data_1h4z_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 1h4z _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.032 -0.729 . . . . 28.2 109.032 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -163.56 160.44 23.07 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 109.587 -0.523 . . . . 29.35 109.587 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -144.08 152.3 40.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.532 -1.655 . . . . 31.04 106.532 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.2 mt -125.91 138.61 53.79 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 104.856 -2.275 . . . . 35.41 104.856 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.781 ' OE1' ' NH2' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -155.49 100.7 2.13 Favored 'General case' 0 C--N 1.326 -0.45 1 C-N-CA 108.131 -5.428 . . . . 46.53 110.86 176.277 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -38.18 118.47 0.7 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 117.619 -1.633 . . . . 42.23 109.861 175.456 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 30.4 m -124.27 3.97 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 2 O-C-N 111.498 -7.001 . . . . 42.4 111.935 -174.335 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . 0.708 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 176.7 139.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.591 -0.444 . . . . 43.56 110.929 -176.354 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 9' ' ' THR . 41.6 ttp180 -14.31 100.96 0.01 OUTLIER 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.942 -0.572 . . . . 47.11 111.631 176.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 65.32 10.63 6.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 115.195 1.554 . . . . 45.43 115.195 176.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . 0.708 ' N ' ' O ' ' A' ' 9' ' ' THR . 42.9 m -111.5 130.98 55.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.616 -1.234 . . . . 35.28 112.132 179.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.63 135.81 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.677 -0.692 . . . . 33.43 112.606 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -101.93 125.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.067 -0.97 . . . . 31.66 109.049 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mt -104.99 102.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.369 0.604 . . . . 31.05 109.551 171.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . 0.781 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 8.6 mtt180 -84.66 126.96 33.82 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.763 -1.575 . . . . 38.15 109.223 177.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -107.6 138.72 43.31 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.916 -1.883 . . . . 34.22 105.916 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 3.7 t80 -149.26 127.1 11.81 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.59 -0.844 . . . . 33.14 109.745 -175.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.82 -130.83 9.96 Favored Glycine 0 N--CA 1.449 -0.471 0 O-C-N 123.616 0.572 . . . . 34.44 113.887 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -104.59 125.82 51.09 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.853 -0.795 . . . . 40.0 108.853 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.9 107.96 19.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.593 -0.892 . . . . 39.72 108.593 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . 0.805 ' OD2' ' O ' ' A' 2004 ' ' HOH . 13.7 p30 -76.29 160.85 29.25 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.028 0.751 . . . . 46.19 113.028 -179.269 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -54.22 -31.67 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.673 -0.862 . . . . 45.02 108.673 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -69.56 -33.44 72.76 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.311 -0.555 . . . . 44.27 111.856 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . -74.14 -38.93 63.61 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 120.404 -0.518 . . . . 42.67 110.021 -177.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.8 -40.58 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.085 -2.191 . . . . 41.48 105.085 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.28 -48.06 79.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.636 -1.166 . . . . 47.17 112.616 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -58.12 -42.48 85.85 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.714 0.769 . . . . 45.56 109.249 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.81 -49.19 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.452 -1.249 . . . . 39.29 112.38 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -57.78 -28.93 64.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.913 0.863 . . . . 40.0 109.807 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.49 11.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 118.999 -1.081 . . . . 37.57 111.141 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -69.25 -41.9 76.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.324 1.602 . . . . 44.65 115.324 -171.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.4 mm -72.71 -50.33 34.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 124.012 0.82 . . . . 35.29 111.623 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -54.77 -36.91 65.36 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.433 -1.307 . . . . 34.96 109.871 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -64.15 -51.49 63.64 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 118.273 -1.371 . . . . 34.29 107.391 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.98 68.12 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.648 -1.615 . . . . 34.13 111.459 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -69.2 -50.06 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.192 -0.603 . . . . 34.57 109.811 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -61.56 -26.99 68.31 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 122.702 0.401 . . . . 34.21 110.283 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -85.48 -12.16 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 34.52 111.445 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.67 14.29 80.08 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.167 -1.016 . . . . 35.47 112.676 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.48 42.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.59 -0.522 . . . . 35.73 109.59 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.94 127.37 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 N-CA-C 113.432 0.901 . . . . 35.02 113.432 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -131.08 7.34 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 35.24 111.399 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.9 m -148.59 128.38 13.38 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.048 -1.061 . . . . 32.67 108.631 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.79 125.76 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 N-CA-C 108.436 -0.95 . . . . 31.09 108.436 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.41 119.53 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 102.87 -3.011 . . . . 30.28 102.87 170.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -97.41 113.12 24.74 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.196 -1.409 . . . . 31.62 107.196 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -91.89 107.74 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 117.592 -1.643 . . . . 34.01 110.807 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -92.49 -14.79 27.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.23 1.567 . . . . 39.01 115.23 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.617 0.0 OUTLIER -29.12 -46.93 0.05 Allowed 'General case' 0 C--N 1.304 -1.404 1 N-CA-C 135.606 9.113 . . . . 40.09 135.606 176.559 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -97.44 -2.25 42.52 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.9 2.48 . . . . 41.05 109.925 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.6 135.6 37.29 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.274 -1.75 . . . . 36.09 106.274 -170.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -103.12 -23.11 13.68 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 117.668 -1.613 . . . . 32.24 110.531 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . 0.682 ' CD2' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -178.17 133.4 0.15 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 114.094 1.146 . . . . 39.94 114.094 -176.636 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . 0.91 ' CE ' ' CA ' ' A' ' 59' ' ' GLY . 16.0 ptm -126.44 153.53 44.91 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.092 -2.188 . . . . 41.99 105.092 173.414 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -83.66 177.25 8.47 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.214 -2.143 . . . . 34.96 105.214 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -30.76 28.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 116.572 2.064 . . . . 31.27 116.572 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 p -64.61 -17.01 63.61 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.615 0.968 . . . . 32.14 113.615 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . 0.91 ' CA ' ' CE ' ' A' ' 55' ' ' MET . . . -68.77 -34.45 77.79 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 108.906 -1.678 . . . . 34.29 108.906 176.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.2 -43.68 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 N-CA-C 108.391 -0.966 . . . . 33.45 108.391 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.36 -32.0 62.88 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 109.072 -1.611 . . . . 33.26 109.072 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 tp -55.75 -51.27 67.93 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 105.407 -2.072 . . . . 34.45 105.407 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.75 -46.33 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 112.571 0.582 . . . . 32.81 112.571 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mt -67.33 -28.48 68.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.343 0.497 . . . . 36.45 112.343 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.48 -54.03 31.8 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 108.968 -1.653 . . . . 34.25 108.968 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -30.79 65.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 112.191 0.441 . . . . 35.76 112.191 -179.901 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.1 mtp -63.43 -49.89 71.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.222 -0.445 . . . . 42.65 110.024 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' NH1' ' OE1' ' A' ' 71' ' ' GLU . 6.1 mmp_? -61.61 -31.54 71.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.209 -1.034 . . . . 46.88 108.209 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.74 -42.42 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.019 -0.537 . . . . 40.12 110.353 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.65 -40.6 84.55 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.983 -0.687 . . . . 40.23 111.365 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . 0.621 ' OE1' ' NH1' ' A' ' 68' ' ' ARG . 4.1 tt0 -46.05 -43.45 14.53 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 118.78 -1.168 . . . . 44.72 111.207 -176.886 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.99 -24.37 63.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 116.161 1.912 . . . . 38.81 116.161 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.03 16.31 5.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.321 -0.992 . . . . 37.64 108.321 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.4 31.68 17.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.192 -1.367 . . . . 35.81 110.422 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.02 -176.59 50.98 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.026 -0.988 . . . . 34.06 110.644 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -145.32 151.39 38.25 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 112.881 0.697 . . . . 39.23 112.881 -176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.9 m -119.78 140.94 49.96 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.845 1.341 . . . . 33.6 112.901 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.41 130.17 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.242 -0.89 . . . . 34.44 109.768 171.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' TRP . 82.1 mt -101.35 115.85 31.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.275 -2.12 . . . . 36.44 105.275 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.3 tp -109.02 111.36 22.97 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 113.815 1.043 . . . . 35.55 113.815 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . 0.669 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 65.3 m-20 73.03 39.0 0.11 Allowed Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 114.05 1.13 . . . . 36.34 114.05 177.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 81' ' ' ASN . 7.2 Cg_endo -59.98 137.84 78.48 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.939 3.76 . . . . 37.11 111.045 169.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . 0.818 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 50.5 p -74.85 -150.14 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 118.868 -1.133 . . . . 37.66 110.2 171.783 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . 0.818 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 1.2 Cg_endo -82.69 -62.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.588 0 O-C-N 117.486 -1.902 . . . . 37.79 110.642 -169.586 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . 0.662 ' O ' ' N ' ' A' ' 89' ' ' VAL . 3.0 p -48.06 -59.52 3.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.897 -1.52 . . . . 38.72 106.897 -179.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' MET . . . . . 0.518 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 3.0 mmt -41.71 -58.35 2.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.878 0.736 . . . . 39.7 112.542 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -64.28 -37.53 87.83 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 112.217 -3.793 . . . . 40.0 111.2 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -63.63 -47.14 82.58 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 118.471 -1.292 . . . . 40.0 110.799 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 85' ' ' THR . 53.5 t -53.77 -32.53 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.12 -0.946 . . . . 37.2 111.147 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -92.13 -44.48 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 116.467 -2.093 . . . . 39.03 111.396 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -47.41 -70.54 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 118.49 -1.284 . . . . 40.0 110.477 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . 0.901 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.222 0 O-C-N 116.873 -3.642 . . . . 40.83 111.559 172.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 116.474 1.35 . . . . 41.43 116.474 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.63 -174.85 1.9 Allowed 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 123.254 2.636 . . . . 41.11 114.399 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TRP . . . . . 0.427 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.8 m95 -98.02 124.39 42.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.893 -1.048 . . . . 43.21 109.293 173.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.96 125.25 53.51 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.76 1.267 . . . . 43.06 111.985 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.9 ptp -141.7 120.16 12.4 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 115.642 -2.423 . . . . 39.55 111.115 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.57 98.67 1.17 Allowed 'General case' 0 C--N 1.343 0.306 0 CA-C-O 122.367 1.08 . . . . 47.06 111.622 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -157.06 -177.45 6.63 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 114.942 -1.027 . . . . 37.81 111.477 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.0 p -89.93 172.68 8.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.925 -1.509 . . . . 36.9 106.925 175.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -66.12 -45.75 79.99 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-O 118.53 -0.748 . . . . 41.4 109.842 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.63 -49.53 76.14 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.861 -1.903 . . . . 43.85 105.861 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.48 -58.44 6.27 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.059 0.849 . . . . 34.23 109.289 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.95 -43.82 50.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.23 -0.588 . . . . 35.17 112.422 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.8 mt -71.99 -45.02 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 113.346 0.869 . . . . 37.09 113.346 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -47.27 -49.05 24.44 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 106.093 -1.817 . . . . 41.61 106.093 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -59.34 -38.53 80.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.418 -1.265 . . . . 38.51 112.466 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.94 -37.05 71.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 112.773 0.657 . . . . 38.32 112.773 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . 0.51 ' NH2' ' OG1' ' A' ' 9' ' ' THR . 0.7 OUTLIER -58.21 -42.4 86.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.577 -0.449 . . . . 47.52 110.347 177.655 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . 1.172 ' O ' ' CG1' ' A' ' 114' ' ' ILE . . . -67.09 154.72 52.83 Favored Glycine 0 C--O 1.22 -0.738 0 N-CA-C 107.666 -2.174 . . . . 39.53 107.666 175.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ILE . . . . . 1.172 ' CG1' ' O ' ' A' ' 113' ' ' GLY . 40.3 mt . . . . . 0 N--CA 1.475 0.783 0 CA-C-N 118.671 1.235 . . . . 39.92 110.937 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . 0.805 ' O ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.032 -0.729 . . . . 28.2 109.032 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -163.56 160.44 23.07 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 109.587 -0.523 . . . . 29.35 109.587 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -144.08 152.3 40.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.532 -1.655 . . . . 31.04 106.532 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.2 mt -125.91 138.61 53.79 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 104.856 -2.275 . . . . 35.41 104.856 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.819 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -155.49 100.7 2.13 Favored 'General case' 0 C--N 1.326 -0.45 1 C-N-CA 108.131 -5.428 . . . . 46.53 110.86 176.277 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 7' ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -38.18 118.47 0.7 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 117.619 -1.633 . . . . 42.23 109.861 175.456 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 6' ' ' GLU . 30.4 m -124.27 3.97 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 2 O-C-N 111.498 -7.001 . . . . 42.4 111.935 -174.335 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 176.7 139.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.591 -0.444 . . . . 43.56 110.929 -176.354 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 9' ' ' THR . 41.6 ttp180 -14.31 100.96 0.01 OUTLIER 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.942 -0.572 . . . . 47.11 111.631 176.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 66.0 mt-10 65.32 10.63 6.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 115.195 1.554 . . . . 45.43 115.195 176.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . 0.636 ' N ' ' O ' ' A' ' 9' ' ' THR . 42.9 m -111.5 130.98 55.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.616 -1.234 . . . . 35.28 112.132 179.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.63 135.81 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.677 -0.692 . . . . 33.43 112.606 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -101.93 125.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.067 -0.97 . . . . 31.66 109.049 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HD11 HG13 ' A' ' 33' ' ' ILE . 14.5 mt -104.99 102.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.369 0.604 . . . . 31.05 109.551 171.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.726 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 8.6 mtt180 -84.66 126.96 33.82 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.763 -1.575 . . . . 38.15 109.223 177.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -107.6 138.72 43.31 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.916 -1.883 . . . . 34.22 105.916 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 3.7 t80 -149.26 127.1 11.81 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.59 -0.844 . . . . 33.14 109.745 -175.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.82 -130.83 9.96 Favored Glycine 0 N--CA 1.449 -0.471 0 O-C-N 123.616 0.572 . . . . 34.44 113.887 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -104.59 125.82 51.09 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.853 -0.795 . . . . 40.0 108.853 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.9 107.96 19.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.593 -0.892 . . . . 39.72 108.593 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . 0.805 ' OD2' ' O ' ' A' 2004 ' ' HOH . 13.7 p30 -76.29 160.85 29.25 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.028 0.751 . . . . 46.19 113.028 -179.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.22 -31.67 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.673 -0.862 . . . . 45.02 108.673 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -69.56 -33.44 72.76 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.311 -0.555 . . . . 44.27 111.856 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . -74.14 -38.93 63.61 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 120.404 -0.518 . . . . 42.67 110.021 -177.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.8 -40.58 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.085 -2.191 . . . . 41.48 105.085 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.28 -48.06 79.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.636 -1.166 . . . . 47.17 112.616 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -58.12 -42.48 85.85 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.714 0.769 . . . . 45.56 109.249 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.81 -49.19 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.452 -1.249 . . . . 39.29 112.38 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -57.78 -28.93 64.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.913 0.863 . . . . 40.0 109.807 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.49 11.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 118.999 -1.081 . . . . 37.57 111.141 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -69.25 -41.9 76.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.324 1.602 . . . . 44.65 115.324 -171.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG13 HD11 ' A' ' 15' ' ' ILE . 13.4 mm -72.71 -50.33 34.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 124.012 0.82 . . . . 35.29 111.623 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -54.77 -36.91 65.36 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.433 -1.307 . . . . 34.96 109.871 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -64.15 -51.49 63.64 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 118.273 -1.371 . . . . 34.29 107.391 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.98 68.12 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.648 -1.615 . . . . 34.13 111.459 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -69.2 -50.06 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.192 -0.603 . . . . 34.57 109.811 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -61.56 -26.99 68.31 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 122.702 0.401 . . . . 34.21 110.283 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -85.48 -12.16 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 34.52 111.445 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.67 14.29 80.08 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.167 -1.016 . . . . 35.47 112.676 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HE1' ' A' ' 7' ' ' MET . . . -82.11 -18.48 42.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.59 -0.522 . . . . 35.73 109.59 177.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.94 127.37 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 N-CA-C 113.432 0.901 . . . . 35.02 113.432 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -131.08 7.34 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 35.24 111.399 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.9 m -148.59 128.38 13.38 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.048 -1.061 . . . . 32.67 108.631 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG21 ' NE1' ' A' ' 47' ' ' TRP . 65.0 mt -121.79 125.76 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 N-CA-C 108.436 -0.95 . . . . 31.09 108.436 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . 0.747 HG12 ' CG2' ' A' ' 78' ' ' ILE . 96.4 mt -104.41 119.53 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 102.87 -3.011 . . . . 30.28 102.87 170.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TRP . . . . . 0.408 ' NE1' HG21 ' A' ' 45' ' ' ILE . 86.1 m95 -97.41 113.12 24.74 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.196 -1.409 . . . . 31.62 107.196 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -91.89 107.74 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 117.592 -1.643 . . . . 34.01 110.807 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' HE2' HD22 ' A' ' 79' ' ' LEU . 68.6 m-85 -92.49 -14.79 27.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.23 1.567 . . . . 39.01 115.23 -177.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.617 0.0 OUTLIER -29.12 -46.93 0.05 Allowed 'General case' 0 C--N 1.304 -1.404 1 N-CA-C 135.606 9.113 . . . . 40.09 135.606 176.559 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -97.44 -2.25 42.52 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.9 2.48 . . . . 41.05 109.925 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.6 135.6 37.29 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.274 -1.75 . . . . 36.09 106.274 -170.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -103.12 -23.11 13.68 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 117.668 -1.613 . . . . 32.24 110.531 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . 0.682 ' CD2' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -178.17 133.4 0.15 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 114.094 1.146 . . . . 39.94 114.094 -176.636 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . 1.291 ' CE ' ' HA3' ' A' ' 59' ' ' GLY . 16.0 ptm -126.44 153.53 44.91 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.092 -2.188 . . . . 41.99 105.092 173.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -83.66 177.25 8.47 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.214 -2.143 . . . . 34.96 105.214 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -30.76 28.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 116.572 2.064 . . . . 31.27 116.572 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 p -64.61 -17.01 63.61 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.615 0.968 . . . . 32.14 113.615 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . 1.291 ' HA3' ' CE ' ' A' ' 55' ' ' MET . . . -68.77 -34.45 77.79 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 108.906 -1.678 . . . . 34.29 108.906 176.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.2 -43.68 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 N-CA-C 108.391 -0.966 . . . . 33.45 108.391 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.36 -32.0 62.88 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 109.072 -1.611 . . . . 33.26 109.072 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 59' ' ' GLY . 35.8 tp -55.75 -51.27 67.93 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 105.407 -2.072 . . . . 34.45 105.407 -179.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.75 -46.33 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 112.571 0.582 . . . . 32.81 112.571 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mt -67.33 -28.48 68.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.343 0.497 . . . . 36.45 112.343 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . 0.542 ' HA3' ' NH1' ' A' ' 66' ' ' ARG . . . -64.48 -54.03 31.8 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 108.968 -1.653 . . . . 34.25 108.968 179.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . 0.542 ' NH1' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -57.53 -30.79 65.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 112.191 0.441 . . . . 35.76 112.191 -179.901 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.1 mtp -63.43 -49.89 71.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.222 -0.445 . . . . 42.65 110.024 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' NH1' ' OE1' ' A' ' 71' ' ' GLU . 6.1 mmp_? -61.61 -31.54 71.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.209 -1.034 . . . . 46.88 108.209 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.74 -42.42 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.019 -0.537 . . . . 40.12 110.353 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.65 -40.6 84.55 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.983 -0.687 . . . . 40.23 111.365 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . 0.621 ' OE1' ' NH1' ' A' ' 68' ' ' ARG . 4.1 tt0 -46.05 -43.45 14.53 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 118.78 -1.168 . . . . 44.72 111.207 -176.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.99 -24.37 63.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 116.161 1.912 . . . . 38.81 116.161 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.03 16.31 5.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.321 -0.992 . . . . 37.64 108.321 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.4 31.68 17.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.192 -1.367 . . . . 35.81 110.422 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.02 -176.59 50.98 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.026 -0.988 . . . . 34.06 110.644 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -145.32 151.39 38.25 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 112.881 0.697 . . . . 39.23 112.881 -176.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.9 m -119.78 140.94 49.96 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.845 1.341 . . . . 33.6 112.901 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . 0.747 ' CG2' HG12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.41 130.17 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.242 -0.89 . . . . 34.44 109.768 171.21 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . 0.64 ' CD1' ' HG2' ' A' ' 97' ' ' PRO . 82.1 mt -101.35 115.85 31.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.275 -2.12 . . . . 36.44 105.275 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 100' ' ' MET . 27.3 tp -109.02 111.36 22.97 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 113.815 1.043 . . . . 35.55 113.815 -170.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . 0.669 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 65.3 m-20 73.03 39.0 0.11 Allowed Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 114.05 1.13 . . . . 36.34 114.05 177.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 81' ' ' ASN . 7.2 Cg_endo -59.98 137.84 78.48 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.939 3.76 . . . . 37.11 111.045 169.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . 1.101 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 50.5 p -74.85 -150.14 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 118.868 -1.133 . . . . 37.66 110.2 171.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . 1.101 ' HD3' ' HB2' ' A' ' 83' ' ' SER . 1.2 Cg_endo -82.69 -62.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.588 0 O-C-N 117.486 -1.902 . . . . 37.79 110.642 -169.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 89' ' ' VAL . 3.0 p -48.06 -59.52 3.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.897 -1.52 . . . . 38.72 106.897 -179.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' MET . . . . . 0.518 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 3.0 mmt -41.71 -58.35 2.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.878 0.736 . . . . 39.7 112.542 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -64.28 -37.53 87.83 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 112.217 -3.793 . . . . 40.0 111.2 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -63.63 -47.14 82.58 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 118.471 -1.292 . . . . 40.0 110.799 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' THR . 53.5 t -53.77 -32.53 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.12 -0.946 . . . . 37.2 111.147 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -92.13 -44.48 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 116.467 -2.093 . . . . 39.03 111.396 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -47.41 -70.54 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 118.49 -1.284 . . . . 40.0 110.477 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . 1.002 ' C ' ' HD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.222 0 O-C-N 116.873 -3.642 . . . . 40.83 111.559 172.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . 0.461 ' HA2' ' HD3' ' A' ' 97' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 116.474 1.35 . . . . 41.43 116.474 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PRO . . . . . 0.64 ' HG2' ' CD1' ' A' ' 79' ' ' LEU . 1.2 Cg_endo -84.63 -174.85 1.9 Allowed 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 123.254 2.636 . . . . 41.11 114.399 179.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.02 124.39 42.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.893 -1.048 . . . . 43.21 109.293 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HG2' ' HG3' ' A' ' 82' ' ' PRO . 3.0 mtm -110.96 125.25 53.51 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.76 1.267 . . . . 43.06 111.985 174.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . 0.541 ' HG2' HD11 ' A' ' 78' ' ' ILE . 3.9 ptp -141.7 120.16 12.4 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 115.642 -2.423 . . . . 39.55 111.115 177.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.57 98.67 1.17 Allowed 'General case' 0 C--N 1.343 0.306 0 CA-C-O 122.367 1.08 . . . . 47.06 111.622 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -157.06 -177.45 6.63 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 114.942 -1.027 . . . . 37.81 111.477 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . 0.793 ' OG1' ' HG3' ' A' ' 106' ' ' GLU . 30.0 p -89.93 172.68 8.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.925 -1.509 . . . . 36.9 106.925 175.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -66.12 -45.75 79.99 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-O 118.53 -0.748 . . . . 41.4 109.842 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.63 -49.53 76.14 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.861 -1.903 . . . . 43.85 105.861 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . 0.793 ' HG3' ' OG1' ' A' ' 103' ' ' THR . 23.9 mt-10 -51.48 -58.44 6.27 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.059 0.849 . . . . 34.23 109.289 178.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.95 -43.82 50.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.23 -0.588 . . . . 35.17 112.422 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ILE . . . . . 0.476 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 50.8 mt -71.99 -45.02 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 113.346 0.869 . . . . 37.09 113.346 -177.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -47.27 -49.05 24.44 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 106.093 -1.817 . . . . 41.61 106.093 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -59.34 -38.53 80.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.418 -1.265 . . . . 38.51 112.466 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.94 -37.05 71.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 112.773 0.657 . . . . 38.32 112.773 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.51 ' NH2' ' OG1' ' A' ' 9' ' ' THR . 0.7 OUTLIER -58.21 -42.4 86.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.577 -0.449 . . . . 47.52 110.347 177.655 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . 1.182 ' O ' HG13 ' A' ' 114' ' ' ILE . . . -67.09 154.72 52.83 Favored Glycine 0 C--O 1.22 -0.738 0 N-CA-C 107.666 -2.174 . . . . 39.53 107.666 175.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ILE . . . . . 1.182 HG13 ' O ' ' A' ' 113' ' ' GLY . 40.3 mt . . . . . 0 N--CA 1.475 0.783 0 CA-C-N 118.671 1.235 . . . . 39.92 110.937 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . 0.805 ' O ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.032 -0.729 . . . . 28.2 109.032 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -163.56 160.44 23.07 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 109.587 -0.523 . . . . 29.35 109.587 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -144.08 152.3 40.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.532 -1.655 . . . . 31.04 106.532 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.2 mt -125.91 138.61 53.79 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 104.856 -2.275 . . . . 35.41 104.856 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.819 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -155.49 100.7 2.13 Favored 'General case' 0 C--N 1.326 -0.45 1 C-N-CA 108.131 -5.428 . . . . 46.53 110.86 176.277 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -38.18 118.47 0.7 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 117.619 -1.633 . . . . 42.23 109.861 175.456 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 6' ' ' GLU . 30.4 m -124.27 3.97 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 2 O-C-N 111.498 -7.001 . . . . 42.4 111.935 -174.335 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 176.7 139.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.591 -0.444 . . . . 43.56 110.929 -176.354 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 9' ' ' THR . 41.6 ttp180 -14.31 100.96 0.01 OUTLIER 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.942 -0.572 . . . . 47.11 111.631 176.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 66.0 mt-10 65.32 10.63 6.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 115.195 1.554 . . . . 45.43 115.195 176.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . 0.636 ' N ' ' O ' ' A' ' 9' ' ' THR . 42.9 m -111.5 130.98 55.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.616 -1.234 . . . . 35.28 112.132 179.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.63 135.81 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.677 -0.692 . . . . 33.43 112.606 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -101.93 125.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.067 -0.97 . . . . 31.66 109.049 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HD11 HG13 ' A' ' 33' ' ' ILE . 14.5 mt -104.99 102.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.369 0.604 . . . . 31.05 109.551 171.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.726 ' NH2' ' OE1' ' A' ' 6' ' ' GLU . 8.6 mtt180 -84.66 126.96 33.82 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.763 -1.575 . . . . 38.15 109.223 177.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -107.6 138.72 43.31 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.916 -1.883 . . . . 34.22 105.916 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 3.7 t80 -149.26 127.1 11.81 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.59 -0.844 . . . . 33.14 109.745 -175.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.82 -130.83 9.96 Favored Glycine 0 N--CA 1.449 -0.471 0 O-C-N 123.616 0.572 . . . . 34.44 113.887 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -104.59 125.82 51.09 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.853 -0.795 . . . . 40.0 108.853 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.9 107.96 19.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.593 -0.892 . . . . 39.72 108.593 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.805 ' OD2' ' O ' ' A' 2004 ' ' HOH . 13.7 p30 -76.29 160.85 29.25 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.028 0.751 . . . . 46.19 113.028 -179.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -54.22 -31.67 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.673 -0.862 . . . . 45.02 108.673 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -69.56 -33.44 72.76 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.311 -0.555 . . . . 44.27 111.856 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . -74.14 -38.93 63.61 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 120.404 -0.518 . . . . 42.67 110.021 -177.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.8 -40.58 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.085 -2.191 . . . . 41.48 105.085 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.28 -48.06 79.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.636 -1.166 . . . . 47.17 112.616 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -58.12 -42.48 85.85 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.714 0.769 . . . . 45.56 109.249 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.81 -49.19 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.452 -1.249 . . . . 39.29 112.38 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -57.78 -28.93 64.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.913 0.863 . . . . 40.0 109.807 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.49 11.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 118.999 -1.081 . . . . 37.57 111.141 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -69.25 -41.9 76.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.324 1.602 . . . . 44.65 115.324 -171.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG13 HD11 ' A' ' 15' ' ' ILE . 13.4 mm -72.71 -50.33 34.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 124.012 0.82 . . . . 35.29 111.623 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -54.77 -36.91 65.36 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.433 -1.307 . . . . 34.96 109.871 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -64.15 -51.49 63.64 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 118.273 -1.371 . . . . 34.29 107.391 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.98 68.12 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.648 -1.615 . . . . 34.13 111.459 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -69.2 -50.06 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.192 -0.603 . . . . 34.57 109.811 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -61.56 -26.99 68.31 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 122.702 0.401 . . . . 34.21 110.283 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -85.48 -12.16 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 34.52 111.445 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.67 14.29 80.08 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.167 -1.016 . . . . 35.47 112.676 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HE1' ' A' ' 7' ' ' MET . . . -82.11 -18.48 42.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.59 -0.522 . . . . 35.73 109.59 177.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.94 127.37 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 N-CA-C 113.432 0.901 . . . . 35.02 113.432 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -131.08 7.34 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 35.24 111.399 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.9 m -148.59 128.38 13.38 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.048 -1.061 . . . . 32.67 108.631 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG21 ' NE1' ' A' ' 47' ' ' TRP . 65.0 mt -121.79 125.76 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 N-CA-C 108.436 -0.95 . . . . 31.09 108.436 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.747 HG12 ' CG2' ' A' ' 78' ' ' ILE . 96.4 mt -104.41 119.53 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 102.87 -3.011 . . . . 30.28 102.87 170.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.408 ' NE1' HG21 ' A' ' 45' ' ' ILE . 86.1 m95 -97.41 113.12 24.74 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.196 -1.409 . . . . 31.62 107.196 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -91.89 107.74 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 117.592 -1.643 . . . . 34.01 110.807 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' HE2' HD22 ' A' ' 79' ' ' LEU . 68.6 m-85 -92.49 -14.79 27.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.23 1.567 . . . . 39.01 115.23 -177.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.617 0.0 OUTLIER -29.12 -46.93 0.05 Allowed 'General case' 0 C--N 1.304 -1.404 1 N-CA-C 135.606 9.113 . . . . 40.09 135.606 176.559 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -97.44 -2.25 42.52 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.9 2.48 . . . . 41.05 109.925 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.6 135.6 37.29 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.274 -1.75 . . . . 36.09 106.274 -170.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -103.12 -23.11 13.68 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 117.668 -1.613 . . . . 32.24 110.531 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.682 ' CD2' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -178.17 133.4 0.15 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 114.094 1.146 . . . . 39.94 114.094 -176.636 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . 1.291 ' CE ' ' HA3' ' A' ' 59' ' ' GLY . 16.0 ptm -126.44 153.53 44.91 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.092 -2.188 . . . . 41.99 105.092 173.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -83.66 177.25 8.47 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.214 -2.143 . . . . 34.96 105.214 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -30.76 28.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 116.572 2.064 . . . . 31.27 116.572 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 p -64.61 -17.01 63.61 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.615 0.968 . . . . 32.14 113.615 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . 1.291 ' HA3' ' CE ' ' A' ' 55' ' ' MET . . . -68.77 -34.45 77.79 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 108.906 -1.678 . . . . 34.29 108.906 176.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.2 -43.68 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 N-CA-C 108.391 -0.966 . . . . 33.45 108.391 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.36 -32.0 62.88 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 109.072 -1.611 . . . . 33.26 109.072 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 59' ' ' GLY . 35.8 tp -55.75 -51.27 67.93 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 105.407 -2.072 . . . . 34.45 105.407 -179.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.75 -46.33 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 112.571 0.582 . . . . 32.81 112.571 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mt -67.33 -28.48 68.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.343 0.497 . . . . 36.45 112.343 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.542 ' HA3' ' NH1' ' A' ' 66' ' ' ARG . . . -64.48 -54.03 31.8 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 108.968 -1.653 . . . . 34.25 108.968 179.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.542 ' NH1' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -57.53 -30.79 65.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 112.191 0.441 . . . . 35.76 112.191 -179.901 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.1 mtp -63.43 -49.89 71.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.222 -0.445 . . . . 42.65 110.024 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' NH1' ' OE1' ' A' ' 71' ' ' GLU . 6.1 mmp_? -61.61 -31.54 71.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.209 -1.034 . . . . 46.88 108.209 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.74 -42.42 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.019 -0.537 . . . . 40.12 110.353 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.65 -40.6 84.55 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.983 -0.687 . . . . 40.23 111.365 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.621 ' OE1' ' NH1' ' A' ' 68' ' ' ARG . 4.1 tt0 -46.05 -43.45 14.53 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 118.78 -1.168 . . . . 44.72 111.207 -176.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.99 -24.37 63.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 116.161 1.912 . . . . 38.81 116.161 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.03 16.31 5.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.321 -0.992 . . . . 37.64 108.321 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.4 31.68 17.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.192 -1.367 . . . . 35.81 110.422 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.02 -176.59 50.98 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.026 -0.988 . . . . 34.06 110.644 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -145.32 151.39 38.25 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 112.881 0.697 . . . . 39.23 112.881 -176.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.9 m -119.78 140.94 49.96 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.845 1.341 . . . . 33.6 112.901 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.747 ' CG2' HG12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.41 130.17 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.242 -0.89 . . . . 34.44 109.768 171.21 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.64 ' CD1' ' HG2' ' A' ' 97' ' ' PRO . 82.1 mt -101.35 115.85 31.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.275 -2.12 . . . . 36.44 105.275 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 100' ' ' MET . 27.3 tp -109.02 111.36 22.97 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 113.815 1.043 . . . . 35.55 113.815 -170.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.669 ' N ' ' CD ' ' A' ' 82' ' ' PRO . 65.3 m-20 73.03 39.0 0.11 Allowed Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 114.05 1.13 . . . . 36.34 114.05 177.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 81' ' ' ASN . 7.2 Cg_endo -59.98 137.84 78.48 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.939 3.76 . . . . 37.11 111.045 169.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . 1.101 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 50.5 p -74.85 -150.14 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 118.868 -1.133 . . . . 37.66 110.2 171.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . 1.101 ' HD3' ' HB2' ' A' ' 83' ' ' SER . 1.2 Cg_endo -82.69 -62.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.588 0 O-C-N 117.486 -1.902 . . . . 37.79 110.642 -169.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 89' ' ' VAL . 3.0 p -48.06 -59.52 3.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.897 -1.52 . . . . 38.72 106.897 -179.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' MET . . . . . 0.518 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 3.0 mmt -41.71 -58.35 2.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.878 0.736 . . . . 39.7 112.542 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -64.28 -37.53 87.83 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 112.217 -3.793 . . . . 40.0 111.2 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -63.63 -47.14 82.58 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 118.471 -1.292 . . . . 40.0 110.799 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' THR . 53.5 t -53.77 -32.53 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.12 -0.946 . . . . 37.2 111.147 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -92.13 -44.48 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 116.467 -2.093 . . . . 39.03 111.396 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -47.41 -70.54 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 118.49 -1.284 . . . . 40.0 110.477 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . 1.002 ' C ' ' HD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.222 0 O-C-N 116.873 -3.642 . . . . 40.83 111.559 172.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.461 ' HA2' ' HD3' ' A' ' 97' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 116.474 1.35 . . . . 41.43 116.474 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.64 ' HG2' ' CD1' ' A' ' 79' ' ' LEU . 1.2 Cg_endo -84.63 -174.85 1.9 Allowed 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 123.254 2.636 . . . . 41.11 114.399 179.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.02 124.39 42.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.893 -1.048 . . . . 43.21 109.293 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HG2' ' HG3' ' A' ' 82' ' ' PRO . 3.0 mtm -110.96 125.25 53.51 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.76 1.267 . . . . 43.06 111.985 174.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . 0.541 ' HG2' HD11 ' A' ' 78' ' ' ILE . 3.9 ptp -141.7 120.16 12.4 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 115.642 -2.423 . . . . 39.55 111.115 177.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.57 98.67 1.17 Allowed 'General case' 0 C--N 1.343 0.306 0 CA-C-O 122.367 1.08 . . . . 47.06 111.622 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -157.06 -177.45 6.63 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 114.942 -1.027 . . . . 37.81 111.477 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . 0.793 ' OG1' ' HG3' ' A' ' 106' ' ' GLU . 30.0 p -89.93 172.68 8.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.925 -1.509 . . . . 36.9 106.925 175.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -66.12 -45.75 79.99 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-O 118.53 -0.748 . . . . 41.4 109.842 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.63 -49.53 76.14 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.861 -1.903 . . . . 43.85 105.861 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.793 ' HG3' ' OG1' ' A' ' 103' ' ' THR . 23.9 mt-10 -51.48 -58.44 6.27 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.059 0.849 . . . . 34.23 109.289 178.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.95 -43.82 50.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.23 -0.588 . . . . 35.17 112.422 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.476 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 50.8 mt -71.99 -45.02 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 113.346 0.869 . . . . 37.09 113.346 -177.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -47.27 -49.05 24.44 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 106.093 -1.817 . . . . 41.61 106.093 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -59.34 -38.53 80.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.418 -1.265 . . . . 38.51 112.466 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.94 -37.05 71.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 112.773 0.657 . . . . 38.32 112.773 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.51 ' NH2' ' OG1' ' A' ' 9' ' ' THR . 0.7 OUTLIER -58.21 -42.4 86.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.577 -0.449 . . . . 47.52 110.347 177.655 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . 1.182 ' O ' HG13 ' A' ' 114' ' ' ILE . . . -67.09 154.72 52.83 Favored Glycine 0 C--O 1.22 -0.738 0 N-CA-C 107.666 -2.174 . . . . 39.53 107.666 175.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ILE . . . . . 1.182 HG13 ' O ' ' A' ' 113' ' ' GLY . 40.3 mt . . . . . 0 N--CA 1.475 0.783 0 CA-C-N 118.671 1.235 . . . . 39.92 110.937 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . 0.805 ' O ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_