data_3vym_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 3vym _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' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 115.177 1.547 . . . . 52.060000000000002 115.177 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -67.83 -44.84 76.29 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 115.243 1.572 . . . . 57.469999999999999 115.243 -167.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -22.65 52.99 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 115.467 -2.493 . . . . 56.159999999999997 109.591 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 tp -59.68 -46.16 89.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 120.166 -0.613 . . . . 38.619999999999997 110.4 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.72 99.7 Favored 'General case' 0 C--O 1.241 0.648 0 O-C-N 123.364 0.415 . . . . 36.399999999999999 111.661 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.2 82.48 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 118.808 -0.615 . . . . 63.539999999999999 112.512 172.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.05 -32.89 74.83 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 113.841 1.052 . . . . 44.990000000000002 113.841 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -88.47 6.44 37.7 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.447 -0.901 . . . . 43.859999999999999 112.603 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.84 75.54 Favored Glycine 0 C--O 1.262 1.875 0 N-CA-C 115.901 1.12 . . . . 33.439999999999998 115.901 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.75 -31.67 71.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.125 0.964 . . . . 33.270000000000003 112.867 -169.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -79.3 -7.84 58.61 Favored 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 115.316 -0.856 . . . . 46.710000000000001 111.074 -172.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.29 68.64 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.862 1.431 . . . . 36.439999999999998 114.862 162.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . 1.38 ' SG ' ' CAC' ' A' ' 101' ' ' HEC . 72.5 m -115.51 -3.76 12.34 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 116.985 2.217 . . . . 35.270000000000003 116.985 176.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -137.07 144.33 43.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 120.267 -1.521 . . . . 34.270000000000003 108.949 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -105.64 158.84 16.42 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.246 -1.39 . . . . 49.18 107.246 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.59 -45.44 91.88 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.487 0.921 . . . . 47.590000000000003 113.487 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -139.29 143.04 37.71 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.419 1.488 . . . . 68.010000000000005 108.754 -172.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 103.68 5.85 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 103.631 -2.729 . . . . 52.280000000000001 103.631 163.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.09 -49.65 40.76 Favored 'General case' 0 C--O 1.268 2.075 0 N-CA-C 115.143 1.534 . . . . 69.810000000000002 115.143 171.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -95.69 144.76 25.83 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.051 1.871 . . . . 49.289999999999999 116.051 -171.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.06 -23.75 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 116.498 2.036 . . . . 41.359999999999999 116.498 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.9 155.48 20.41 Favored Glycine 0 N--CA 1.514 3.836 0 N-CA-C 111.398 -0.681 . . . . 35.609999999999999 111.398 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -59.18 147.1 92.17 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 N-CA-C 116.287 1.61 . . . . 33.359999999999999 116.287 172.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.64 144.64 56.81 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.281 -2.489 . . . . 33.490000000000002 104.281 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.05 -31.07 64.8 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.675 1.361 . . . . 34.560000000000002 114.675 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.86 67.27 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 120.211 -1.556 . . . . 34.490000000000002 106.848 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.86 -34.44 51.74 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 119.493 -0.883 . . . . 43.810000000000002 109.409 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.26 -46.12 95.27 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 N-CA-C 109.054 -0.721 . . . . 33.090000000000003 109.054 172.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.76 95.06 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 109.808 -0.441 . . . . 35.990000000000002 109.808 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -63.16 -45.87 89.82 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.293 -0.963 . . . . 60.07 110.843 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -62.07 -34.78 76.91 Favored 'General case' 0 N--CA 1.434 -1.271 0 C-N-CA 118.534 -1.266 . . . . 45.740000000000002 111.585 -177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.53 -7.39 15.75 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.678 2.103 . . . . 39.920000000000002 116.678 -173.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.46 145.53 50.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 116.939 -1.904 . . . . 44.759999999999998 107.186 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.18 89.9 Favored Glycine 0 C--O 1.193 -2.413 0 CA-C-O 118.942 -0.921 . . . . 47.810000000000002 113.857 -174.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -110.3 139.36 45.56 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.108 1.454 . . . . 74.819999999999993 113.88 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.15 -31.81 66.31 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 117.915 2.561 . . . . 61.149999999999999 117.915 -157.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.66 14.91 26.34 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 116.047 1.869 . . . . 46.490000000000002 116.047 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -26.4 67.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.022 -1.444 . . . . 40.880000000000003 113.966 -170.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.44 -42.79 64.42 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 N-CA-C 107.466 -1.309 . . . . 40.189999999999998 107.466 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.33 -41.75 96.63 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.689 -0.804 . . . . 50.219999999999999 111.083 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.53 -51.69 64.37 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 116.59 -0.277 . . . . 35.340000000000003 110.351 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.28 -48.35 76.01 Favored 'General case' 0 C--O 1.207 -1.15 0 N-CA-C 116.266 1.95 . . . . 31.43 116.266 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.9 -44.8 40.53 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 122.083 0.944 . . . . 29.68 111.262 172.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.25 -40.99 94.96 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.297 -0.877 . . . . 31.91 113.785 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -64.89 -38.71 91.87 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 121.53 -0.983 . . . . 46.280000000000001 112.191 174.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.93 -46.08 85.81 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.923 0 N-CA-C 107.029 -1.471 . . . . 31.59 107.029 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 1.5 tttm -72.25 -47.95 46.38 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 119.19 0.905 . . . . 46.219999999999999 112.454 -174.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -93.23 -17.17 23.98 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 118.062 2.615 . . . . 51.960000000000001 118.062 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.42 179.53 43.78 Favored Glycine 0 CA--C 1.534 1.272 0 N-CA-C 108.482 -1.847 . . . . 30.539999999999999 108.482 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.05 172.8 41.16 Favored Glycine 0 CA--C 1.491 -1.442 0 N-CA-C 107.414 -2.275 . . . . 31.329999999999998 107.414 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.9 p -159.57 156.77 28.64 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 124.102 0.961 . . . . 37.409999999999997 108.73 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.82 -11.21 64.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 114.466 -1.243 . . . . 38.409999999999997 112.553 164.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.3 t -77.13 -41.75 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.343 -1.343 . . . . 39.850000000000001 109.604 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -110.32 -8.44 14.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.927 0.87 . . . . 39.390000000000001 110.959 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.33 -169.49 38.43 Favored Glycine 0 CA--C 1.496 -1.132 0 C-N-CA 117.064 -2.494 . . . . 41.579999999999998 108.963 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -94.17 -33.06 13.45 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.553 0.796 . . . . 43.460000000000001 109.159 -171.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.74 131.87 95.27 Favored Pre-proline 0 CA--C 1.561 1.396 0 N-CA-C 106.703 -1.591 . . . . 40.729999999999997 106.703 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -90.37 159.34 4.55 Favored 'Trans proline' 0 CA--C 1.49 -1.678 0 C-N-CA 115.971 -2.22 . . . . 37.560000000000002 113.522 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 32.6 ttp -93.37 127.94 44.57 Favored Pre-proline 0 N--CA 1.435 -1.181 0 N-CA-C 106.942 -1.503 . . . . 32.149999999999999 106.942 166.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.92 158.79 54.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 CA-C-O 118.532 -0.695 . . . . 29.890000000000001 110.647 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -53.1 146.5 38.06 Favored 'Trans proline' 0 C--N 1.353 0.802 0 N-CA-C 105.857 -2.401 . . . . 32.590000000000003 105.857 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -121.69 147.66 45.6 Favored 'General case' 0 CA--C 1.478 -1.805 0 N-CA-C 105.381 -2.081 . . . . 32.469999999999999 105.381 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -83.48 71.19 10.32 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.629 -1.169 . . . . 46.280000000000001 110.629 -171.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 m -126.83 155.41 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.865 0 N-CA-C 107.711 -1.218 . . . . 36.829999999999998 107.711 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -80.13 168.94 18.5 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.196 -1.402 . . . . 39.880000000000003 107.659 175.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' CE ' ' A' ' 47' ' ' LYS . 85.9 m-20 -58.01 -39.29 77.96 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.974 -0.69 . . . . 48.219999999999999 112.523 176.27 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.74 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.945 1.698 . . . . 38.899999999999999 109.506 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.61 -39.64 91.75 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.448 0.467 . . . . 44.93 111.321 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.19 94.25 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.681 -1.229 . . . . 33.229999999999997 107.681 -179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.75 -45.57 82.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 119.211 -0.423 . . . . 49.130000000000003 109.886 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -62.74 -43.21 99.39 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.592 0.59 . . . . 59.920000000000002 112.592 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.14 -45.43 94.69 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 119.52 -0.872 . . . . 31.440000000000001 111.027 175.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.29 80.97 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.291 0.95 . . . . 29.370000000000001 110.719 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.33 -41.91 88.95 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.305 0.574 . . . . 42.409999999999997 110.927 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -58.26 -46.91 85.12 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.859 0.837 . . . . 37.409999999999997 110.476 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.5 -41.31 85.83 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 106.861 -1.533 . . . . 30.59 106.861 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.41 -20.27 66.04 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.154 1.909 . . . . 37.899999999999999 116.154 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -84.08 -3.75 58.29 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 115.532 1.678 . . . . 46.020000000000003 115.532 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.73 127.96 27.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 122.491 1.139 . . . . 53.5 113.431 -174.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp . . . . . 0 C--O 1.262 1.745 0 CA-C-N 111.52 -2.582 . . . . 61.789999999999999 112.02 177.119 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HEC . . . . . 1.38 ' CAC' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 115.177 1.547 . . . . 52.060000000000002 115.177 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -67.83 -44.84 76.29 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 115.243 1.572 . . . . 57.469999999999999 115.243 -167.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -22.65 52.99 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 115.467 -2.493 . . . . 56.159999999999997 109.591 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 tp -59.68 -46.16 89.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 120.166 -0.613 . . . . 38.619999999999997 110.4 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.72 99.7 Favored 'General case' 0 C--O 1.241 0.648 0 O-C-N 123.364 0.415 . . . . 36.399999999999999 111.661 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.2 82.48 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 118.808 -0.615 . . . . 63.539999999999999 112.512 172.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.05 -32.89 74.83 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 113.841 1.052 . . . . 44.990000000000002 113.841 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -88.47 6.44 37.7 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.447 -0.901 . . . . 43.859999999999999 112.603 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.84 75.54 Favored Glycine 0 C--O 1.262 1.875 0 N-CA-C 115.901 1.12 . . . . 33.439999999999998 115.901 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.75 -31.67 71.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.125 0.964 . . . . 33.270000000000003 112.867 -169.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -79.3 -7.84 58.61 Favored 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 115.316 -0.856 . . . . 46.710000000000001 111.074 -172.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.29 68.64 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.862 1.431 . . . . 36.439999999999998 114.862 162.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . 1.38 ' SG ' ' CAC' ' A' ' 101' ' ' HEC . 72.5 m -115.51 -3.76 12.34 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 116.985 2.217 . . . . 35.270000000000003 116.985 176.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -137.07 144.33 43.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 120.267 -1.521 . . . . 34.270000000000003 108.949 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -105.64 158.84 16.42 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.246 -1.39 . . . . 49.18 107.246 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.59 -45.44 91.88 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.487 0.921 . . . . 47.590000000000003 113.487 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 4.9 mtpt -139.29 143.04 37.71 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.419 1.488 . . . . 68.010000000000005 108.754 -172.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 103.68 5.85 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 103.631 -2.729 . . . . 52.280000000000001 103.631 163.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.09 -49.65 40.76 Favored 'General case' 0 C--O 1.268 2.075 0 N-CA-C 115.143 1.534 . . . . 69.810000000000002 115.143 171.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -95.69 144.76 25.83 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.051 1.871 . . . . 49.289999999999999 116.051 -171.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.06 -23.75 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 116.498 2.036 . . . . 41.359999999999999 116.498 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.9 155.48 20.41 Favored Glycine 0 N--CA 1.514 3.836 0 N-CA-C 111.398 -0.681 . . . . 35.609999999999999 111.398 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -59.18 147.1 92.17 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 N-CA-C 116.287 1.61 . . . . 33.359999999999999 116.287 172.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.64 144.64 56.81 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.281 -2.489 . . . . 33.490000000000002 104.281 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.05 -31.07 64.8 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.675 1.361 . . . . 34.560000000000002 114.675 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.86 67.27 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 120.211 -1.556 . . . . 34.490000000000002 106.848 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.86 -34.44 51.74 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 119.493 -0.883 . . . . 43.810000000000002 109.409 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.26 -46.12 95.27 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 N-CA-C 109.054 -0.721 . . . . 33.090000000000003 109.054 172.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.76 95.06 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 109.808 -0.441 . . . . 35.990000000000002 109.808 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -63.16 -45.87 89.82 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.293 -0.963 . . . . 60.07 110.843 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -62.07 -34.78 76.91 Favored 'General case' 0 N--CA 1.434 -1.271 0 C-N-CA 118.534 -1.266 . . . . 45.740000000000002 111.585 -177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.53 -7.39 15.75 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.678 2.103 . . . . 39.920000000000002 116.678 -173.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.46 145.53 50.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 116.939 -1.904 . . . . 44.759999999999998 107.186 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.18 89.9 Favored Glycine 0 C--O 1.193 -2.413 0 CA-C-O 118.942 -0.921 . . . . 47.810000000000002 113.857 -174.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -110.3 139.36 45.56 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.108 1.454 . . . . 74.819999999999993 113.88 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.15 -31.81 66.31 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 117.915 2.561 . . . . 61.149999999999999 117.915 -157.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.66 14.91 26.34 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 116.047 1.869 . . . . 46.490000000000002 116.047 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -26.4 67.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.022 -1.444 . . . . 40.880000000000003 113.966 -170.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.44 -42.79 64.42 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 N-CA-C 107.466 -1.309 . . . . 40.189999999999998 107.466 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.33 -41.75 96.63 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.689 -0.804 . . . . 50.219999999999999 111.083 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.53 -51.69 64.37 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 116.59 -0.277 . . . . 35.340000000000003 110.351 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.28 -48.35 76.01 Favored 'General case' 0 C--O 1.207 -1.15 0 N-CA-C 116.266 1.95 . . . . 31.43 116.266 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.9 -44.8 40.53 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 122.083 0.944 . . . . 29.68 111.262 172.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.25 -40.99 94.96 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.297 -0.877 . . . . 31.91 113.785 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.649 ' HE3' ' O ' ' A' ' 227' ' ' HOH . 42.5 mmtm -64.89 -38.71 91.87 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 121.53 -0.983 . . . . 46.280000000000001 112.191 174.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.93 -46.08 85.81 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.923 0 N-CA-C 107.029 -1.471 . . . . 31.59 107.029 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 0.848 ' HE2' ' OD1' ' A' ' 66' ' ' ASP . 1.5 tttm -72.25 -47.95 46.38 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 119.19 0.905 . . . . 46.219999999999999 112.454 -174.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -93.23 -17.17 23.98 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 118.062 2.615 . . . . 51.960000000000001 118.062 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.42 179.53 43.78 Favored Glycine 0 CA--C 1.534 1.272 0 N-CA-C 108.482 -1.847 . . . . 30.539999999999999 108.482 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.05 172.8 41.16 Favored Glycine 0 CA--C 1.491 -1.442 0 N-CA-C 107.414 -2.275 . . . . 31.329999999999998 107.414 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 58' ' ' PRO . 55.9 p -159.57 156.77 28.64 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 124.102 0.961 . . . . 37.409999999999997 108.73 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.82 -11.21 64.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 114.466 -1.243 . . . . 38.409999999999997 112.553 164.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.3 t -77.13 -41.75 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.343 -1.343 . . . . 39.850000000000001 109.604 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -110.32 -8.44 14.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.927 0.87 . . . . 39.390000000000001 110.959 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.33 -169.49 38.43 Favored Glycine 0 CA--C 1.496 -1.132 0 C-N-CA 117.064 -2.494 . . . . 41.579999999999998 108.963 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -94.17 -33.06 13.45 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.553 0.796 . . . . 43.460000000000001 109.159 -171.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.74 131.87 95.27 Favored Pre-proline 0 CA--C 1.561 1.396 0 N-CA-C 106.703 -1.591 . . . . 40.729999999999997 106.703 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HB3' ' HB3' ' A' ' 51' ' ' SER . 6.0 Cg_endo -90.37 159.34 4.55 Favored 'Trans proline' 0 CA--C 1.49 -1.678 0 C-N-CA 115.971 -2.22 . . . . 37.560000000000002 113.522 -179.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 32.6 ttp -93.37 127.94 44.57 Favored Pre-proline 0 N--CA 1.435 -1.181 0 N-CA-C 106.942 -1.503 . . . . 32.149999999999999 106.942 166.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.92 158.79 54.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 CA-C-O 118.532 -0.695 . . . . 29.890000000000001 110.647 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -53.1 146.5 38.06 Favored 'Trans proline' 0 C--N 1.353 0.802 0 N-CA-C 105.857 -2.401 . . . . 32.590000000000003 105.857 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -121.69 147.66 45.6 Favored 'General case' 0 CA--C 1.478 -1.805 0 N-CA-C 105.381 -2.081 . . . . 32.469999999999999 105.381 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -83.48 71.19 10.32 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.629 -1.169 . . . . 46.280000000000001 110.629 -171.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 m -126.83 155.41 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.865 0 N-CA-C 107.711 -1.218 . . . . 36.829999999999998 107.711 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -80.13 168.94 18.5 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.196 -1.402 . . . . 39.880000000000003 107.659 175.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.848 ' OD1' ' HE2' ' A' ' 47' ' ' LYS . 85.9 m-20 -58.01 -39.29 77.96 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.974 -0.69 . . . . 48.219999999999999 112.523 176.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.74 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.945 1.698 . . . . 38.899999999999999 109.506 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.61 -39.64 91.75 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.448 0.467 . . . . 44.93 111.321 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.19 94.25 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.681 -1.229 . . . . 33.229999999999997 107.681 -179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.75 -45.57 82.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 119.211 -0.423 . . . . 49.130000000000003 109.886 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -62.74 -43.21 99.39 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.592 0.59 . . . . 59.920000000000002 112.592 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.14 -45.43 94.69 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 119.52 -0.872 . . . . 31.440000000000001 111.027 175.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.29 80.97 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.291 0.95 . . . . 29.370000000000001 110.719 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.33 -41.91 88.95 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.305 0.574 . . . . 42.409999999999997 110.927 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -58.26 -46.91 85.12 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.859 0.837 . . . . 37.409999999999997 110.476 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.5 -41.31 85.83 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 106.861 -1.533 . . . . 30.59 106.861 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.41 -20.27 66.04 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.154 1.909 . . . . 37.899999999999999 116.154 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -84.08 -3.75 58.29 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 115.532 1.678 . . . . 46.020000000000003 115.532 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.73 127.96 27.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 122.491 1.139 . . . . 53.5 113.431 -174.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 80' ' ' LYS . 18.6 mmtp . . . . . 0 C--O 1.262 1.745 0 CA-C-N 111.52 -2.582 . . . . 61.789999999999999 112.02 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HEC . . . . . 1.38 ' CAC' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . 0.649 ' O ' ' HE3' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 115.177 1.547 . . . . 52.060000000000002 115.177 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -67.83 -44.84 76.29 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 115.243 1.572 . . . . 57.469999999999999 115.243 -167.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -22.65 52.99 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 115.467 -2.493 . . . . 56.159999999999997 109.591 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 tp -59.68 -46.16 89.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 120.166 -0.613 . . . . 38.619999999999997 110.4 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.72 99.7 Favored 'General case' 0 C--O 1.241 0.648 0 O-C-N 123.364 0.415 . . . . 36.399999999999999 111.661 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.2 82.48 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 118.808 -0.615 . . . . 63.539999999999999 112.512 172.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.05 -32.89 74.83 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 113.841 1.052 . . . . 44.990000000000002 113.841 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -88.47 6.44 37.7 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.447 -0.901 . . . . 43.859999999999999 112.603 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.84 75.54 Favored Glycine 0 C--O 1.262 1.875 0 N-CA-C 115.901 1.12 . . . . 33.439999999999998 115.901 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.75 -31.67 71.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.125 0.964 . . . . 33.270000000000003 112.867 -169.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -79.3 -7.84 58.61 Favored 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 115.316 -0.856 . . . . 46.710000000000001 111.074 -172.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.29 68.64 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.862 1.431 . . . . 36.439999999999998 114.862 162.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.38 ' SG ' ' CAC' ' A' ' 101' ' ' HEC . 72.5 m -115.51 -3.76 12.34 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 116.985 2.217 . . . . 35.270000000000003 116.985 176.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -137.07 144.33 43.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 120.267 -1.521 . . . . 34.270000000000003 108.949 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -105.64 158.84 16.42 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.246 -1.39 . . . . 49.18 107.246 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.59 -45.44 91.88 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.487 0.921 . . . . 47.590000000000003 113.487 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 4.9 mtpt -139.29 143.04 37.71 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.419 1.488 . . . . 68.010000000000005 108.754 -172.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 103.68 5.85 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 103.631 -2.729 . . . . 52.280000000000001 103.631 163.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.09 -49.65 40.76 Favored 'General case' 0 C--O 1.268 2.075 0 N-CA-C 115.143 1.534 . . . . 69.810000000000002 115.143 171.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -95.69 144.76 25.83 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.051 1.871 . . . . 49.289999999999999 116.051 -171.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.06 -23.75 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 116.498 2.036 . . . . 41.359999999999999 116.498 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.9 155.48 20.41 Favored Glycine 0 N--CA 1.514 3.836 0 N-CA-C 111.398 -0.681 . . . . 35.609999999999999 111.398 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -59.18 147.1 92.17 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 N-CA-C 116.287 1.61 . . . . 33.359999999999999 116.287 172.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.64 144.64 56.81 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.281 -2.489 . . . . 33.490000000000002 104.281 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.05 -31.07 64.8 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.675 1.361 . . . . 34.560000000000002 114.675 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.86 67.27 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 120.211 -1.556 . . . . 34.490000000000002 106.848 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.86 -34.44 51.74 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 119.493 -0.883 . . . . 43.810000000000002 109.409 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.26 -46.12 95.27 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 N-CA-C 109.054 -0.721 . . . . 33.090000000000003 109.054 172.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.76 95.06 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 109.808 -0.441 . . . . 35.990000000000002 109.808 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -63.16 -45.87 89.82 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.293 -0.963 . . . . 60.07 110.843 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -62.07 -34.78 76.91 Favored 'General case' 0 N--CA 1.434 -1.271 0 C-N-CA 118.534 -1.266 . . . . 45.740000000000002 111.585 -177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.53 -7.39 15.75 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.678 2.103 . . . . 39.920000000000002 116.678 -173.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.46 145.53 50.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 116.939 -1.904 . . . . 44.759999999999998 107.186 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.18 89.9 Favored Glycine 0 C--O 1.193 -2.413 0 CA-C-O 118.942 -0.921 . . . . 47.810000000000002 113.857 -174.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -110.3 139.36 45.56 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.108 1.454 . . . . 74.819999999999993 113.88 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.15 -31.81 66.31 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 117.915 2.561 . . . . 61.149999999999999 117.915 -157.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.66 14.91 26.34 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 116.047 1.869 . . . . 46.490000000000002 116.047 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -26.4 67.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.022 -1.444 . . . . 40.880000000000003 113.966 -170.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.44 -42.79 64.42 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 N-CA-C 107.466 -1.309 . . . . 40.189999999999998 107.466 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.33 -41.75 96.63 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.689 -0.804 . . . . 50.219999999999999 111.083 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.53 -51.69 64.37 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 116.59 -0.277 . . . . 35.340000000000003 110.351 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.28 -48.35 76.01 Favored 'General case' 0 C--O 1.207 -1.15 0 N-CA-C 116.266 1.95 . . . . 31.43 116.266 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.9 -44.8 40.53 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 122.083 0.944 . . . . 29.68 111.262 172.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.25 -40.99 94.96 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.297 -0.877 . . . . 31.91 113.785 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.649 ' HE3' ' O ' ' A' ' 227' ' ' HOH . 42.5 mmtm -64.89 -38.71 91.87 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 121.53 -0.983 . . . . 46.280000000000001 112.191 174.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.93 -46.08 85.81 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.923 0 N-CA-C 107.029 -1.471 . . . . 31.59 107.029 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.848 ' HE2' ' OD1' ' A' ' 66' ' ' ASP . 1.5 tttm -72.25 -47.95 46.38 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 119.19 0.905 . . . . 46.219999999999999 112.454 -174.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -93.23 -17.17 23.98 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 118.062 2.615 . . . . 51.960000000000001 118.062 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.42 179.53 43.78 Favored Glycine 0 CA--C 1.534 1.272 0 N-CA-C 108.482 -1.847 . . . . 30.539999999999999 108.482 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.05 172.8 41.16 Favored Glycine 0 CA--C 1.491 -1.442 0 N-CA-C 107.414 -2.275 . . . . 31.329999999999998 107.414 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 58' ' ' PRO . 55.9 p -159.57 156.77 28.64 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 124.102 0.961 . . . . 37.409999999999997 108.73 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.82 -11.21 64.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 114.466 -1.243 . . . . 38.409999999999997 112.553 164.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.3 t -77.13 -41.75 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.343 -1.343 . . . . 39.850000000000001 109.604 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -110.32 -8.44 14.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.927 0.87 . . . . 39.390000000000001 110.959 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.33 -169.49 38.43 Favored Glycine 0 CA--C 1.496 -1.132 0 C-N-CA 117.064 -2.494 . . . . 41.579999999999998 108.963 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -94.17 -33.06 13.45 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.553 0.796 . . . . 43.460000000000001 109.159 -171.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.74 131.87 95.27 Favored Pre-proline 0 CA--C 1.561 1.396 0 N-CA-C 106.703 -1.591 . . . . 40.729999999999997 106.703 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HB3' ' HB3' ' A' ' 51' ' ' SER . 6.0 Cg_endo -90.37 159.34 4.55 Favored 'Trans proline' 0 CA--C 1.49 -1.678 0 C-N-CA 115.971 -2.22 . . . . 37.560000000000002 113.522 -179.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 32.6 ttp -93.37 127.94 44.57 Favored Pre-proline 0 N--CA 1.435 -1.181 0 N-CA-C 106.942 -1.503 . . . . 32.149999999999999 106.942 166.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.92 158.79 54.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 CA-C-O 118.532 -0.695 . . . . 29.890000000000001 110.647 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -53.1 146.5 38.06 Favored 'Trans proline' 0 C--N 1.353 0.802 0 N-CA-C 105.857 -2.401 . . . . 32.590000000000003 105.857 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -121.69 147.66 45.6 Favored 'General case' 0 CA--C 1.478 -1.805 0 N-CA-C 105.381 -2.081 . . . . 32.469999999999999 105.381 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -83.48 71.19 10.32 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.629 -1.169 . . . . 46.280000000000001 110.629 -171.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 m -126.83 155.41 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.865 0 N-CA-C 107.711 -1.218 . . . . 36.829999999999998 107.711 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -80.13 168.94 18.5 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.196 -1.402 . . . . 39.880000000000003 107.659 175.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.848 ' OD1' ' HE2' ' A' ' 47' ' ' LYS . 85.9 m-20 -58.01 -39.29 77.96 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.974 -0.69 . . . . 48.219999999999999 112.523 176.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.74 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.945 1.698 . . . . 38.899999999999999 109.506 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.61 -39.64 91.75 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.448 0.467 . . . . 44.93 111.321 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.19 94.25 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.681 -1.229 . . . . 33.229999999999997 107.681 -179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.75 -45.57 82.08 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 119.211 -0.423 . . . . 49.130000000000003 109.886 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -62.74 -43.21 99.39 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.592 0.59 . . . . 59.920000000000002 112.592 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.14 -45.43 94.69 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 119.52 -0.872 . . . . 31.440000000000001 111.027 175.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.29 80.97 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.291 0.95 . . . . 29.370000000000001 110.719 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.33 -41.91 88.95 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.305 0.574 . . . . 42.409999999999997 110.927 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -58.26 -46.91 85.12 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.859 0.837 . . . . 37.409999999999997 110.476 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.5 -41.31 85.83 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 106.861 -1.533 . . . . 30.59 106.861 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.41 -20.27 66.04 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.154 1.909 . . . . 37.899999999999999 116.154 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -84.08 -3.75 58.29 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 115.532 1.678 . . . . 46.020000000000003 115.532 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 mt -65.73 127.96 27.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 122.491 1.139 . . . . 53.5 113.431 -174.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 80' ' ' LYS . 18.6 mmtp . . . . . 0 C--O 1.262 1.745 0 CA-C-N 111.52 -2.582 . . . . 61.789999999999999 112.02 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.38 ' CAC' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . 0.649 ' O ' ' HE3' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_