data_3cp1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3cp1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.7 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.529 0.204 . . . . 66.75 111.386 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.79 -46.21 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.657 -0.247 . . . . 59.67 111.006 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -70.69 -31.67 68.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 64.77 111.209 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.51 72.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.52 . . . . 52.75 110.439 171.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -61.2 -31.68 71.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.303 -0.408 . . . . 54.24 111.92 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.94 -43.27 71.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.963 0.727 . . . . 58.83 112.963 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.15 -48.97 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 42.38 110.511 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.93 -36.14 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 42.06 111.067 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -71.33 -33.86 70.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 41.24 110.904 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.09 -32.73 69.32 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.224 -0.989 . . . . 35.68 112.682 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.46 -48.37 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.797 0.332 . . . . 39.45 110.234 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.51 -38.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 33.08 111.434 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -40.86 98.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.916 0.389 . . . . 51.0 110.556 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -67.25 -29.5 69.13 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.194 0.442 . . . . 34.03 112.194 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -69.92 -36.53 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.604 -0.438 . . . . 40.08 110.587 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.91 -40.32 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 36.98 110.719 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -53.12 -52.09 59.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.568 0.699 . . . . 35.37 109.402 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -40.98 95.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 31.84 110.752 -174.765 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.54 -44.08 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 31.53 110.951 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -62.82 -39.86 95.62 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 120.3 -0.56 . . . . 52.04 110.449 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.34 76.9 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.337 0.589 . . . . 29.14 111.175 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.73 -43.0 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.79 -0.641 . . . . 29.38 111.797 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NE2' ' A' ' 73' ' ' GLN . 90.8 mt-10 -61.69 -49.53 76.13 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.024 -0.671 . . . . 50.22 111.715 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.34 -45.76 69.22 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.617 0.599 . . . . 38.47 112.617 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.88 -26.45 68.78 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.702 0.63 . . . . 46.91 112.702 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -69.45 -41.71 75.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.898 -0.321 . . . . 39.98 110.774 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -59.41 -43.68 92.96 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.227 0.537 . . . . 50.08 109.621 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.61 -44.73 93.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.005 -0.543 . . . . 40.43 112.193 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.9 -40.04 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.434 0.635 . . . . 42.0 111.332 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' CA ' ' NE2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.5 -29.98 67.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.468 -0.787 . . . . 55.3 109.858 -179.827 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.93 -42.92 80.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.02 -0.672 . . . . 44.35 110.591 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -69.59 -39.21 77.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.521 -0.472 . . . . 38.97 111.52 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.06 -35.61 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.638 -0.504 . . . . 47.62 109.638 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -72.56 -39.82 67.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 57.64 110.857 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.25 -45.43 91.15 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.582 -0.818 . . . . 57.86 112.348 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.88 -34.51 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 56.85 110.645 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -74.28 -28.54 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 66.83 110.966 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -75.13 -28.97 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 68.66 111.115 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 66.74 110.38 -179.549 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 70.5 111.281 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -66.96 -34.7 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 75.08 111.324 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -61.56 -45.79 92.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.598 . . . . 59.42 111.216 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.12 -38.56 86.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 63.9 112.075 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -65.4 -42.95 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 72.13 112.077 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.86 -38.52 67.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.444 -0.344 . . . . 65.22 110.93 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.6 mm -55.31 -46.02 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 110.096 -0.335 . . . . 47.04 110.096 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.67 -39.13 77.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.961 0.41 . . . . 50.32 111.958 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.63 -40.44 84.61 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.325 -0.55 . . . . 55.99 110.067 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -80.05 -32.59 39.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.415 0.895 . . . . 52.8 113.415 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -63.2 -39.37 94.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 43.92 109.831 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -65.69 -47.38 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.66 -0.7 . . . . 48.78 109.715 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.7 tp -58.02 -45.98 86.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 38.61 111.677 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.3 -40.19 84.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.362 -0.535 . . . . 41.97 111.872 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -67.27 -34.79 78.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 118.974 -1.09 . . . . 42.77 110.953 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -64.89 -45.46 85.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.218 -0.446 . . . . 41.31 110.99 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.71 -35.75 80.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 111.976 0.361 . . . . 35.25 111.976 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.27 -42.4 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.801 -0.181 . . . . 35.7 111.189 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -65.21 -44.07 89.48 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.998 -0.681 . . . . 60.23 111.403 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.46 -37.07 84.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 50.31 111.571 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -64.17 -39.23 93.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.044 -0.262 . . . . 33.77 110.75 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' NE2' ' OE2' ' A' ' 25' ' ' GLU . 88.5 mt-30 -66.11 -44.56 83.98 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 120.595 -0.442 . . . . 44.49 109.95 179.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.96 -48.51 79.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.536 -0.302 . . . . 45.29 110.405 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.44 -32.91 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 119.379 -0.928 . . . . 38.49 111.913 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -63.52 -41.85 98.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.277 0.561 . . . . 36.69 109.704 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.12 -37.89 88.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 54.5 111.697 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -67.75 -48.27 66.89 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.058 0.456 . . . . 57.13 110.415 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -56.45 -40.21 74.42 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.861 -0.609 . . . . 41.05 110.805 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -74.72 -29.89 61.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.422 -0.511 . . . . 53.18 111.335 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -74.59 -37.99 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.365 -0.606 . . . . 65.05 109.365 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -67.16 -38.46 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.955 -0.566 . . . . 65.62 111.215 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.05 -35.33 80.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 54.5 110.042 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.92 -14.53 59.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 59.18 111.837 -175.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.69 -0.671 . . . . 59.72 111.764 -179.383 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 92' ' ' HOH . 83.7 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.529 0.204 . . . . 66.75 111.386 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.79 -46.21 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.657 -0.247 . . . . 59.67 111.006 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.69 -31.67 68.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 64.77 111.209 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.51 72.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.52 . . . . 52.75 110.439 171.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -61.2 -31.68 71.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.303 -0.408 . . . . 54.24 111.92 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.94 -43.27 71.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.963 0.727 . . . . 58.83 112.963 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.15 -48.97 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 42.38 110.511 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.93 -36.14 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 42.06 111.067 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -71.33 -33.86 70.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 41.24 110.904 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.09 -32.73 69.32 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.224 -0.989 . . . . 35.68 112.682 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.46 -48.37 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.797 0.332 . . . . 39.45 110.234 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.51 -38.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 33.08 111.434 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -40.86 98.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.916 0.389 . . . . 51.0 110.556 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -67.25 -29.5 69.13 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.194 0.442 . . . . 34.03 112.194 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -69.92 -36.53 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.604 -0.438 . . . . 40.08 110.587 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.91 -40.32 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 36.98 110.719 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -53.12 -52.09 59.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.568 0.699 . . . . 35.37 109.402 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -40.98 95.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 31.84 110.752 -174.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.54 -44.08 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 31.53 110.951 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -62.82 -39.86 95.62 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 120.3 -0.56 . . . . 52.04 110.449 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.34 76.9 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.337 0.589 . . . . 29.14 111.175 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.73 -43.0 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.79 -0.641 . . . . 29.38 111.797 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.69 -49.53 76.13 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.024 -0.671 . . . . 50.22 111.715 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.34 -45.76 69.22 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.617 0.599 . . . . 38.47 112.617 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.88 -26.45 68.78 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.702 0.63 . . . . 46.91 112.702 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -69.45 -41.71 75.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.898 -0.321 . . . . 39.98 110.774 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -59.41 -43.68 92.96 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.227 0.537 . . . . 50.08 109.621 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.61 -44.73 93.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.005 -0.543 . . . . 40.43 112.193 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.9 -40.04 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.434 0.635 . . . . 42.0 111.332 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -69.5 -29.98 67.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.468 -0.787 . . . . 55.3 109.858 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.93 -42.92 80.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.02 -0.672 . . . . 44.35 110.591 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -69.59 -39.21 77.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.521 -0.472 . . . . 38.97 111.52 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.06 -35.61 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.638 -0.504 . . . . 47.62 109.638 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 86.0 t90 -72.56 -39.82 67.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 57.64 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -65.25 -45.43 91.15 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.582 -0.818 . . . . 57.86 112.348 177.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.88 -34.51 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 56.85 110.645 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 23.2 ttmt -74.28 -28.54 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 66.83 110.966 -177.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' TRP . 98.8 mm-40 -75.13 -28.97 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 68.66 111.115 178.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 37' ' ' GLY . 24.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 66.74 110.38 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 70.5 111.281 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -66.96 -34.7 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 75.08 111.324 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' O ' HG12 ' A' ' 58' ' ' ILE . 85.5 t90 -61.56 -45.79 92.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.598 . . . . 59.42 111.216 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.12 -38.56 86.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 63.9 112.075 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -65.4 -42.95 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 72.13 112.077 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.86 -38.52 67.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.444 -0.344 . . . . 65.22 110.93 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' TRP . 33.6 mm -55.31 -46.02 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 110.096 -0.335 . . . . 47.04 110.096 174.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.67 -39.13 77.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.961 0.41 . . . . 50.32 111.958 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.63 -40.44 84.61 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.325 -0.55 . . . . 55.99 110.067 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -80.05 -32.59 39.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.415 0.895 . . . . 52.8 113.415 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 65' ' ' ILE . 23.5 m -63.2 -39.37 94.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 43.92 109.831 175.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -65.69 -47.38 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.66 -0.7 . . . . 48.78 109.715 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.7 tp -58.02 -45.98 86.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 38.61 111.677 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' THR . 10.6 tp -67.3 -40.19 84.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.362 -0.535 . . . . 41.97 111.872 -174.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -67.27 -34.79 78.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 118.974 -1.09 . . . . 42.77 110.953 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -64.89 -45.46 85.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.218 -0.446 . . . . 41.31 110.99 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.71 -35.75 80.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 111.976 0.361 . . . . 35.25 111.976 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . 0.611 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 47.3 mt -68.27 -42.4 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.801 -0.181 . . . . 35.7 111.189 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -65.21 -44.07 89.48 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.998 -0.681 . . . . 60.23 111.403 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.46 -37.07 84.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 50.31 111.571 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -64.17 -39.23 93.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.044 -0.262 . . . . 33.77 110.75 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . 0.616 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 88.5 mt-30 -66.11 -44.56 83.98 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 120.595 -0.442 . . . . 44.49 109.95 179.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.96 -48.51 79.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.536 -0.302 . . . . 45.29 110.405 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.44 -32.91 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 119.379 -0.928 . . . . 38.49 111.913 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -63.52 -41.85 98.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.277 0.561 . . . . 36.69 109.704 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 44.1 mt-10 -65.12 -37.89 88.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 54.5 111.697 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -67.75 -48.27 66.89 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.058 0.456 . . . . 57.13 110.415 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -56.45 -40.21 74.42 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.861 -0.609 . . . . 41.05 110.805 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -74.72 -29.89 61.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.422 -0.511 . . . . 53.18 111.335 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -74.59 -37.99 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.365 -0.606 . . . . 65.05 109.365 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -67.16 -38.46 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.955 -0.566 . . . . 65.62 111.215 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.05 -35.33 80.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 54.5 110.042 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.92 -14.53 59.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 59.18 111.837 -175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.69 -0.671 . . . . 59.72 111.764 -179.383 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . 0.469 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 92' ' ' HOH . 83.7 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.529 0.204 . . . . 66.75 111.386 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.79 -46.21 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.657 -0.247 . . . . 59.670000000000002 111.006 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -70.69 -31.67 68.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 64.769999999999996 111.209 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.51 72.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.52 . . . . 52.75 110.439 171.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -61.2 -31.68 71.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.303 -0.408 . . . . 54.240000000000002 111.92 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.94 -43.27 71.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.963 0.727 . . . . 58.829999999999998 112.963 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.15 -48.97 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 42.380000000000003 110.511 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.93 -36.14 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 42.060000000000002 111.067 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -71.33 -33.86 70.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 41.240000000000002 110.904 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.09 -32.73 69.32 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.224 -0.989 . . . . 35.68 112.682 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.46 -48.37 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.797 0.332 . . . . 39.450000000000003 110.234 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.51 -38.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 33.079999999999998 111.434 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -40.86 98.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.916 0.389 . . . . 51.0 110.556 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -67.25 -29.5 69.13 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.194 0.442 . . . . 34.030000000000001 112.194 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -69.92 -36.53 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.604 -0.438 . . . . 40.079999999999998 110.587 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.91 -40.32 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 36.979999999999997 110.719 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -53.12 -52.09 59.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.568 0.699 . . . . 35.369999999999997 109.402 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -40.98 95.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 31.84 110.752 -174.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.54 -44.08 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 31.530000000000001 110.951 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -62.82 -39.86 95.62 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 120.3 -0.56 . . . . 52.039999999999999 110.449 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.34 76.9 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.337 0.589 . . . . 29.140000000000001 111.175 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.73 -43.0 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.79 -0.641 . . . . 29.379999999999999 111.797 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.69 -49.53 76.13 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.024 -0.671 . . . . 50.219999999999999 111.715 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.34 -45.76 69.22 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.617 0.599 . . . . 38.469999999999999 112.617 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.88 -26.45 68.78 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.702 0.63 . . . . 46.909999999999997 112.702 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -69.45 -41.71 75.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.898 -0.321 . . . . 39.979999999999997 110.774 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -59.41 -43.68 92.96 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.227 0.537 . . . . 50.079999999999998 109.621 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.61 -44.73 93.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.005 -0.543 . . . . 40.43 112.193 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.9 -40.04 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.434 0.635 . . . . 42.0 111.332 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.5 -29.98 67.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.468 -0.787 . . . . 55.299999999999997 109.858 -179.827 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.93 -42.92 80.29 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.02 -0.672 . . . . 44.350000000000001 110.591 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -69.59 -39.21 77.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.521 -0.472 . . . . 38.969999999999999 111.52 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.06 -35.61 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.638 -0.504 . . . . 47.619999999999997 109.638 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 86.0 t90 -72.56 -39.82 67.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 57.640000000000001 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -65.25 -45.43 91.15 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.582 -0.818 . . . . 57.859999999999999 112.348 177.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.88 -34.51 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 56.850000000000001 110.645 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 23.2 ttmt -74.28 -28.54 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 66.829999999999998 110.966 -177.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 36' ' ' TRP . 98.8 mm-40 -75.13 -28.97 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 68.659999999999997 111.115 178.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 37' ' ' GLY . 24.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 66.739999999999995 110.38 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 70.5 111.281 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -66.96 -34.7 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 75.079999999999998 111.324 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' O ' HG12 ' A' ' 58' ' ' ILE . 85.5 t90 -61.56 -45.79 92.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.598 . . . . 59.420000000000002 111.216 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.12 -38.56 86.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 63.899999999999999 112.075 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -65.4 -42.95 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 72.129999999999995 112.077 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.86 -38.52 67.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.444 -0.344 . . . . 65.219999999999999 110.93 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' TRP . 33.6 mm -55.31 -46.02 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 110.096 -0.335 . . . . 47.039999999999999 110.096 174.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.67 -39.13 77.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.961 0.41 . . . . 50.32 111.958 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.63 -40.44 84.61 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.325 -0.55 . . . . 55.990000000000002 110.067 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -80.05 -32.59 39.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.415 0.895 . . . . 52.799999999999997 113.415 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 65' ' ' ILE . 23.5 m -63.2 -39.37 94.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 43.920000000000002 109.831 175.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -65.69 -47.38 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.66 -0.7 . . . . 48.780000000000001 109.715 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.7 tp -58.02 -45.98 86.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 38.609999999999999 111.677 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' THR . 10.6 tp -67.3 -40.19 84.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.362 -0.535 . . . . 41.969999999999999 111.872 -174.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -67.27 -34.79 78.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 118.974 -1.09 . . . . 42.770000000000003 110.953 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -64.89 -45.46 85.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.218 -0.446 . . . . 41.310000000000002 110.99 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.71 -35.75 80.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 111.976 0.361 . . . . 35.25 111.976 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.611 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 47.3 mt -68.27 -42.4 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.801 -0.181 . . . . 35.700000000000003 111.189 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -65.21 -44.07 89.48 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.998 -0.681 . . . . 60.229999999999997 111.403 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.46 -37.07 84.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 50.310000000000002 111.571 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -64.17 -39.23 93.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.044 -0.262 . . . . 33.770000000000003 110.75 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.616 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 88.5 mt-30 -66.11 -44.56 83.98 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 120.595 -0.442 . . . . 44.490000000000002 109.95 179.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.96 -48.51 79.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.536 -0.302 . . . . 45.289999999999999 110.405 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.44 -32.91 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 119.379 -0.928 . . . . 38.490000000000002 111.913 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -63.52 -41.85 98.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.277 0.561 . . . . 36.689999999999998 109.704 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 44.1 mt-10 -65.12 -37.89 88.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 54.5 111.697 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -67.75 -48.27 66.89 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.058 0.456 . . . . 57.130000000000003 110.415 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -56.45 -40.21 74.42 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.861 -0.609 . . . . 41.049999999999997 110.805 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -74.72 -29.89 61.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.422 -0.511 . . . . 53.18 111.335 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -74.59 -37.99 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.365 -0.606 . . . . 65.049999999999997 109.365 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -67.16 -38.46 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.955 -0.566 . . . . 65.620000000000005 111.215 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.05 -35.33 80.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 54.5 110.042 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.92 -14.53 59.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 59.18 111.837 -175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.69 -0.671 . . . . 59.719999999999999 111.764 -179.383 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . 0.469 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_