540' ' ' HOH . 46.3 tttt -95.29 115.98 28.16 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.443 -1.318 . . . . 29.16 107.443 172.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -114.59 122.67 47.22 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.021 -0.536 . . . . 31.92 111.144 -172.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.3 tp -123.17 130.34 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.84 -1.17 . . . . 19.72 107.84 -176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -118.27 136.12 53.88 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.445 0.466 . . . . 15.91 110.66 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.4 mt -130.89 146.4 52.3 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.77 -1.567 . . . . 17.81 106.77 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -95.61 131.44 41.83 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.286 0.366 . . . . 28.19 110.818 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.07 123.7 50.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.499 -0.926 . . . . 16.86 108.499 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -113.31 144.32 42.94 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.763 0.664 . . . . 26.55 111.552 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.99 123.71 66.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.745 -1.206 . . . . 23.0 107.745 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.3 pttt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 122.602 1.192 . . . . 28.6 112.168 -173.308 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . 0.932 ' O ' ' HE2' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' HOH . . . . . 0.42 ' O ' ' NE2' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_