data_6lfa_residue ############################ # Computer software used # ############################ 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 6lfa _Structure_validation_residue.Date_analyzed 2020-07-10 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 ' -9' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 112.291 0.478 . . . . 61.7 112.291 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -116.4 179.36 4.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.225 1.01 . . . . 64.1 110.294 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -90.05 -10.78 43.55 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.953 1.094 . . . . 80.29 113.953 -167.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -146.4 39.26 1.07 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 119.758 1.163 . . . . 32.69 111.595 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -86.21 125.65 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.839 0.856 . . . . 54.42 110.384 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -78.74 106.93 11.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.686 -0.857 . . . . 37.1 108.686 169.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -91.54 6.5 45.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.288 -0.565 . . . . 31.0 112.234 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 54.97 37.14 28.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.594 0.711 . . . . 57.89 110.599 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -74.52 136.04 42.18 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.264 -0.88 . . . . 39.53 109.262 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -115.61 117.92 31.66 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.269 -0.641 . . . . 76.98 109.269 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -172.16 166.09 38.86 Favored Glycine 0 N--CA 1.436 -1.353 0 N-CA-C 106.52 -2.632 . . . . 27.29 106.52 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.26 -5.27 10.28 Favored 'Trans proline' 0 C--O 1.24 0.592 0 N-CA-C 115.921 1.469 . . . . 40.1 115.921 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.7 tp -136.72 115.93 12.55 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.576 -1.268 . . . . 44.12 107.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.0 p -113.8 162.69 21.42 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 122.884 0.474 . . . . 36.28 110.685 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.75 -40.03 81.48 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 118.806 -0.329 . . . . 22.72 112.271 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.21 86.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.914 -0.491 . . . . 23.52 111.67 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.3 -46.79 88.61 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.752 -0.592 . . . . 36.81 111.02 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -41.33 86.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 118.972 -1.091 . . . . 30.16 109.464 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.52 -38.49 87.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 122.082 -0.386 . . . . 33.14 111.304 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -96.59 -5.88 38.12 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 114.77 1.396 . . . . 34.98 114.77 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.88 137.65 18.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-N 119.974 1.261 . . . . 28.35 108.51 -175.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.14 145.98 40.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 30.38 111.01 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -123.59 135.22 53.85 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.378 0.671 . . . . 35.7 109.232 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -74.46 178.01 5.57 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.253 1.025 . . . . 35.9 109.815 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -79.86 167.18 35.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.954 0.883 . . . . 76.38 110.155 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' O ' ' NH2' ' B' ' 21' ' ' ARG . 16.1 Cg_exo -71.69 162.19 42.86 Favored 'Trans proline' 0 C--O 1.243 0.763 0 N-CA-C 110.767 -0.513 . . . . 47.23 110.767 -176.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -51.48 130.18 32.14 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 109.408 -1.035 . . . . 63.19 109.408 164.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 3.7 tp -69.0 134.45 30.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 107.48 -1.304 . . . . 93.05 107.48 170.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 18' ' ' ILE . . . -120.24 35.36 3.8 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 126.702 2.096 . . . . 63.65 109.72 9.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -72.4 156.96 38.51 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.235 1.017 . . . . 83.24 109.791 163.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -109.74 162.9 14.01 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.876 -1.157 . . . . 83.06 107.876 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' B' ' 16' ' ' PRO . . . -116.21 -145.4 8.34 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 118.589 -1.767 . . . . 38.13 112.908 -173.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -87.42 141.67 28.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.74 0.781 . . . . 33.11 110.998 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -48.12 124.57 7.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 34.51 112.22 167.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -74.36 -37.52 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.2 0.445 . . . . 43.1 112.2 -174.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.63 -47.54 85.21 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.2 -0.938 . . . . 60.51 111.036 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -64.79 -41.7 95.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.609 -0.268 . . . . 43.88 111.467 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.3 t -66.94 -46.23 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 119.205 -0.998 . . . . 23.85 110.038 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -53.19 -49.96 65.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.891 -0.505 . . . . 33.92 111.958 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.52 98.64 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 120.345 -0.542 . . . . 34.13 111.614 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.2 -38.76 87.71 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.464 -0.895 . . . . 37.46 111.001 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.85 -25.48 60.09 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.485 -0.886 . . . . 32.21 111.024 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.06 -44.34 92.73 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.242 -0.983 . . . . 42.19 110.834 169.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.4 mt -61.05 -39.13 88.65 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 117.687 -1.605 . . . . 41.66 110.462 175.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.51 -44.58 96.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 120.154 -0.618 . . . . 21.51 110.245 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.95 -40.11 92.07 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 118.767 -1.173 . . . . 28.8 109.746 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.08 -46.61 77.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.844 -0.743 . . . . 64.94 111.738 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -65.83 -41.19 92.08 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 120.048 -0.661 . . . . 47.54 111.465 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.28 -41.55 98.57 Favored 'General case' 0 C--O 1.254 1.301 0 C-N-CA 119.817 -0.753 . . . . 40.12 110.976 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.6 m -58.26 -46.97 85.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.843 -0.743 . . . . 31.31 110.623 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -63.55 -39.79 95.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.644 -0.822 . . . . 80.91 111.706 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.63 -37.5 70.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.234 -0.986 . . . . 43.38 110.931 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.23 -36.02 76.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 120.021 -0.672 . . . . 34.15 110.304 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -68.62 -38.61 80.7 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.442 -0.903 . . . . 46.03 110.491 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.8 -43.77 92.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.273 -0.571 . . . . 49.45 110.53 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.64 -46.43 70.53 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.352 0.596 . . . . 31.34 111.154 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 t -68.8 -38.4 79.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.365 -0.534 . . . . 42.1 111.278 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -68.94 -40.63 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.264 -0.974 . . . . 47.93 112.087 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.35 -36.21 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.557 -0.857 . . . . 36.96 110.162 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -70.55 -41.54 72.35 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 118.543 -1.263 . . . . 73.57 111.59 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.16 -41.9 89.47 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.071 -1.052 . . . . 77.54 111.076 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -65.85 -34.58 78.48 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.028 -1.069 . . . . 135.49 110.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mt -70.45 -34.24 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 118.512 -1.275 . . . . 47.61 109.78 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.7 -39.63 88.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.288 -0.965 . . . . 67.84 110.945 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -67.01 -44.55 80.03 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.235 -0.586 . . . . 109.55 111.108 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.91 -51.84 66.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.846 -0.742 . . . . 60.12 111.123 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -57.83 -22.53 48.17 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.175 -0.61 . . . . 72.99 111.053 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.95 -44.73 46.83 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.934 -0.306 . . . . 99.94 111.083 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.58 -19.09 65.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.753 1.02 . . . . 85.69 113.753 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.242 0.702 0 CA-C-N 118.811 0.732 . . . . 92.61 111.581 -175.491 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 21.3 m170 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 112.264 0.468 . . . . 78.64 112.264 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -133.19 38.05 3.35 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.462 -0.774 . . . . 34.67 111.574 -169.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 N--CA 1.477 0.898 0 O-C-N 121.568 -0.708 . . . . 71.93 111.539 177.795 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 CA-C-O 120.935 0.306 . . . . 63.96 111.82 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.93 131.08 36.82 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.909 -0.775 . . . . 52.13 108.909 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -107.12 161.02 24.31 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 121.234 0.54 . . . . 36.78 111.532 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -44.1 51.7 Favored 'Trans proline' 0 CA--C 1.515 -0.465 0 CA-C-O 121.256 0.44 . . . . 29.32 112.361 170.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.28 -40.42 71.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.52 . . . . 27.81 111.735 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.03 -33.64 73.6 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 117.64 -1.624 . . . . 38.03 112.238 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -73.4 -40.56 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 C-N-CA 119.86 -0.736 . . . . 25.15 109.327 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -59.06 -39.48 82.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.905 -0.588 . . . . 44.52 111.238 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.74 -15.54 23.78 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.678 1.362 . . . . 21.89 114.678 -171.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -52.89 140.83 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-N 119.985 1.266 . . . . 25.76 108.908 -174.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.63 127.86 39.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.66 -0.7 . . . . 36.86 109.403 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.03 144.99 34.61 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.061 0.458 . . . . 37.45 110.103 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 36.9 p -78.94 -177.4 5.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.629 1.204 . . . . 44.02 110.591 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -79.54 161.78 65.73 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 115.018 -0.992 . . . . 126.07 110.598 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 23.7 Cg_exo -65.3 163.2 30.24 Favored 'Trans proline' 0 C--O 1.241 0.635 0 N-CA-C 109.743 -0.907 . . . . 46.14 109.743 173.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -55.89 152.17 37.34 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 N-CA-C 110.408 -0.651 . . . . 44.96 110.408 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mt -55.51 137.53 16.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.371 -0.831 . . . . 74.83 109.017 163.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.31 80.75 0.28 Allowed Glycine 0 N--CA 1.445 -0.708 1 N-CA-C 102.702 -4.159 . . . . 58.29 102.702 -28.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -97.27 172.81 7.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.487 1.115 . . . . 90.26 109.051 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . 0.483 ' NH2' ' O ' ' A' ' 16' ' ' PRO . 63.2 mtp180 -111.2 -37.65 5.25 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 113.944 1.091 . . . . 84.42 113.944 -171.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.98 -166.99 47.25 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-O 122.074 0.819 . . . . 40.66 113.417 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -92.39 134.16 35.2 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.508 1.123 . . . . 37.59 112.481 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -44.28 127.02 5.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.317 0.647 . . . . 33.48 112.38 169.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -83.04 -30.13 28.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.452 -0.499 . . . . 45.79 112.122 -169.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.41 -40.92 96.71 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 120.45 -0.5 . . . . 40.74 111.19 175.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -66.15 -48.09 71.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.986 0.422 . . . . 32.49 111.196 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.67 -45.75 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.041 0.448 . . . . 24.83 110.152 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.41 -51.61 64.35 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.861 -0.524 . . . . 33.29 111.442 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.41 87.39 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.844 -1.142 . . . . 25.42 110.87 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.45 -38.15 77.67 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.045 -1.062 . . . . 32.72 111.244 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.2 -28.79 68.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 119.72 -0.792 . . . . 27.37 110.736 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -67.06 -44.35 80.33 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.374 -0.93 . . . . 33.89 110.914 175.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.76 -47.59 76.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.891 -1.124 . . . . 31.63 110.872 172.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.47 -56.06 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.272 0.558 . . . . 30.84 111.033 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.7 -47.85 70.1 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.843 -0.536 . . . . 31.87 111.245 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.01 -45.15 83.27 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 112.252 0.464 . . . . 40.64 112.252 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.09 -37.43 58.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.646 -1.222 . . . . 34.42 111.726 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.65 -47.65 83.73 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 118.808 -1.157 . . . . 43.96 110.174 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.5 m -57.03 -48.54 78.27 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.271 -0.972 . . . . 37.66 111.005 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -64.97 -37.38 87.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.035 -0.666 . . . . 37.56 111.079 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.53 -35.93 70.85 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 117.876 -1.53 . . . . 32.92 110.185 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.58 -43.94 96.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 C-N-CA 120.406 -0.518 . . . . 43.46 111.149 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.5 -45.1 94.53 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 120.962 0.411 . . . . 56.66 110.946 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.03 -38.08 82.11 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.848 -0.741 . . . . 60.05 110.83 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.69 -43.57 97.57 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.397 -0.521 . . . . 30.26 110.732 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 p -64.67 -33.25 75.52 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 119.271 -0.972 . . . . 50.22 111.413 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.56 -42.68 86.72 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.295 -0.962 . . . . 67.35 111.982 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.53 -42.05 86.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.406 -0.809 . . . . 50.74 110.829 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ttm105 -63.49 -38.49 91.34 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.963 -0.46 . . . . 42.26 111.154 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.6 -43.36 99.0 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.133 0.492 . . . . 78.75 110.581 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 18.6 tpp85 -62.89 -37.51 87.21 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.073 -0.651 . . . . 69.37 110.587 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.77 -43.44 98.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.575 0.702 . . . . 42.99 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.43 -48.68 78.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 77.7 110.433 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.98 -36.01 74.16 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.972 -0.691 . . . . 75.64 110.676 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.92 -36.26 59.47 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.051 -1.06 . . . . 55.41 110.515 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -65.26 -39.01 92.07 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.475 -0.89 . . . . 59.58 110.637 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -59.04 -25.4 63.68 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.426 0.528 . . . . 95.41 112.426 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -90.43 0.74 57.17 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.15 0.426 . . . . 58.75 112.15 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 118.631 -0.699 . . . . 74.53 110.472 179.245 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 101' ' ' HOH . . . . . 0.425 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 112.291 0.478 . . . . 61.7 112.291 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -116.4 179.36 4.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.225 1.01 . . . . 53.38 110.294 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -90.05 -10.78 43.55 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.953 1.094 . . . . 66.87 113.953 -167.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -146.4 39.26 1.07 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 119.758 1.163 . . . . 27.21 111.595 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -86.21 125.65 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.839 0.856 . . . . 52.8 110.384 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -78.74 106.93 11.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.686 -0.857 . . . . 37.1 108.686 169.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -91.54 6.5 45.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.288 -0.565 . . . . 25.8 112.234 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 54.97 37.14 28.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.594 0.711 . . . . 48.21 110.599 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -74.52 136.04 42.18 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.264 -0.88 . . . . 33.13 109.262 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -115.61 117.92 31.66 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.269 -0.641 . . . . 64.11 109.269 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -172.16 166.09 38.86 Favored Glycine 0 N--CA 1.436 -1.353 0 N-CA-C 106.52 -2.632 . . . . 22.71 106.52 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.26 -5.27 10.28 Favored 'Trans proline' 0 C--O 1.24 0.592 0 N-CA-C 115.921 1.469 . . . . 33.38 115.921 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.7 tp -136.72 115.93 12.55 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.576 -1.268 . . . . 36.74 107.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.0 p -113.8 162.69 21.42 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 122.884 0.474 . . . . 30.2 110.685 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.75 -40.03 81.48 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 118.806 -0.329 . . . . 20.33 112.271 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.21 86.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.914 -0.491 . . . . 19.57 111.67 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.3 -46.79 88.61 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.752 -0.592 . . . . 36.81 111.02 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -41.33 86.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 118.972 -1.091 . . . . 25.22 109.464 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.52 -38.49 87.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 122.082 -0.386 . . . . 27.58 111.304 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -96.59 -5.88 38.12 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 114.77 1.396 . . . . 29.12 114.77 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.88 137.65 18.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-N 119.974 1.261 . . . . 26.52 108.51 -175.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.14 145.98 40.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 25.29 111.01 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -123.59 135.22 53.85 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.378 0.671 . . . . 29.72 109.232 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -74.46 178.01 5.57 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.253 1.025 . . . . 30.39 109.815 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -79.86 167.18 35.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.954 0.883 . . . . 63.62 110.155 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' O ' ' NH2' ' B' ' 21' ' ' ARG . 16.1 Cg_exo -71.69 162.19 42.86 Favored 'Trans proline' 0 C--O 1.243 0.763 0 N-CA-C 110.767 -0.513 . . . . 39.32 110.767 -176.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -51.48 130.18 32.14 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 109.408 -1.035 . . . . 59.27 109.408 164.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 3.7 tp -69.0 134.45 30.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 107.48 -1.304 . . . . 77.51 107.48 170.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 18' ' ' ILE . . . -120.24 35.36 3.8 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 126.702 2.096 . . . . 63.65 109.72 9.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -72.4 156.96 38.51 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.235 1.017 . . . . 69.33 109.791 163.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -109.74 162.9 14.01 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.876 -1.157 . . . . 69.18 107.876 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 16' ' ' PRO . . . -116.21 -145.4 8.34 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 118.589 -1.767 . . . . 31.74 112.908 -173.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -87.42 141.67 28.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.74 0.781 . . . . 27.55 110.998 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -48.12 124.57 7.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 34.51 112.22 167.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -74.36 -37.52 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.2 0.445 . . . . 42.87 112.2 -174.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.63 -47.54 85.21 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.2 -0.938 . . . . 60.51 111.036 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -64.79 -41.7 95.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.609 -0.268 . . . . 43.88 111.467 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.3 t -66.94 -46.23 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 119.205 -0.998 . . . . 19.84 110.038 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -53.19 -49.96 65.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.891 -0.505 . . . . 33.92 111.958 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.52 98.64 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 120.345 -0.542 . . . . 28.41 111.614 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.2 -38.76 87.71 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.464 -0.895 . . . . 31.18 111.001 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.85 -25.48 60.09 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.485 -0.886 . . . . 26.8 111.024 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.06 -44.34 92.73 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.242 -0.983 . . . . 42.19 110.834 169.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.4 mt -61.05 -39.13 88.65 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 117.687 -1.605 . . . . 34.68 110.462 175.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.51 -44.58 96.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 120.154 -0.618 . . . . 17.89 110.245 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.95 -40.11 92.07 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 118.767 -1.173 . . . . 28.05 109.746 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.08 -46.61 77.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.844 -0.743 . . . . 54.08 111.738 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -65.83 -41.19 92.08 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 120.048 -0.661 . . . . 47.54 111.465 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.28 -41.55 98.57 Favored 'General case' 0 C--O 1.254 1.301 0 C-N-CA 119.817 -0.753 . . . . 40.12 110.976 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.6 m -58.26 -46.97 85.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.843 -0.743 . . . . 26.06 110.623 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -63.55 -39.79 95.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.644 -0.822 . . . . 67.39 111.706 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.63 -37.5 70.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.234 -0.986 . . . . 36.12 110.931 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.23 -36.02 76.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 120.021 -0.672 . . . . 28.42 110.304 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -68.62 -38.61 80.7 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.442 -0.903 . . . . 46.03 110.491 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.8 -43.77 92.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.273 -0.571 . . . . 49.45 110.53 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.64 -46.43 70.53 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.352 0.596 . . . . 26.08 111.154 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 t -68.8 -38.4 79.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.365 -0.534 . . . . 35.05 111.278 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -68.94 -40.63 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.264 -0.974 . . . . 47.93 112.087 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.35 -36.21 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.557 -0.857 . . . . 30.77 110.162 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -70.55 -41.54 72.35 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 118.543 -1.263 . . . . 61.28 111.59 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.16 -41.9 89.47 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.071 -1.052 . . . . 68.5 111.076 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -65.85 -34.58 78.48 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.028 -1.069 . . . . 112.88 110.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mt -70.45 -34.24 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 118.512 -1.275 . . . . 44.41 109.78 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.7 -39.63 88.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.288 -0.965 . . . . 56.5 110.945 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -67.01 -44.55 80.03 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.235 -0.586 . . . . 92.31 111.108 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.91 -51.84 66.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.846 -0.742 . . . . 54.11 111.123 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -57.83 -22.53 48.17 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.175 -0.61 . . . . 72.99 111.053 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.95 -44.73 46.83 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.934 -0.306 . . . . 83.25 111.083 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.58 -19.09 65.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.753 1.02 . . . . 85.69 113.753 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.242 0.702 0 CA-C-N 118.811 0.732 . . . . 78.5 111.581 -175.491 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 21.3 m170 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 112.264 0.468 . . . . 65.5 112.264 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -133.19 38.05 3.35 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.462 -0.774 . . . . 33.57 111.574 -169.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 N--CA 1.477 0.898 0 O-C-N 121.568 -0.708 . . . . 64.17 111.539 177.795 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 CA-C-O 120.935 0.306 . . . . 53.27 111.82 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.93 131.08 36.82 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.909 -0.775 . . . . 43.4 108.909 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -107.12 161.02 24.31 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 121.234 0.54 . . . . 30.62 111.532 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -44.1 51.7 Favored 'Trans proline' 0 CA--C 1.515 -0.465 0 CA-C-O 121.256 0.44 . . . . 26.18 112.361 170.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.28 -40.42 71.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.52 . . . . 23.14 111.735 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.03 -33.64 73.6 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 117.64 -1.624 . . . . 34.74 112.238 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -73.4 -40.56 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 C-N-CA 119.86 -0.736 . . . . 20.92 109.327 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -59.06 -39.48 82.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.905 -0.588 . . . . 37.06 111.238 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.74 -15.54 23.78 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.678 1.362 . . . . 21.89 114.678 -171.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -52.89 140.83 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-N 119.985 1.266 . . . . 21.43 108.908 -174.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.63 127.86 39.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.66 -0.7 . . . . 36.86 109.403 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.03 144.99 34.61 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.061 0.458 . . . . 31.17 110.103 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 36.9 p -78.94 -177.4 5.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.629 1.204 . . . . 36.65 110.591 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -79.54 161.78 65.73 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 115.018 -0.992 . . . . 105.02 110.598 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 23.7 Cg_exo -65.3 163.2 30.24 Favored 'Trans proline' 0 C--O 1.241 0.635 0 N-CA-C 109.743 -0.907 . . . . 38.42 109.743 173.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -55.89 152.17 37.34 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 N-CA-C 110.408 -0.651 . . . . 40.65 110.408 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mt -55.51 137.53 16.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.371 -0.831 . . . . 63.15 109.017 163.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.31 80.75 0.28 Allowed Glycine 0 N--CA 1.445 -0.708 1 N-CA-C 102.702 -4.159 . . . . 50.34 102.702 -28.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -97.27 172.81 7.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.487 1.115 . . . . 75.18 109.051 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . 0.483 ' NH2' ' O ' ' A' ' 16' ' ' PRO . 63.2 mtp180 -111.2 -37.65 5.25 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 113.944 1.091 . . . . 70.31 113.944 -171.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.98 -166.99 47.25 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-O 122.074 0.819 . . . . 33.85 113.417 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -92.39 134.16 35.2 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.508 1.123 . . . . 31.29 112.481 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -44.28 127.02 5.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.317 0.647 . . . . 27.87 112.38 169.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -83.04 -30.13 28.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.452 -0.499 . . . . 45.79 112.122 -169.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.41 -40.92 96.71 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 120.45 -0.5 . . . . 40.74 111.19 175.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -66.15 -48.09 71.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.986 0.422 . . . . 30.41 111.196 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.67 -45.75 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.041 0.448 . . . . 20.66 110.152 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.41 -51.61 64.35 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.861 -0.524 . . . . 33.29 111.442 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.41 87.39 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.844 -1.142 . . . . 21.15 110.87 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.45 -38.15 77.67 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.045 -1.062 . . . . 27.24 111.244 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.2 -28.79 68.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 119.72 -0.792 . . . . 22.77 110.736 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -67.06 -44.35 80.33 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.374 -0.93 . . . . 33.89 110.914 175.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.76 -47.59 76.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.891 -1.124 . . . . 26.33 110.872 172.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.47 -56.06 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.272 0.558 . . . . 25.67 111.033 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.7 -47.85 70.1 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.843 -0.536 . . . . 31.87 111.245 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.01 -45.15 83.27 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 112.252 0.464 . . . . 33.83 112.252 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.09 -37.43 58.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.646 -1.222 . . . . 31.33 111.726 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.65 -47.65 83.73 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 118.808 -1.157 . . . . 36.6 110.174 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.5 m -57.03 -48.54 78.27 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.271 -0.972 . . . . 31.35 111.005 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -64.97 -37.38 87.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.035 -0.666 . . . . 37.56 111.079 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.53 -35.93 70.85 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 117.876 -1.53 . . . . 27.4 110.185 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.58 -43.94 96.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 C-N-CA 120.406 -0.518 . . . . 36.18 111.149 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.5 -45.1 94.53 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 120.962 0.411 . . . . 56.66 110.946 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.03 -38.08 82.11 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.848 -0.741 . . . . 57.1 110.83 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.69 -43.57 97.57 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.397 -0.521 . . . . 30.26 110.732 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 p -64.67 -33.25 75.52 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 119.271 -0.972 . . . . 41.82 111.413 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.56 -42.68 86.72 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.295 -0.962 . . . . 67.35 111.982 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.53 -42.05 86.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.406 -0.809 . . . . 42.25 110.829 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ttm105 -63.49 -38.49 91.34 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.963 -0.46 . . . . 37.51 111.154 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.6 -43.36 99.0 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.133 0.492 . . . . 77.9 110.581 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 18.6 tpp85 -62.89 -37.51 87.21 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.073 -0.651 . . . . 57.78 110.587 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.77 -43.44 98.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.575 0.702 . . . . 35.79 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.43 -48.68 78.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 64.71 110.433 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.98 -36.01 74.16 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.972 -0.691 . . . . 75.64 110.676 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.92 -36.26 59.47 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.051 -1.06 . . . . 46.35 110.515 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -65.26 -39.01 92.07 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.475 -0.89 . . . . 59.58 110.637 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -59.04 -25.4 63.68 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.426 0.528 . . . . 79.47 112.426 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -90.43 0.74 57.17 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.15 0.426 . . . . 58.75 112.15 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 118.631 -0.699 . . . . 62.07 110.472 179.245 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 101' ' ' HOH . . . . . 0.425 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 112.291 0.478 . . . . 61.7 112.291 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -116.4 179.36 4.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.225 1.01 . . . . 53.38 110.294 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -90.05 -10.78 43.55 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.953 1.094 . . . . 66.87 113.953 -167.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -146.4 39.26 1.07 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 119.758 1.163 . . . . 27.21 111.595 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -86.21 125.65 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.839 0.856 . . . . 52.8 110.384 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -78.74 106.93 11.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.686 -0.857 . . . . 37.1 108.686 169.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -91.54 6.5 45.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.288 -0.565 . . . . 25.8 112.234 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 54.97 37.14 28.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.594 0.711 . . . . 48.21 110.599 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -74.52 136.04 42.18 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.264 -0.88 . . . . 33.13 109.262 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -115.61 117.92 31.66 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.269 -0.641 . . . . 64.11 109.269 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -172.16 166.09 38.86 Favored Glycine 0 N--CA 1.436 -1.353 0 N-CA-C 106.52 -2.632 . . . . 22.71 106.52 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.26 -5.27 10.28 Favored 'Trans proline' 0 C--O 1.24 0.592 0 N-CA-C 115.921 1.469 . . . . 33.38 115.921 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.7 tp -136.72 115.93 12.55 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.576 -1.268 . . . . 36.74 107.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.0 p -113.8 162.69 21.42 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 122.884 0.474 . . . . 30.2 110.685 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.75 -40.03 81.48 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 118.806 -0.329 . . . . 20.33 112.271 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.21 86.76 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.914 -0.491 . . . . 19.57 111.67 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.3 -46.79 88.61 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.752 -0.592 . . . . 36.81 111.02 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -41.33 86.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 118.972 -1.091 . . . . 25.22 109.464 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.52 -38.49 87.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 122.082 -0.386 . . . . 27.58 111.304 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -96.59 -5.88 38.12 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 114.77 1.396 . . . . 29.12 114.77 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.88 137.65 18.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 CA-C-N 119.974 1.261 . . . . 26.52 108.51 -175.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.14 145.98 40.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 25.29 111.01 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -123.59 135.22 53.85 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.378 0.671 . . . . 29.72 109.232 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -74.46 178.01 5.57 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.253 1.025 . . . . 30.39 109.815 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -79.86 167.18 35.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.954 0.883 . . . . 63.62 110.155 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' O ' ' NH2' ' B' ' 21' ' ' ARG . 16.1 Cg_exo -71.69 162.19 42.86 Favored 'Trans proline' 0 C--O 1.243 0.763 0 N-CA-C 110.767 -0.513 . . . . 39.32 110.767 -176.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -51.48 130.18 32.14 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 109.408 -1.035 . . . . 59.27 109.408 164.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 3.7 tp -69.0 134.45 30.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 107.48 -1.304 . . . . 77.51 107.48 170.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 18' ' ' ILE . . . -120.24 35.36 3.8 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 126.702 2.096 . . . . 63.65 109.72 9.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -72.4 156.96 38.51 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.235 1.017 . . . . 69.33 109.791 163.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -109.74 162.9 14.01 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.876 -1.157 . . . . 69.18 107.876 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 16' ' ' PRO . . . -116.21 -145.4 8.34 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 118.589 -1.767 . . . . 31.74 112.908 -173.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -87.42 141.67 28.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.74 0.781 . . . . 27.55 110.998 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -48.12 124.57 7.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 34.51 112.22 167.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -74.36 -37.52 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.2 0.445 . . . . 42.87 112.2 -174.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.63 -47.54 85.21 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.2 -0.938 . . . . 60.51 111.036 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -64.79 -41.7 95.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.609 -0.268 . . . . 43.88 111.467 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.3 t -66.94 -46.23 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 119.205 -0.998 . . . . 19.84 110.038 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -53.19 -49.96 65.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.891 -0.505 . . . . 33.92 111.958 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.52 98.64 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 120.345 -0.542 . . . . 28.41 111.614 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.2 -38.76 87.71 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.464 -0.895 . . . . 31.18 111.001 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.85 -25.48 60.09 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.485 -0.886 . . . . 26.8 111.024 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.06 -44.34 92.73 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.242 -0.983 . . . . 42.19 110.834 169.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.4 mt -61.05 -39.13 88.65 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 117.687 -1.605 . . . . 34.68 110.462 175.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.51 -44.58 96.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 120.154 -0.618 . . . . 17.89 110.245 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.95 -40.11 92.07 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 118.767 -1.173 . . . . 28.05 109.746 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.08 -46.61 77.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.844 -0.743 . . . . 54.08 111.738 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -65.83 -41.19 92.08 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 120.048 -0.661 . . . . 47.54 111.465 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.28 -41.55 98.57 Favored 'General case' 0 C--O 1.254 1.301 0 C-N-CA 119.817 -0.753 . . . . 40.12 110.976 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.6 m -58.26 -46.97 85.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.843 -0.743 . . . . 26.06 110.623 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -63.55 -39.79 95.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.644 -0.822 . . . . 67.39 111.706 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.63 -37.5 70.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.234 -0.986 . . . . 36.12 110.931 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.23 -36.02 76.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 120.021 -0.672 . . . . 28.42 110.304 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -68.62 -38.61 80.7 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.442 -0.903 . . . . 46.03 110.491 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.8 -43.77 92.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.273 -0.571 . . . . 49.45 110.53 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.64 -46.43 70.53 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.352 0.596 . . . . 26.08 111.154 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 t -68.8 -38.4 79.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.365 -0.534 . . . . 35.05 111.278 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -68.94 -40.63 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.264 -0.974 . . . . 47.93 112.087 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.35 -36.21 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.557 -0.857 . . . . 30.77 110.162 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -70.55 -41.54 72.35 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 118.543 -1.263 . . . . 61.28 111.59 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.16 -41.9 89.47 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.071 -1.052 . . . . 68.5 111.076 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -65.85 -34.58 78.48 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.028 -1.069 . . . . 112.88 110.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mt -70.45 -34.24 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 118.512 -1.275 . . . . 44.41 109.78 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.7 -39.63 88.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.288 -0.965 . . . . 56.5 110.945 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -67.01 -44.55 80.03 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.235 -0.586 . . . . 92.31 111.108 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.91 -51.84 66.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.846 -0.742 . . . . 54.11 111.123 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -57.83 -22.53 48.17 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.175 -0.61 . . . . 72.99 111.053 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -74.95 -44.73 46.83 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.934 -0.306 . . . . 83.25 111.083 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.58 -19.09 65.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.753 1.02 . . . . 85.69 113.753 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.242 0.702 0 CA-C-N 118.811 0.732 . . . . 78.5 111.581 -175.491 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 21.3 m170 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 112.264 0.468 . . . . 65.5 112.264 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -133.19 38.05 3.35 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.462 -0.774 . . . . 33.57 111.574 -169.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 N--CA 1.477 0.898 0 O-C-N 121.568 -0.708 . . . . 64.17 111.539 177.795 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 CA-C-O 120.935 0.306 . . . . 53.27 111.82 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.93 131.08 36.82 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.909 -0.775 . . . . 43.4 108.909 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -107.12 161.02 24.31 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 121.234 0.54 . . . . 30.62 111.532 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -44.1 51.7 Favored 'Trans proline' 0 CA--C 1.515 -0.465 0 CA-C-O 121.256 0.44 . . . . 26.18 112.361 170.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.28 -40.42 71.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.52 . . . . 23.14 111.735 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.03 -33.64 73.6 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 117.64 -1.624 . . . . 34.74 112.238 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -73.4 -40.56 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 C-N-CA 119.86 -0.736 . . . . 20.92 109.327 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -59.06 -39.48 82.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.905 -0.588 . . . . 37.06 111.238 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.74 -15.54 23.78 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.678 1.362 . . . . 21.89 114.678 -171.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -52.89 140.83 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-N 119.985 1.266 . . . . 21.43 108.908 -174.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.63 127.86 39.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.66 -0.7 . . . . 36.86 109.403 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.03 144.99 34.61 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 121.061 0.458 . . . . 31.17 110.103 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 36.9 p -78.94 -177.4 5.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.629 1.204 . . . . 36.65 110.591 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -79.54 161.78 65.73 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 115.018 -0.992 . . . . 105.02 110.598 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 23.7 Cg_exo -65.3 163.2 30.24 Favored 'Trans proline' 0 C--O 1.241 0.635 0 N-CA-C 109.743 -0.907 . . . . 38.42 109.743 173.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -55.89 152.17 37.34 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 N-CA-C 110.408 -0.651 . . . . 40.65 110.408 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mt -55.51 137.53 16.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.371 -0.831 . . . . 63.15 109.017 163.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.31 80.75 0.28 Allowed Glycine 0 N--CA 1.445 -0.708 1 N-CA-C 102.702 -4.159 . . . . 50.34 102.702 -28.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -97.27 172.81 7.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.487 1.115 . . . . 75.18 109.051 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.483 ' NH2' ' O ' ' A' ' 16' ' ' PRO . 63.2 mtp180 -111.2 -37.65 5.25 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 113.944 1.091 . . . . 70.31 113.944 -171.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.98 -166.99 47.25 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-O 122.074 0.819 . . . . 33.85 113.417 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -92.39 134.16 35.2 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.508 1.123 . . . . 31.29 112.481 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -44.28 127.02 5.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.317 0.647 . . . . 27.87 112.38 169.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -83.04 -30.13 28.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.452 -0.499 . . . . 45.79 112.122 -169.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.41 -40.92 96.71 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 120.45 -0.5 . . . . 40.74 111.19 175.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -66.15 -48.09 71.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.986 0.422 . . . . 30.41 111.196 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.67 -45.75 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.041 0.448 . . . . 20.66 110.152 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.41 -51.61 64.35 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.861 -0.524 . . . . 33.29 111.442 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.41 87.39 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.844 -1.142 . . . . 21.15 110.87 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.45 -38.15 77.67 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.045 -1.062 . . . . 27.24 111.244 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.2 -28.79 68.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 119.72 -0.792 . . . . 22.77 110.736 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -67.06 -44.35 80.33 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.374 -0.93 . . . . 33.89 110.914 175.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.76 -47.59 76.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.891 -1.124 . . . . 26.33 110.872 172.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.47 -56.06 10.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.272 0.558 . . . . 25.67 111.033 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.7 -47.85 70.1 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.843 -0.536 . . . . 31.87 111.245 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.01 -45.15 83.27 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 112.252 0.464 . . . . 33.83 112.252 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.09 -37.43 58.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.646 -1.222 . . . . 31.33 111.726 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.65 -47.65 83.73 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 118.808 -1.157 . . . . 36.6 110.174 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.5 m -57.03 -48.54 78.27 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 119.271 -0.972 . . . . 31.35 111.005 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -64.97 -37.38 87.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.035 -0.666 . . . . 37.56 111.079 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.53 -35.93 70.85 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 117.876 -1.53 . . . . 27.4 110.185 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.58 -43.94 96.78 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 C-N-CA 120.406 -0.518 . . . . 36.18 111.149 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.5 -45.1 94.53 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 120.962 0.411 . . . . 56.66 110.946 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.03 -38.08 82.11 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.848 -0.741 . . . . 57.1 110.83 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.69 -43.57 97.57 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.397 -0.521 . . . . 30.26 110.732 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 p -64.67 -33.25 75.52 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 119.271 -0.972 . . . . 41.82 111.413 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.56 -42.68 86.72 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.295 -0.962 . . . . 67.35 111.982 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.53 -42.05 86.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.406 -0.809 . . . . 42.25 110.829 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ttm105 -63.49 -38.49 91.34 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.963 -0.46 . . . . 37.51 111.154 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.6 -43.36 99.0 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.133 0.492 . . . . 77.9 110.581 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 18.6 tpp85 -62.89 -37.51 87.21 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.073 -0.651 . . . . 57.78 110.587 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.77 -43.44 98.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.575 0.702 . . . . 35.79 109.298 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.43 -48.68 78.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 64.71 110.433 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.98 -36.01 74.16 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.972 -0.691 . . . . 75.64 110.676 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.92 -36.26 59.47 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.051 -1.06 . . . . 46.35 110.515 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -65.26 -39.01 92.07 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.475 -0.89 . . . . 59.58 110.637 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -59.04 -25.4 63.68 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.426 0.528 . . . . 79.47 112.426 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -90.43 0.74 57.17 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.15 0.426 . . . . 58.75 112.15 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 118.631 -0.699 . . . . 62.07 110.472 179.245 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 ' B' B ' 101' ' ' HOH . . . . . 0.425 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_