data_4he7_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 4he7 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.712 0 N-CA-C 113.529 0.937 . . . . 57.469999999999999 113.529 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.26 -11.81 42.51 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.864 0.69 . . . . 82.049999999999997 112.864 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 45.91 2.45 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.696 0.622 . . . . 71.329999999999998 110.486 -169.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' TYR . 21.9 m -68.72 -42.81 77.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 118.151 -1.42 . . . . 34.789999999999999 114.183 176.948 -80.063 -55.641 -79.484 109.496 2.027 106.65 153.282 -70.976 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -109.56 155.84 20.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.824 -1.534 . . . . 42.909999999999997 111.67 -172.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -167.77 124.9 1.15 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.98 -0.748 . . . . 105.02 108.98 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.19 146.41 5.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.29 1.218 . . . . 53.369999999999997 114.29 175.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.49 102.05 14.25 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 104.19 -2.522 . . . . 50.82 104.19 168.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 1.1 pm0 -79.33 142.99 35.58 Favored 'General case' 0 CA--C 1.481 -1.674 0 O-C-N 120.248 -1.533 . . . . 77.890000000000001 107.152 -166.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 63.38 27.17 15.22 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.463 1.653 . . . . 69.049999999999997 115.463 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -78.36 134.25 62.81 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 103.58 -2.748 . . . . 31.66 103.58 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.44 129.19 33.8 Favored 'Trans proline' 0 C--O 1.202 -1.288 0 N-CA-C 115.168 1.18 . . . . 30.260000000000002 115.168 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.64 -38.18 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.052 0 CA-C-N 114.982 -1.008 . . . . 31.16 113.102 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.0 p -59.67 -43.69 93.86 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 124.333 1.053 . . . . 29.59 110.349 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 15.4 mttm -66.8 -35.43 80.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.543 0.942 . . . . 46.93 113.543 174.335 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -35.46 65.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 114.274 1.212 . . . . 29.07 114.274 173.555 -123.448 -35.907 -95.542 109.257 2.038 104.746 -110.895 -65.647 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -73.43 -12.1 60.69 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 116.657 2.095 . . . . 37.170000000000002 116.657 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.8 146.29 30.07 Favored 'General case' 0 C--O 1.183 -2.419 0 CA-C-N 115.645 -0.707 . . . . 27.010000000000002 112.033 -171.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.3 48.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.94 0.896 . . . . 24.600000000000001 111.759 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 79.78 -17.34 0.59 Allowed 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 126.178 1.791 . . . . 27.219999999999999 114.956 165.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 15' ' ' LYS . 83.4 mm-40 -62.3 -60.39 3.64 Favored 'General case' 0 C--O 1.179 -2.609 0 N-CA-C 116.331 1.974 . . . . 37.189999999999998 116.331 -168.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.36 -42.69 82.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.227 1.011 . . . . 26.170000000000002 112.789 174.391 177.118 64.261 91.662 105.574 1.991 103.303 56.691 173.683 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -57.77 -58.16 9.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.984 0.897 . . . . 27.73 112.863 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -69.14 -32.68 72.2 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 115.01 -0.995 . . . . 45.740000000000002 113.423 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.32 -38.41 74.93 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 119.382 0.992 . . . . 32.810000000000002 109.969 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -58.23 -47.86 82.2 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.843 -0.799 . . . . 30.460000000000001 108.843 174.216 -83.033 -70.391 -79.479 109.8 2.003 104.551 -53.924 -54.263 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -65.26 -51.71 59.05 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 122.498 1.142 . . . . 39.780000000000001 113.238 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.2 -53.21 60.4 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 114.224 1.194 . . . . 45.530000000000001 114.224 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -85.92 -24.15 26.71 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 113.322 0.86 . . . . 41.619999999999997 113.322 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -123.55 -4.63 8.23 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.134 1.161 . . . . 46.299999999999997 114.134 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 64.16 16.8 10.27 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.417 1.266 . . . . 48.020000000000003 114.417 -177.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 168.64 18.01 Favored 'General case' 0 C--O 1.277 2.528 0 N-CA-C 108.603 -0.888 . . . . 34.539999999999999 108.603 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -78.91 -30.29 44.71 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.154 -1.385 . . . . 41.350000000000001 111.502 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.0 p -167.4 172.12 9.94 Favored 'General case' 0 C--O 1.21 -1.002 0 O-C-N 123.524 0.515 . . . . 26.030000000000001 111.157 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 161.12 30.5 Favored Glycine 0 CA--C 1.48 -2.15 0 O-C-N 123.283 0.364 . . . . 22.149999999999999 113.934 162.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -148.72 150.14 32.65 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 118.649 -0.691 . . . . 41.939999999999998 112.009 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.8 m -90.86 131.69 36.35 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 114.31 1.226 . . . . 31.420000000000002 114.31 172.02 -65.647 -110.895 -95.542 104.746 2.038 109.257 -35.907 -123.448 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.34 149.69 47.2 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.217 -1.771 . . . . 37.409999999999997 106.217 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -71.3 159.81 33.92 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 117.617 -1.633 . . . . 50.890000000000001 111.419 159.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -106.96 -174.38 2.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.357 -1.292 . . . . 36.439999999999998 107.853 166.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.82 -25.42 61.98 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.459 0.911 . . . . 52.640000000000001 113.459 -170.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -81.49 10.87 5.14 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.462 1.282 . . . . 63.990000000000002 114.462 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 60.28 39.36 19.09 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 116.321 1.971 . . . . 67.719999999999999 116.321 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -123.23 142.89 50.44 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 116.699 -2.0 . . . . 58.609999999999999 115.886 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.86 131.83 45.77 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 114.745 -1.116 . . . . 39.719999999999999 113.946 -173.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -132.55 150.14 52.2 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.637 -1.165 . . . . 40.060000000000002 112.338 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.0 t -91.24 116.77 29.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.752 1.221 . . . . 27.199999999999999 111.378 173.042 173.683 56.691 91.662 103.303 1.991 105.574 64.261 177.118 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mm -114.74 113.85 44.85 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 106.393 -1.706 . . . . 32.32 106.393 -171.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.02 148.6 27.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 107.813 -1.18 . . . . 31.43 107.813 178.767 -54.263 -53.924 -79.479 104.551 2.003 109.8 -70.391 -83.033 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -123.03 126.66 47.53 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.298 -0.864 . . . . 29.859999999999999 109.038 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' CYS . 93.4 m-85 -104.61 9.72 35.19 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 112.985 0.735 . . . . 42.270000000000003 112.985 -176.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -117.25 -35.29 4.08 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 118.456 0.571 . . . . 41.590000000000003 112.498 -178.318 -70.976 153.282 -79.484 106.65 2.027 109.496 -55.641 -80.063 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.07 147.38 52.44 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 122.252 1.025 . . . . 38.030000000000001 112.835 -172.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.482 -1.644 0 CA-C-N 112.916 -1.947 . . . . 46.549999999999997 107.066 -175.448 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.712 0 N-CA-C 113.529 0.937 . . . . 57.47 113.529 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.26 -11.81 42.51 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.864 0.69 . . . . 82.05 112.864 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 45.91 2.45 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.696 0.622 . . . . 71.33 110.486 -169.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 m -68.72 -42.81 77.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 118.151 -1.42 . . . . 34.79 114.183 176.948 -80.063 -55.641 -79.484 109.496 2.027 106.65 153.282 -70.976 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -109.56 155.84 20.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.824 -1.534 . . . . 42.91 111.67 -172.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -167.77 124.9 1.15 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.98 -0.748 . . . . 105.02 108.98 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 48' ' ' ILE . 48.8 t -56.19 146.41 5.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.29 1.218 . . . . 53.37 114.29 175.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.49 102.05 14.25 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 104.19 -2.522 . . . . 50.82 104.19 168.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.1 pm0 -79.33 142.99 35.58 Favored 'General case' 0 CA--C 1.481 -1.674 0 O-C-N 120.248 -1.533 . . . . 77.89 107.152 -166.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 63.38 27.17 15.22 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.463 1.653 . . . . 69.05 115.463 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -78.36 134.25 62.81 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 103.58 -2.748 . . . . 31.66 103.58 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.44 129.19 33.8 Favored 'Trans proline' 0 C--O 1.202 -1.288 0 N-CA-C 115.168 1.18 . . . . 30.26 115.168 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.64 -38.18 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.052 0 CA-C-N 114.982 -1.008 . . . . 31.16 113.102 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.0 p -59.67 -43.69 93.86 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 124.333 1.053 . . . . 29.59 110.349 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 15.4 mttm -66.8 -35.43 80.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.543 0.942 . . . . 46.93 113.543 174.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -35.46 65.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 114.274 1.212 . . . . 29.07 114.274 173.555 -123.448 -35.907 -95.542 109.257 2.038 104.746 -110.895 -65.647 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.43 -12.1 60.69 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 116.657 2.095 . . . . 37.17 116.657 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.8 146.29 30.07 Favored 'General case' 0 C--O 1.183 -2.419 0 CA-C-N 115.645 -0.707 . . . . 27.01 112.033 -171.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.3 48.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.94 0.896 . . . . 24.6 111.759 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 79.78 -17.34 0.59 Allowed 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 126.178 1.791 . . . . 27.22 114.956 165.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 15' ' ' LYS . 83.4 mm-40 -62.3 -60.39 3.64 Favored 'General case' 0 C--O 1.179 -2.609 0 N-CA-C 116.331 1.974 . . . . 37.19 116.331 -168.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.36 -42.69 82.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.227 1.011 . . . . 26.17 112.789 174.391 177.118 64.261 91.662 105.574 1.991 103.303 56.691 173.683 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -57.77 -58.16 9.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.984 0.897 . . . . 27.73 112.863 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -69.14 -32.68 72.2 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 115.01 -0.995 . . . . 45.74 113.423 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.32 -38.41 74.93 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 119.382 0.992 . . . . 32.81 109.969 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -58.23 -47.86 82.2 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.843 -0.799 . . . . 30.46 108.843 174.216 -83.033 -70.391 -79.479 109.8 2.003 104.551 -53.924 -54.263 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -65.26 -51.71 59.05 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 122.498 1.142 . . . . 39.78 113.238 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.2 -53.21 60.4 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 114.224 1.194 . . . . 45.53 114.224 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -85.92 -24.15 26.71 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 113.322 0.86 . . . . 41.62 113.322 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -123.55 -4.63 8.23 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.134 1.161 . . . . 46.3 114.134 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 64.16 16.8 10.27 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.417 1.266 . . . . 48.02 114.417 -177.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 168.64 18.01 Favored 'General case' 0 C--O 1.277 2.528 0 N-CA-C 108.603 -0.888 . . . . 34.54 108.603 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -78.91 -30.29 44.71 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.154 -1.385 . . . . 41.35 111.502 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.0 p -167.4 172.12 9.94 Favored 'General case' 0 C--O 1.21 -1.002 0 O-C-N 123.524 0.515 . . . . 26.03 111.157 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 161.12 30.5 Favored Glycine 0 CA--C 1.48 -2.15 0 O-C-N 123.283 0.364 . . . . 22.15 113.934 162.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -148.72 150.14 32.65 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 118.649 -0.691 . . . . 41.94 112.009 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.8 m -90.86 131.69 36.35 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 114.31 1.226 . . . . 31.42 114.31 172.02 -65.647 -110.895 -95.542 104.746 2.038 109.257 -35.907 -123.448 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.34 149.69 47.2 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.217 -1.771 . . . . 37.41 106.217 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -71.3 159.81 33.92 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 117.617 -1.633 . . . . 50.89 111.419 159.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -106.96 -174.38 2.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.357 -1.292 . . . . 36.44 107.853 166.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.82 -25.42 61.98 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.459 0.911 . . . . 52.64 113.459 -170.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -81.49 10.87 5.14 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.462 1.282 . . . . 63.99 114.462 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 60.28 39.36 19.09 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 116.321 1.971 . . . . 67.72 116.321 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -123.23 142.89 50.44 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 116.699 -2.0 . . . . 58.61 115.886 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.86 131.83 45.77 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 114.745 -1.116 . . . . 39.72 113.946 -173.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -132.55 150.14 52.2 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.637 -1.165 . . . . 40.06 112.338 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.0 t -91.24 116.77 29.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.752 1.221 . . . . 27.2 111.378 173.042 173.683 56.691 91.662 103.303 1.991 105.574 64.261 177.118 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD13 HG22 ' A' ' 7' ' ' VAL . 4.1 mm -114.74 113.85 44.85 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 106.393 -1.706 . . . . 32.32 106.393 -171.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.02 148.6 27.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 107.813 -1.18 . . . . 31.43 107.813 178.767 -54.263 -53.924 -79.479 104.551 2.003 109.8 -70.391 -83.033 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -123.03 126.66 47.53 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.298 -0.864 . . . . 29.86 109.038 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.61 9.72 35.19 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 112.985 0.735 . . . . 42.27 112.985 -176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -117.25 -35.29 4.08 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 118.456 0.571 . . . . 41.59 112.498 -178.318 -70.976 153.282 -79.484 106.65 2.027 109.496 -55.641 -80.063 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.07 147.38 52.44 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 122.252 1.025 . . . . 38.03 112.835 -172.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.482 -1.644 0 CA-C-N 112.916 -1.947 . . . . 46.55 107.066 -175.448 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.712 0 N-CA-C 113.529 0.937 . . . . 57.469999999999999 113.529 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.26 -11.81 42.51 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.864 0.69 . . . . 82.049999999999997 112.864 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 45.91 2.45 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.696 0.622 . . . . 71.329999999999998 110.486 -169.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 m -68.72 -42.81 77.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 118.151 -1.42 . . . . 34.789999999999999 114.183 176.948 -80.063 -55.641 -79.484 109.496 2.027 106.65 153.282 -70.976 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -109.56 155.84 20.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.824 -1.534 . . . . 42.909999999999997 111.67 -172.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -167.77 124.9 1.15 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.98 -0.748 . . . . 105.02 108.98 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 48' ' ' ILE . 48.8 t -56.19 146.41 5.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.29 1.218 . . . . 53.369999999999997 114.29 175.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.49 102.05 14.25 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 104.19 -2.522 . . . . 50.82 104.19 168.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.1 pm0 -79.33 142.99 35.58 Favored 'General case' 0 CA--C 1.481 -1.674 0 O-C-N 120.248 -1.533 . . . . 77.890000000000001 107.152 -166.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 63.38 27.17 15.22 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.463 1.653 . . . . 69.049999999999997 115.463 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -78.36 134.25 62.81 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 103.58 -2.748 . . . . 31.66 103.58 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.44 129.19 33.8 Favored 'Trans proline' 0 C--O 1.202 -1.288 0 N-CA-C 115.168 1.18 . . . . 30.260000000000002 115.168 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.64 -38.18 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.052 0 CA-C-N 114.982 -1.008 . . . . 31.16 113.102 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.0 p -59.67 -43.69 93.86 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 124.333 1.053 . . . . 29.59 110.349 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 15.4 mttm -66.8 -35.43 80.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.543 0.942 . . . . 46.93 113.543 174.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -35.46 65.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 114.274 1.212 . . . . 29.07 114.274 173.555 -123.448 -35.907 -95.542 109.257 2.038 104.746 -110.895 -65.647 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -73.43 -12.1 60.69 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 116.657 2.095 . . . . 37.170000000000002 116.657 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.8 146.29 30.07 Favored 'General case' 0 C--O 1.183 -2.419 0 CA-C-N 115.645 -0.707 . . . . 27.010000000000002 112.033 -171.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.3 48.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.94 0.896 . . . . 24.600000000000001 111.759 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 79.78 -17.34 0.59 Allowed 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 126.178 1.791 . . . . 27.219999999999999 114.956 165.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 15' ' ' LYS . 83.4 mm-40 -62.3 -60.39 3.64 Favored 'General case' 0 C--O 1.179 -2.609 0 N-CA-C 116.331 1.974 . . . . 37.189999999999998 116.331 -168.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.36 -42.69 82.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.227 1.011 . . . . 26.170000000000002 112.789 174.391 177.118 64.261 91.662 105.574 1.991 103.303 56.691 173.683 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -57.77 -58.16 9.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.984 0.897 . . . . 27.73 112.863 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -69.14 -32.68 72.2 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 115.01 -0.995 . . . . 45.740000000000002 113.423 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.32 -38.41 74.93 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 119.382 0.992 . . . . 32.810000000000002 109.969 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -58.23 -47.86 82.2 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.843 -0.799 . . . . 30.460000000000001 108.843 174.216 -83.033 -70.391 -79.479 109.8 2.003 104.551 -53.924 -54.263 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -65.26 -51.71 59.05 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 122.498 1.142 . . . . 39.780000000000001 113.238 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.2 -53.21 60.4 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 114.224 1.194 . . . . 45.530000000000001 114.224 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -85.92 -24.15 26.71 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 113.322 0.86 . . . . 41.619999999999997 113.322 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -123.55 -4.63 8.23 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.134 1.161 . . . . 46.299999999999997 114.134 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 64.16 16.8 10.27 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.417 1.266 . . . . 48.020000000000003 114.417 -177.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 168.64 18.01 Favored 'General case' 0 C--O 1.277 2.528 0 N-CA-C 108.603 -0.888 . . . . 34.539999999999999 108.603 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -78.91 -30.29 44.71 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.154 -1.385 . . . . 41.350000000000001 111.502 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.0 p -167.4 172.12 9.94 Favored 'General case' 0 C--O 1.21 -1.002 0 O-C-N 123.524 0.515 . . . . 26.030000000000001 111.157 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 161.12 30.5 Favored Glycine 0 CA--C 1.48 -2.15 0 O-C-N 123.283 0.364 . . . . 22.149999999999999 113.934 162.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -148.72 150.14 32.65 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 118.649 -0.691 . . . . 41.939999999999998 112.009 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.8 m -90.86 131.69 36.35 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 114.31 1.226 . . . . 31.420000000000002 114.31 172.02 -65.647 -110.895 -95.542 104.746 2.038 109.257 -35.907 -123.448 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.34 149.69 47.2 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.217 -1.771 . . . . 37.409999999999997 106.217 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -71.3 159.81 33.92 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 117.617 -1.633 . . . . 50.890000000000001 111.419 159.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -106.96 -174.38 2.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.357 -1.292 . . . . 36.439999999999998 107.853 166.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.82 -25.42 61.98 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.459 0.911 . . . . 52.640000000000001 113.459 -170.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -81.49 10.87 5.14 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.462 1.282 . . . . 63.990000000000002 114.462 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 60.28 39.36 19.09 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 116.321 1.971 . . . . 67.719999999999999 116.321 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -123.23 142.89 50.44 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 116.699 -2.0 . . . . 58.609999999999999 115.886 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.86 131.83 45.77 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 114.745 -1.116 . . . . 39.719999999999999 113.946 -173.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -132.55 150.14 52.2 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.637 -1.165 . . . . 40.060000000000002 112.338 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.0 t -91.24 116.77 29.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.752 1.221 . . . . 27.199999999999999 111.378 173.042 173.683 56.691 91.662 103.303 1.991 105.574 64.261 177.118 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD13 HG22 ' A' ' 7' ' ' VAL . 4.1 mm -114.74 113.85 44.85 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 106.393 -1.706 . . . . 32.32 106.393 -171.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.02 148.6 27.46 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 107.813 -1.18 . . . . 31.43 107.813 178.767 -54.263 -53.924 -79.479 104.551 2.003 109.8 -70.391 -83.033 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -123.03 126.66 47.53 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.298 -0.864 . . . . 29.859999999999999 109.038 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.61 9.72 35.19 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 112.985 0.735 . . . . 42.270000000000003 112.985 -176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -117.25 -35.29 4.08 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 118.456 0.571 . . . . 41.590000000000003 112.498 -178.318 -70.976 153.282 -79.484 106.65 2.027 109.496 -55.641 -80.063 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.07 147.38 52.44 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 122.252 1.025 . . . . 38.030000000000001 112.835 -172.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.482 -1.644 0 CA-C-N 112.916 -1.947 . . . . 46.549999999999997 107.066 -175.448 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_