data_4dmd_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 4dmd _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 63.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . 0.93 ' NH2' ' OE2' ' B' ' 6' ' ' GLU . 2.1 ttt85 -65.51 -31.49 72.59 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 117.298 2.333 . . . . 64.02 117.298 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.7 tpp -67.8 -46.43 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.638 -0.505 . . . . 60.77 109.638 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -65.05 -28.85 69.76 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 114.283 1.216 . . . . 38.77 114.283 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -77.48 -33.48 54.51 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 122.577 1.18 . . . . 78.38 110.417 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.26 -45.82 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.484 -1.234 . . . . 19.57 111.163 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.921 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 96.3 mt-10 -56.21 -46.97 79.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 118.705 -0.664 . . . . 30.02 111.287 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -59.49 -42.85 93.08 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.532 2.049 . . . . 28.45 116.532 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -65.7 -37.79 87.43 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.283 1.216 . . . . 23.53 114.283 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.99 -54.5 23.36 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.769 0 CA-C-O 121.906 0.86 . . . . 21.58 112.398 171.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.42 -38.29 77.11 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 123.827 0.851 . . . . 41.34 111.842 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -64.93 -46.81 80.06 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 125.473 1.509 . . . . 59.49 113.713 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -68.88 -35.16 76.56 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.63 0.729 . . . . 18.18 110.644 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 113.219 0.822 . . . . 25.39 113.219 175.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -62.77 -42.56 99.75 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.552 1.316 . . . . 51.51 114.552 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -54.04 -43.74 70.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.764 -1.21 . . . . 39.71 114.191 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.32 -44.04 96.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.577 -0.702 . . . . 24.17 112.361 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -59.13 -41.7 88.86 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.823 -0.548 . . . . 30.26 111.24 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.39 -48.71 79.77 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 115.694 1.739 . . . . 29.32 115.694 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.17 -35.27 80.25 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-O 122.273 1.035 . . . . 25.3 112.101 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -64.03 -38.38 90.88 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 116.65 2.092 . . . . 98.5 116.65 171.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.24 -39.16 91.9 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.646 -0.659 . . . . 33.04 112.728 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.96 -43.86 97.64 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.509 2.04 . . . . 51.57 116.509 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 79.9 t -55.13 -46.33 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 122.642 0.377 . . . . 24.24 110.514 175.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.94 85.99 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 124.677 1.191 . . . . 31.35 109.635 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -66.92 -47.96 70.12 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 112.566 0.58 . . . . 31.44 112.566 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -70.79 -25.9 63.09 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.86 0.838 . . . . 29.47 110.449 -176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 94.0 mttt -72.81 -35.27 67.29 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.782 -0.644 . . . . 43.55 110.315 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -60.42 -47.57 85.51 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 112.801 0.667 . . . . 54.08 112.801 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.92 -17.01 48.63 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 116.435 2.013 . . . . 52.43 116.435 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.3 t -83.1 -38.2 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 108.117 -1.068 . . . . 53.12 108.117 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 117.078 1.591 . . . . 54.43 117.078 169.74 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 45.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.921 ' NH1' ' OE2' ' A' ' 6' ' ' GLU . 11.2 ttt85 -64.54 -39.65 94.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.056 -0.658 . . . . 47.13 110.676 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmm -74.19 -45.89 45.49 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 121.906 0.86 . . . . 47.72 112.086 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.696 ' HD3' ' O ' ' B' ' 102' ' ' HOH . 56.3 tttp -52.04 -41.96 62.71 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.325 -0.852 . . . . 32.48 111.625 173.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.72 -46.8 86.41 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.532 -1.355 . . . . 94.18 113.296 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.35 -41.55 93.78 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 120.844 -1.16 . . . . 21.82 113.176 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 0.93 ' OE2' ' NH2' ' A' ' 1' ' ' ARG . 92.1 mt-10 -60.56 -43.27 97.45 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.028 -0.73 . . . . 34.88 109.028 177.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.62 -39.23 87.46 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.298 1.222 . . . . 31.03 114.298 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 8.8 tppt? -64.5 -44.79 89.83 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 112.294 0.479 . . . . 29.66 112.294 176.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.63 -53.52 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-O 123.179 1.466 . . . . 21.33 112.829 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.91 -44.71 70.78 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.684 -1.26 . . . . 65.54 111.903 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 40.2 tt0 -62.01 -50.16 73.15 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.179 1.548 . . . . 35.8 115.179 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.03 -34.27 77.35 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 114.42 1.266 . . . . 20.25 114.42 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.24 -49.26 77.72 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.931 -1.106 . . . . 21.52 113.722 171.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.417 -2.077 0 N-CA-C 114.303 1.223 . . . . 24.17 114.303 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -56.63 -43.05 79.85 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 121.503 -0.748 . . . . 44.31 110.255 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -56.97 -46.87 81.88 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.291 1.043 . . . . 35.51 112.996 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -62.35 -41.9 98.96 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.312 -1.313 . . . . 29.12 111.642 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.53 -40.93 93.5 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.138 1.533 . . . . 56.37 115.138 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.65 -41.72 95.92 Favored 'General case' 0 C--O 1.184 -2.391 0 O-C-N 121.093 -1.005 . . . . 22.79 109.042 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.08 -38.6 79.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.297 1.221 . . . . 90.13 114.297 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -69.22 -43.27 74.41 Favored 'General case' 0 N--CA 1.427 -1.622 0 C-N-CA 120.303 -0.559 . . . . 35.32 110.408 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.17 -44.1 95.3 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 115.07 1.507 . . . . 64.7 115.07 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.81 -39.04 80.55 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.317 0 O-C-N 120.862 -1.149 . . . . 21.79 111.523 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.69 93.49 Favored 'General case' 0 CA--C 1.484 -1.563 0 O-C-N 119.66 -1.9 . . . . 23.69 110.547 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -62.18 -41.15 98.06 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.098 1.888 . . . . 90.75 116.098 176.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 mt -71.64 -34.17 69.55 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 108.457 -0.942 . . . . 37.19 108.457 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.2 -40.99 90.79 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 118.834 -0.603 . . . . 40.84 110.257 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -61.11 -48.72 80.36 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 118.639 0.654 . . . . 42.31 111.945 171.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 tp -47.43 -56.63 6.59 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.379 1.622 . . . . 52.95 115.379 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.39 -22.54 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 112.192 0.442 . . . . 58.7 112.192 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.6 25.24 12.21 Favored Glycine 0 C--O 1.204 -1.746 0 N-CA-C 111.553 -0.619 . . . . 42.96 111.553 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.02 -170.0 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.071 -1.455 . . . . 57.38 107.071 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.715 0 N-CA-C 113.033 0.753 . . . . 119.77 113.033 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.696 ' O ' ' HD3' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 63.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.93 ' NH2' ' OE2' ' B' ' 6' ' ' GLU . 2.1 ttt85 -65.51 -31.49 72.59 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 117.298 2.333 . . . . 64.019999999999996 117.298 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.7 tpp -67.8 -46.43 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.638 -0.505 . . . . 60.770000000000003 109.638 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -65.05 -28.85 69.76 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 114.283 1.216 . . . . 38.770000000000003 114.283 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -77.48 -33.48 54.51 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 122.577 1.18 . . . . 78.379999999999995 110.417 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.26 -45.82 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.484 -1.234 . . . . 19.57 111.163 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.921 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 96.3 mt-10 -56.21 -46.97 79.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 118.705 -0.664 . . . . 30.02 111.287 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -59.49 -42.85 93.08 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.532 2.049 . . . . 28.449999999999999 116.532 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -65.7 -37.79 87.43 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.283 1.216 . . . . 23.530000000000001 114.283 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.99 -54.5 23.36 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.769 0 CA-C-O 121.906 0.86 . . . . 21.579999999999998 112.398 171.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.42 -38.29 77.11 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 123.827 0.851 . . . . 41.340000000000003 111.842 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -64.93 -46.81 80.06 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 125.473 1.509 . . . . 59.490000000000002 113.713 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -68.88 -35.16 76.56 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.63 0.729 . . . . 18.18 110.644 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 113.219 0.822 . . . . 25.390000000000001 113.219 175.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -62.77 -42.56 99.75 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.552 1.316 . . . . 51.509999999999998 114.552 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -54.04 -43.74 70.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.764 -1.21 . . . . 39.710000000000001 114.191 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.32 -44.04 96.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.577 -0.702 . . . . 24.170000000000002 112.361 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -59.13 -41.7 88.86 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.823 -0.548 . . . . 30.260000000000002 111.24 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.39 -48.71 79.77 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 115.694 1.739 . . . . 29.32 115.694 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.17 -35.27 80.25 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-O 122.273 1.035 . . . . 25.300000000000001 112.101 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -64.03 -38.38 90.88 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 116.65 2.092 . . . . 98.5 116.65 171.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.24 -39.16 91.9 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.646 -0.659 . . . . 33.039999999999999 112.728 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.96 -43.86 97.64 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.509 2.04 . . . . 51.57 116.509 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 79.9 t -55.13 -46.33 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 122.642 0.377 . . . . 24.239999999999998 110.514 175.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.94 85.99 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 124.677 1.191 . . . . 31.350000000000001 109.635 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -66.92 -47.96 70.12 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 112.566 0.58 . . . . 31.440000000000001 112.566 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.5 mt -70.79 -25.9 63.09 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.86 0.838 . . . . 29.469999999999999 110.449 -176.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 94.0 mttt -72.81 -35.27 67.29 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.782 -0.644 . . . . 43.549999999999997 110.315 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -60.42 -47.57 85.51 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 112.801 0.667 . . . . 54.079999999999998 112.801 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.92 -17.01 48.63 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 116.435 2.013 . . . . 52.43 116.435 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 26' ' ' LEU . 85.3 t -83.1 -38.2 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 108.117 -1.068 . . . . 53.119999999999997 108.117 179.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 117.078 1.591 . . . . 54.43 117.078 169.74 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 45.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.921 ' NH1' ' OE2' ' A' ' 6' ' ' GLU . 11.2 ttt85 -64.54 -39.65 94.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.056 -0.658 . . . . 47.130000000000003 110.676 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmm -74.19 -45.89 45.49 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 121.906 0.86 . . . . 47.719999999999999 112.086 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.695 ' HD3' ' O ' ' B' ' 102' ' ' HOH . 56.3 tttp -52.04 -41.96 62.71 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.325 -0.852 . . . . 32.479999999999997 111.625 173.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.72 -46.8 86.41 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.532 -1.355 . . . . 94.180000000000007 113.296 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.35 -41.55 93.78 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 120.844 -1.16 . . . . 21.82 113.176 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.93 ' OE2' ' NH2' ' A' ' 1' ' ' ARG . 92.1 mt-10 -60.56 -43.27 97.45 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.028 -0.73 . . . . 34.880000000000003 109.028 177.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.62 -39.23 87.46 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.298 1.222 . . . . 31.030000000000001 114.298 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.5 -44.79 89.83 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 112.294 0.479 . . . . 29.66 112.294 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.63 -53.52 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-O 123.179 1.466 . . . . 21.329999999999998 112.829 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.91 -44.71 70.78 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.684 -1.26 . . . . 65.540000000000006 111.903 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.01 -50.16 73.15 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.179 1.548 . . . . 35.799999999999997 115.179 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.03 -34.27 77.35 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 114.42 1.266 . . . . 20.25 114.42 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.24 -49.26 77.72 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.931 -1.106 . . . . 21.52 113.722 171.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.417 -2.077 0 N-CA-C 114.303 1.223 . . . . 24.170000000000002 114.303 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -56.63 -43.05 79.85 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 121.503 -0.748 . . . . 44.310000000000002 110.255 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -56.97 -46.87 81.88 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.291 1.043 . . . . 35.509999999999998 112.996 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -62.35 -41.9 98.96 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.312 -1.313 . . . . 29.120000000000001 111.642 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.53 -40.93 93.5 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.138 1.533 . . . . 56.369999999999997 115.138 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.65 -41.72 95.92 Favored 'General case' 0 C--O 1.184 -2.391 0 O-C-N 121.093 -1.005 . . . . 22.789999999999999 109.042 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.08 -38.6 79.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.297 1.221 . . . . 90.129999999999995 114.297 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -69.22 -43.27 74.41 Favored 'General case' 0 N--CA 1.427 -1.622 0 C-N-CA 120.303 -0.559 . . . . 35.32 110.408 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.17 -44.1 95.3 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 115.07 1.507 . . . . 64.700000000000003 115.07 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.81 -39.04 80.55 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.317 0 O-C-N 120.862 -1.149 . . . . 21.789999999999999 111.523 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.69 93.49 Favored 'General case' 0 CA--C 1.484 -1.563 0 O-C-N 119.66 -1.9 . . . . 23.690000000000001 110.547 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -62.18 -41.15 98.06 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.098 1.888 . . . . 90.75 116.098 176.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 mt -71.64 -34.17 69.55 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 108.457 -0.942 . . . . 37.189999999999998 108.457 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.2 -40.99 90.79 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 118.834 -0.603 . . . . 40.840000000000003 110.257 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -61.11 -48.72 80.36 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 118.639 0.654 . . . . 42.310000000000002 111.945 171.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.407 HD23 HG21 ' A' ' 30' ' ' VAL . 35.1 tp -47.43 -56.63 6.59 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.379 1.622 . . . . 52.950000000000003 115.379 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.39 -22.54 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 112.192 0.442 . . . . 58.700000000000003 112.192 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.6 25.24 12.21 Favored Glycine 0 C--O 1.204 -1.746 0 N-CA-C 111.553 -0.619 . . . . 42.960000000000001 111.553 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 33' ' ' ARG . 25.2 tt0 -89.02 -170.0 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.071 -1.455 . . . . 57.380000000000003 107.071 178.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' B' ' 32' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.715 0 N-CA-C 113.033 0.753 . . . . 119.77 113.033 171.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.695 ' O ' ' HD3' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 63.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.93 ' NH2' ' OE2' ' B' ' 6' ' ' GLU . 2.1 ttt85 -65.51 -31.49 72.59 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 117.298 2.333 . . . . 64.019999999999996 117.298 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.7 tpp -67.8 -46.43 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.638 -0.505 . . . . 60.770000000000003 109.638 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -65.05 -28.85 69.76 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 114.283 1.216 . . . . 38.770000000000003 114.283 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -77.48 -33.48 54.51 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 122.577 1.18 . . . . 78.379999999999995 110.417 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -68.26 -45.82 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.484 -1.234 . . . . 19.57 111.163 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.921 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 96.3 mt-10 -56.21 -46.97 79.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 118.705 -0.664 . . . . 30.02 111.287 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -59.49 -42.85 93.08 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.532 2.049 . . . . 28.449999999999999 116.532 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -65.7 -37.79 87.43 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.283 1.216 . . . . 23.530000000000001 114.283 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.99 -54.5 23.36 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.769 0 CA-C-O 121.906 0.86 . . . . 21.579999999999998 112.398 171.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.42 -38.29 77.11 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 123.827 0.851 . . . . 41.340000000000003 111.842 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -64.93 -46.81 80.06 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 125.473 1.509 . . . . 59.490000000000002 113.713 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -68.88 -35.16 76.56 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.63 0.729 . . . . 18.18 110.644 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 113.219 0.822 . . . . 25.390000000000001 113.219 175.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -62.77 -42.56 99.75 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.552 1.316 . . . . 51.509999999999998 114.552 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -54.04 -43.74 70.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.764 -1.21 . . . . 39.710000000000001 114.191 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.32 -44.04 96.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.577 -0.702 . . . . 24.170000000000002 112.361 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -59.13 -41.7 88.86 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.823 -0.548 . . . . 30.260000000000002 111.24 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.39 -48.71 79.77 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 115.694 1.739 . . . . 29.32 115.694 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.17 -35.27 80.25 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-O 122.273 1.035 . . . . 25.300000000000001 112.101 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -64.03 -38.38 90.88 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 116.65 2.092 . . . . 98.5 116.65 171.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.24 -39.16 91.9 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.646 -0.659 . . . . 33.039999999999999 112.728 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.96 -43.86 97.64 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.509 2.04 . . . . 51.57 116.509 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 79.9 t -55.13 -46.33 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 122.642 0.377 . . . . 24.239999999999998 110.514 175.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.94 85.99 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 124.677 1.191 . . . . 31.350000000000001 109.635 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -66.92 -47.96 70.12 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 112.566 0.58 . . . . 31.440000000000001 112.566 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.5 mt -70.79 -25.9 63.09 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.86 0.838 . . . . 29.469999999999999 110.449 -176.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 94.0 mttt -72.81 -35.27 67.29 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.782 -0.644 . . . . 43.549999999999997 110.315 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -60.42 -47.57 85.51 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 112.801 0.667 . . . . 54.079999999999998 112.801 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.92 -17.01 48.63 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 116.435 2.013 . . . . 52.43 116.435 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 26' ' ' LEU . 85.3 t -83.1 -38.2 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 108.117 -1.068 . . . . 53.119999999999997 108.117 179.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 117.078 1.591 . . . . 54.43 117.078 169.74 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 45.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.921 ' NH1' ' OE2' ' A' ' 6' ' ' GLU . 11.2 ttt85 -64.54 -39.65 94.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.056 -0.658 . . . . 47.130000000000003 110.676 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmm -74.19 -45.89 45.49 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 121.906 0.86 . . . . 47.719999999999999 112.086 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.695 ' HD3' ' O ' ' B' ' 102' ' ' HOH . 56.3 tttp -52.04 -41.96 62.71 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.325 -0.852 . . . . 32.479999999999997 111.625 173.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.72 -46.8 86.41 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.532 -1.355 . . . . 94.180000000000007 113.296 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.35 -41.55 93.78 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 120.844 -1.16 . . . . 21.82 113.176 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.93 ' OE2' ' NH2' ' A' ' 1' ' ' ARG . 92.1 mt-10 -60.56 -43.27 97.45 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.028 -0.73 . . . . 34.880000000000003 109.028 177.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.62 -39.23 87.46 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.298 1.222 . . . . 31.030000000000001 114.298 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.5 -44.79 89.83 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 112.294 0.479 . . . . 29.66 112.294 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.63 -53.52 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-O 123.179 1.466 . . . . 21.329999999999998 112.829 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.91 -44.71 70.78 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.684 -1.26 . . . . 65.540000000000006 111.903 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.01 -50.16 73.15 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.179 1.548 . . . . 35.799999999999997 115.179 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.03 -34.27 77.35 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 114.42 1.266 . . . . 20.25 114.42 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.24 -49.26 77.72 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.931 -1.106 . . . . 21.52 113.722 171.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.417 -2.077 0 N-CA-C 114.303 1.223 . . . . 24.170000000000002 114.303 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -56.63 -43.05 79.85 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 121.503 -0.748 . . . . 44.310000000000002 110.255 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -56.97 -46.87 81.88 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.291 1.043 . . . . 35.509999999999998 112.996 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -62.35 -41.9 98.96 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.312 -1.313 . . . . 29.120000000000001 111.642 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.53 -40.93 93.5 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.138 1.533 . . . . 56.369999999999997 115.138 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.65 -41.72 95.92 Favored 'General case' 0 C--O 1.184 -2.391 0 O-C-N 121.093 -1.005 . . . . 22.789999999999999 109.042 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.08 -38.6 79.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.297 1.221 . . . . 90.129999999999995 114.297 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -69.22 -43.27 74.41 Favored 'General case' 0 N--CA 1.427 -1.622 0 C-N-CA 120.303 -0.559 . . . . 35.32 110.408 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.17 -44.1 95.3 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 115.07 1.507 . . . . 64.700000000000003 115.07 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.81 -39.04 80.55 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.317 0 O-C-N 120.862 -1.149 . . . . 21.789999999999999 111.523 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.69 93.49 Favored 'General case' 0 CA--C 1.484 -1.563 0 O-C-N 119.66 -1.9 . . . . 23.690000000000001 110.547 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -62.18 -41.15 98.06 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.098 1.888 . . . . 90.75 116.098 176.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 mt -71.64 -34.17 69.55 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 108.457 -0.942 . . . . 37.189999999999998 108.457 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.2 -40.99 90.79 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 118.834 -0.603 . . . . 40.840000000000003 110.257 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -61.11 -48.72 80.36 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 118.639 0.654 . . . . 42.310000000000002 111.945 171.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.407 HD23 HG21 ' A' ' 30' ' ' VAL . 35.1 tp -47.43 -56.63 6.59 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.379 1.622 . . . . 52.950000000000003 115.379 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.39 -22.54 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 112.192 0.442 . . . . 58.700000000000003 112.192 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.6 25.24 12.21 Favored Glycine 0 C--O 1.204 -1.746 0 N-CA-C 111.553 -0.619 . . . . 42.960000000000001 111.553 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 33' ' ' ARG . 25.2 tt0 -89.02 -170.0 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.071 -1.455 . . . . 57.380000000000003 107.071 178.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' B' ' 32' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.715 0 N-CA-C 113.033 0.753 . . . . 119.77 113.033 171.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.695 ' O ' ' HD3' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_