data_1f3h_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 1f3h _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 ' 5' ' ' THR . . . . . . . . . . . . . 41.8 m . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 119.851 -0.119 . . . . 169.76 111.008 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.04 161.09 29.8 Favored Pre-proline 0 C--O 1.25 1.099 0 C-N-CA 123.69 0.796 . . . . 137.52 110.392 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -56.02 122.55 11.96 Favored 'Trans proline' 0 C--N 1.351 0.67 0 N-CA-C 108.897 -1.232 . . . . 131.06 108.897 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -30.45 -52.9 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.196 1 C-N-CA 125.557 4.172 . . . . 121.35 117.98 -179.751 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 5.34 0.66 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.086 1.143 . . . . 105.13 114.086 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TRP . . . . . 0.493 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 36.8 m0 -114.99 -17.12 11.57 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 114.273 1.212 . . . . 148.77 114.273 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.642 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.1 mt-30 -47.33 -50.49 48.24 Favored Pre-proline 0 CA--C 1.495 -1.147 0 CA-C-O 117.599 -1.191 . . . . 108.26 113.422 179.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -41.58 -25.2 0.29 Allowed 'Trans proline' 0 C--O 1.306 3.908 0 C-N-CA 124.82 3.68 . . . . 86.9 109.583 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 10' ' ' TRP . 1.2 m-85 -73.9 -22.02 59.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 112.26 -2.246 . . . . 67.94 110.175 -176.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . 0.642 ' N ' ' O ' ' A' ' 11' ' ' GLN . 38.3 mt -94.85 106.23 18.21 Favored 'General case' 0 C--O 1.285 2.942 0 C-N-CA 127.292 2.237 . . . . 76.54 113.067 -176.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' N ' ' O ' ' A' 1050 ' ' HOH . 38.9 tttt -38.53 -47.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 121.242 3.793 . . . . 98.59 121.242 176.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -66.22 -16.24 63.84 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 118.457 -1.297 . . . . 96.1 109.025 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -74.27 -50.46 18.87 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 88.12 108.5 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' ILE . 30.9 mtt180 -57.12 -65.54 0.6 Allowed 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 112.829 -1.987 . . . . 97.7 107.716 178.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.5 mt -31.23 -49.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 119.6 -0.84 . . . . 83.45 112.607 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -62.08 -18.39 60.55 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 115.935 1.828 . . . . 73.12 115.935 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p -78.02 -36.25 48.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.635 -1.174 . . . . 97.91 109.604 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -61.66 102.55 0.26 Allowed 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.628 1.205 . . . . 89.3 111.704 175.809 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -132.38 124.63 29.08 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 100.609 -3.848 . . . . 134.02 100.609 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 73.37 23.58 2.51 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 113.209 -1.814 . . . . 125.73 108.099 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -71.57 147.45 92.33 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 100.459 -3.904 . . . . 78.92 100.459 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -96.44 -32.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.331 -0.384 0 N-CA-C 118.715 2.544 . . . . 104.04 118.715 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.37 96.76 6.78 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.869 -0.789 . . . . 113.66 108.869 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -111.12 -135.95 0.36 Allowed 'General case' 0 C--O 1.279 2.612 0 N-CA-C 119.482 3.141 . . . . 80.19 119.482 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.65 124.82 11.66 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 122.973 1.368 . . . . 133.36 111.535 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.79 -39.41 2.75 Favored Glycine 0 N--CA 1.437 -1.298 0 C-N-CA 116.227 -2.892 . . . . 69.28 109.437 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.47 152.98 42.57 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 119.615 1.707 . . . . 86.43 111.129 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.88 -16.77 54.72 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.466 1.106 . . . . 69.88 111.981 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.5 p -117.91 53.74 0.94 Allowed 'General case' 1 C--O 1.33 5.332 0 CA-C-O 124.168 1.937 . . . . 80.51 115.615 -178.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 p -69.05 156.16 92.1 Favored Pre-proline 0 C--O 1.27 2.176 0 CA-C-N 111.501 -2.59 . . . . 79.37 106.317 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -45.31 -45.32 15.35 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.405 2.07 . . . . 83.6 110.242 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -56.76 -46.36 81.5 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-N 113.515 -1.675 . . . . 113.23 112.907 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -76.32 -23.96 54.29 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 118.713 -1.195 . . . . 148.16 112.806 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . 0.518 ' CE ' ' CB ' ' A' ' 73' ' ' PRO . 3.0 mmt -69.2 -57.24 5.62 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 101.426 -3.546 . . . . 101.19 101.426 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.43 -47.13 38.17 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.533 2.049 . . . . 69.48 116.533 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -65.5 -9.61 27.53 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 117.073 -1.851 . . . . 148.84 108.297 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.37 -11.55 20.16 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 118.279 -1.368 . . . . 82.28 111.383 -176.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.7 -3.52 24.58 Favored Glycine 0 C--O 1.277 2.825 0 C-N-CA 118.161 -1.971 . . . . 79.89 117.151 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.5 156.01 20.28 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 116.384 1.994 . . . . 63.76 116.384 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -130.68 142.11 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 103.577 -2.749 . . . . 88.42 103.577 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -78.81 123.51 27.28 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.682 0.993 . . . . 94.1 113.682 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' A' 1003 ' ' HOH . 98.2 m -127.05 70.13 74.38 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 107.678 -1.23 . . . . 103.92 107.678 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.69 119.38 6.06 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 N-CA-C 117.415 2.044 . . . . 116.24 117.415 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.9 m -89.27 162.83 15.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 102.465 -3.161 . . . . 122.61 102.465 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -69.38 -31.34 69.67 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.894 -2.632 . . . . 174.47 103.894 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -100.49 9.58 42.38 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.845 -1.07 . . . . 172.02 113.411 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -154.5 73.25 6.06 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 123.968 0.792 . . . . 166.0 109.651 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -86.33 7.14 5.11 Favored 'Trans proline' 0 C--O 1.185 -2.126 0 N-CA-C 120.057 3.06 . . . . 98.12 120.057 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 17.4 p-10 -121.72 24.16 9.85 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 101.793 -3.41 . . . . 128.56 101.793 178.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . 0.469 ' CE ' ' N ' ' A' ' 64' ' ' LEU . 4.6 tpt -73.27 117.81 15.47 Favored 'General case' 0 C--O 1.265 1.92 0 CA-C-N 114.674 -1.148 . . . . 102.57 112.735 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.35 136.66 36.59 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 115.987 1.847 . . . . 83.38 115.987 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . 0.63 ' CG ' ' O ' ' A' 1003 ' ' HOH . 0.8 OUTLIER -127.79 144.5 51.08 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 119.281 3.067 . . . . 77.64 119.281 174.791 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.5 t -51.6 110.7 0.48 Allowed 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 129.518 3.127 . . . . 73.61 105.716 170.588 175.787 -169.37 89.245 106.114 2.046 124.44 2.537 33.516 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE2' ' CE1' ' A' ' 86' ' ' PHE . 6.3 p90 -54.18 -27.83 36.46 Favored 'General case' 0 CA--C 1.602 2.954 0 C-N-CA 127.13 2.172 . . . . 80.51 111.808 177.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . 0.475 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 6.3 t80 -81.0 -77.58 0.2 Allowed 'General case' 0 CA--C 1.607 3.143 0 C-N-CA 125.991 1.716 . . . . 93.56 113.572 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LYS 0.445 0.8 OUTLIER -88.45 80.75 7.35 Favored 'General case' 0 CA--C 1.467 -2.225 1 C-N-CA 131.917 4.087 . . . . 112.16 104.827 179.738 33.516 2.537 89.245 124.44 2.046 106.114 -169.37 175.787 5 4 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 61' ' ' PHE 0.288 2.9 m-85 -42.36 21.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 128.967 6.654 . . . . 69.26 128.967 -168.693 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 56' ' ' GLN . 13.1 ttmm -52.84 136.79 33.4 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-N 114.233 -1.349 . . . . 103.6 114.455 175.448 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -111.4 154.97 23.85 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.538 -1.665 . . . . 96.53 111.204 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' N ' ' CE ' ' A' ' 54' ' ' MET . 90.7 mt -151.58 140.69 21.22 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 114.172 1.175 . . . . 96.7 114.172 -178.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.49 176.48 8.12 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 104.241 -2.503 . . . . 152.41 104.241 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . 0.638 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . 85.16 47.82 5.08 Favored Glycine 0 C--N 1.355 1.625 0 O-C-N 126.862 2.601 . . . . 88.88 113.907 176.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -85.9 125.73 33.54 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.118 0.784 . . . . 110.78 113.118 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . 0.628 ' OE2' ' O ' ' A' 1031 ' ' HOH . 4.8 mt-10 -112.87 135.29 21.64 Favored Pre-proline 0 N--CA 1.474 0.774 0 N-CA-C 107.67 -1.233 . . . . 113.26 107.67 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -38.75 -16.29 0.03 OUTLIER 'Trans proline' 0 C--O 1.245 0.867 1 C-N-CA 126.034 4.489 . . . . 105.72 117.003 -179.677 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -100.36 -7.32 24.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.595 1.702 . . . . 115.57 115.595 -174.837 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -73.09 119.73 17.74 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.082 2.252 . . . . 112.98 117.082 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -78.81 103.6 1.57 Allowed Pre-proline 0 CA--C 1.624 3.818 0 C-N-CA 126.484 1.913 . . . . 95.41 108.247 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' CB ' ' CE ' ' A' ' 38' ' ' MET . 39.8 Cg_exo -56.25 -21.2 34.96 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 116.636 1.745 . . . . 78.59 116.636 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.89 -78.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.364 0 C-N-CA 119.425 -0.91 . . . . 80.08 110.98 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . 0.728 ' CB ' ' O ' ' A' 1026 ' ' HOH . 0.1 OUTLIER -46.82 -25.95 0.86 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 113.511 0.93 . . . . 130.63 113.511 179.725 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' 1026 ' ' HOH . 3.4 mm-40 -59.39 -61.08 2.9 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 123.582 1.658 . . . . 107.41 106.99 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -48.3 -45.98 35.54 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 113.455 -1.702 . . . . 109.36 112.634 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -68.7 -15.05 63.4 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.689 -0.632 . . . . 103.92 109.73 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . 0.693 ' NZ ' ' O ' ' A' 1025 ' ' HOH . 48.9 tttt -84.55 -63.09 1.4 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.521 -2.029 . . . . 105.52 105.521 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 26.1 m170 -78.59 5.32 11.24 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 119.222 3.045 . . . . 120.26 119.222 -179.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' GLY . 9.7 t -161.87 33.35 0.12 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.384 0.883 . . . . 89.57 113.384 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t -27.37 -35.68 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.452 2.019 . . . . 106.9 116.452 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' SER . . . -94.62 36.53 3.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 117.628 1.811 . . . . 96.08 117.628 -179.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 t -90.45 131.73 36.04 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 101.994 -3.335 . . . . 113.86 101.994 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' CB ' ' CE2' ' A' ' 59' ' ' PHE . . . -71.31 -40.68 70.65 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.005 -1.452 . . . . 97.09 109.467 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . 0.433 ' CE1' ' CE2' ' A' ' 58' ' ' PHE . 43.4 t80 -39.73 -49.92 2.31 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 119.833 -0.747 . . . . 98.4 112.654 177.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.77 -20.79 16.16 Favored 'General case' 0 CA--C 1.486 -1.499 0 N-CA-C 114.601 1.334 . . . . 88.69 114.601 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 p -96.01 -1.62 48.56 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.503 -2.079 . . . . 112.57 111.557 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.22 92.66 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 C-N-CA 127.065 2.146 . . . . 87.54 114.185 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -105.69 66.99 0.74 Allowed 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 114.729 -1.123 . . . . 129.61 113.454 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -162.16 148.54 13.39 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.07 -2.567 . . . . 88.49 104.07 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -77.12 165.74 24.19 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 115.469 -2.493 . . . . 141.54 106.385 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.35 -68.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.248 -1.342 . . . . 101.89 113.067 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -14.01 1.26 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 116.798 2.148 . . . . 121.36 116.798 -176.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' 1009 ' ' HOH . 37.3 tt0 -88.01 2.97 50.51 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 122.313 1.054 . . . . 141.28 113.312 -177.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.69 147.66 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 114.49 1.293 . . . . 103.7 114.49 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . 0.628 ' CG2' ' O ' ' B' ' 94' ' ' GLU . 6.7 m -74.86 130.58 39.68 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 117.311 -1.328 . . . . 100.92 108.655 175.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -43.53 -28.58 0.38 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.84 1.2 . . . . 84.94 108.523 177.08 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.94 -72.86 0.58 Allowed Glycine 0 C--O 1.243 0.689 0 N-CA-C 106.001 -2.84 . . . . 85.81 106.001 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -35.08 -45.58 0.29 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.069 1.89 . . . . 97.04 113.588 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -68.01 -51.24 49.29 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.137 -1.392 . . . . 92.64 114.755 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.34 -32.9 72.79 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 115.72 -0.673 . . . . 84.07 110.633 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . 0.574 ' NZ ' ' O2 ' ' A' ' 500' ' ' SO4 . 8.6 tttp -59.95 -51.26 70.45 Favored 'General case' 0 C--N 1.255 -3.506 0 C-N-CA 124.316 1.046 . . . . 108.92 109.24 172.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.03 -28.63 67.56 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.863 -0.735 . . . . 91.16 110.064 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.33 -8.91 57.88 Favored 'General case' 0 N--CA 1.437 -1.08 1 C-N-CA 111.138 -4.225 . . . . 109.67 107.034 -178.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . 0.553 ' NE ' ' O3 ' ' A' ' 500' ' ' SO4 . 70.7 mtm-85 -83.42 -56.27 3.84 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 114.81 -2.519 . . . . 93.35 107.727 178.421 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 108' ' ' ARG . 24.7 mt-10 -49.61 -50.32 43.32 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 115.435 -2.506 . . . . 115.67 112.748 174.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -42.8 -59.03 2.11 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 121.4 -0.812 . . . . 89.78 109.125 179.126 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.04 70.87 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 115.959 -2.296 . . . . 79.51 114.597 -173.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 111' ' ' ASN . 17.5 ttmt -69.4 -77.24 0.08 Allowed 'General case' 0 C--N 1.313 -0.983 1 N-CA-C 99.833 -4.136 . . . . 125.36 99.833 176.54 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' 1007 ' ' HOH . 72.7 m-20 -28.1 -44.85 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.817 1.294 . . . . 82.69 112.357 175.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.57 -47.42 84.31 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 117.241 -1.784 . . . . 92.35 111.85 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -62.69 -43.36 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 125.125 1.37 . . . . 90.12 109.838 -179.003 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.49 -19.38 63.51 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 114.642 1.349 . . . . 100.52 114.642 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -89.81 -36.88 14.86 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 107.297 -1.371 . . . . 94.22 107.297 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -72.87 -13.14 61.22 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 115.342 -2.543 . . . . 143.83 111.589 175.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 119' ' ' ASN . 1.1 m -84.09 -55.9 3.96 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 120.253 -1.529 . . . . 99.9 107.635 177.45 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . 0.546 ' OD1' ' O ' ' A' ' 118' ' ' ASN . 18.4 t-20 -65.2 6.09 0.31 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.383 -0.599 . . . . 100.94 109.383 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 117' ' ' THR . 0.4 OUTLIER -109.39 -30.12 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 123.119 1.437 . . . . 101.08 110.394 178.027 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.06 -35.02 57.02 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 102.75 -3.056 . . . . 101.14 102.75 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' 1011 ' ' HOH . 82.9 tttt -58.91 -59.99 4.57 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-O 123.091 1.424 . . . . 92.55 111.99 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -53.44 -23.38 9.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.614 -1.63 . . . . 104.41 111.305 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -88.49 -15.06 36.29 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 119.541 -0.864 . . . . 131.14 111.625 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -82.69 -58.67 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 105.568 -2.012 . . . . 105.7 105.568 -177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -48.04 -48.99 32.78 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 125.146 1.529 . . . . 91.3 110.692 172.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.92 -56.83 11.72 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 117.083 -1.847 . . . . 157.1 109.251 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -29.5 66.95 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 115.648 1.722 . . . . 102.5 115.648 -178.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 131' ' ' VAL . . . -66.22 -56.46 11.19 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.885 -1.895 . . . . 90.73 105.885 177.269 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -44.93 -38.15 4.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.784 0.802 . . . . 101.21 111.808 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -80.67 -21.12 41.65 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 119.701 -0.8 . . . . 145.29 110.691 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' 1030 ' ' HOH . 0.4 OUTLIER -83.02 -47.42 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.355 0 N-CA-C 102.615 -3.106 . . . . 80.61 102.615 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . 0.486 ' NH2' ' O ' ' A' 1040 ' ' HOH . 32.9 ttt180 -48.57 -59.5 3.45 Favored 'General case' 0 C--O 1.262 1.762 0 CA-C-O 123.325 1.536 . . . . 130.03 112.686 176.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -49.16 -48.32 45.08 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.708 -1.587 . . . . 167.8 111.02 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.56 71.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.903 -1.044 . . . . 88.15 112.463 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -48.44 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 122.284 1.04 . . . . 87.33 110.132 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -53.87 -37.25 63.5 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.543 -1.208 . . . . 111.14 110.966 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -73.63 -11.11 60.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.513 1.625 . . . . 123.67 110.139 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.98 43.96 2.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.446 -2.057 . . . . 98.62 105.446 -178.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.31 51.45 0.16 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 102.1 -3.296 . . . . 112.47 102.1 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 105.324 -2.102 . . . . 118.66 105.324 -179.432 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' B' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 113.573 0.953 . . . . 108.25 113.573 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' B' ' 6' ' ' LEU . 19.7 Cg_endo -42.75 -175.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.622 1 C-N-CA 125.552 4.168 . . . . 113.44 117.392 -179.522 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' B' ' 7' ' ' PRO . 0.3 OUTLIER -104.73 18.94 0.15 Allowed 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.823 3.016 . . . . 140.92 116.709 179.953 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.04 -17.24 6.29 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 107.043 -1.465 . . . . 121.29 107.043 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ3' ' A' ' 10' ' ' TRP . 23.9 m0 -98.03 -1.98 41.33 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-N 114.553 -1.203 . . . . 139.88 109.907 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' B' ' 12' ' ' PRO . 82.3 mt-30 -63.38 -41.8 70.18 Favored Pre-proline 0 CA--C 1.501 -0.918 0 C-N-CA 117.111 -1.836 . . . . 113.26 113.45 -175.145 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' B' ' 11' ' ' GLN . 0.3 OUTLIER -44.95 -28.65 3.21 Favored 'Trans proline' 0 C--O 1.274 2.325 1 C-N-CA 128.788 6.325 . . . . 78.28 110.961 179.568 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PHE . . . . . 0.626 ' CE1' ' NE ' ' B' ' 108' ' ' ARG . 3.7 m-85 -73.62 -10.77 60.04 Favored 'General case' 0 C--O 1.303 3.872 0 CA-C-N 110.041 -3.254 . . . . 68.97 110.473 -175.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLN . 17.6 mt -106.31 124.29 49.37 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-N 112.188 -2.278 . . . . 95.8 114.124 -177.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -47.97 -60.34 2.68 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 118.703 -1.199 . . . . 88.85 113.889 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.12 -46.39 4.3 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 113.911 1.078 . . . . 129.22 113.911 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.87 -28.49 64.61 Favored 'General case' 0 C--O 1.266 1.949 0 C-N-CA 117.028 -1.869 . . . . 81.18 110.172 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . 0.659 ' NH1' ' O ' ' B' ' 39' ' ' ALA . 9.0 mtm180 -69.92 -42.79 72.85 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.628 -2.36 . . . . 89.68 104.628 -178.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' B' ' 20' ' ' SER . 71.5 mt -62.91 -45.61 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 117.743 -1.583 . . . . 82.5 110.478 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . 0.431 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.0 OUTLIER -43.35 -28.22 0.32 Allowed 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.236 -1.024 . . . . 81.95 108.236 179.797 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 18' ' ' ARG . 73.6 p -77.46 -15.74 59.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 118.721 2.86 . . . . 97.72 118.721 -176.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -81.14 99.21 8.41 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.915 0.864 . . . . 104.62 110.508 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -71.19 -87.89 0.02 OUTLIER 'General case' 0 C--O 1.251 1.164 0 C-N-CA 127.929 2.491 . . . . 156.59 108.894 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -93.19 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.827 -1.916 . . . . 153.04 105.827 176.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' PHE . 20.4 t-105 77.17 85.67 0.09 OUTLIER Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 105.339 -2.097 . . . . 132.91 105.339 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.75 3.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 122.638 2.225 . . . . 155.74 114.475 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' B' ' 27' ' ' PHE . 5.2 m-85 -126.42 115.53 19.75 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 116.207 1.928 . . . . 121.68 116.207 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 mt -127.66 -137.0 0.24 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 115.458 1.651 . . . . 115.01 115.458 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 134.45 29.56 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 106.072 -1.825 . . . . 167.83 106.072 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.12 -44.66 1.43 Allowed Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 118.46 -1.829 . . . . 95.67 110.348 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.6 167.76 20.78 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 114.02 1.119 . . . . 111.06 114.02 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.45 -15.75 16.39 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.686 0.755 . . . . 96.63 109.246 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' CE3' ' B' ' 67' ' ' TRP . 8.9 t -96.82 42.32 1.09 Allowed 'General case' 0 C--O 1.258 1.541 0 C-N-CA 128.703 2.801 . . . . 105.43 109.229 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -73.07 162.01 76.58 Favored Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 113.297 0.851 . . . . 113.24 113.297 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -58.73 -34.2 98.81 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 118.393 -0.605 . . . . 114.13 112.35 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -66.13 -49.83 66.11 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 117.774 -1.571 . . . . 134.28 112.106 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.78 -22.68 63.31 Favored 'General case' 0 C--O 1.252 1.214 0 N-CA-C 112.433 0.531 . . . . 158.37 112.433 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.06 1.93 56.71 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 118.792 -1.163 . . . . 89.28 113.153 -179.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . 0.659 ' O ' ' NH1' ' B' ' 18' ' ' ARG . . . -116.53 -17.2 10.68 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 103.858 -2.645 . . . . 106.92 103.858 179.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 7.12 7.09 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.981 1.425 . . . . 142.43 109.065 174.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.64 18.96 5.18 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 106.963 -1.495 . . . . 91.69 106.963 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.28 81.0 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 117.853 -1.526 . . . . 77.47 115.282 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -85.33 149.26 25.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 114.662 -2.815 . . . . 81.13 116.811 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mt -129.79 135.8 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.586 0 N-CA-C 103.79 -2.67 . . . . 101.3 103.79 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -78.31 117.34 19.47 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.903 -0.406 . . . . 122.08 109.903 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.34 62.77 16.74 Favored Pre-proline 0 C--O 1.268 2.056 0 N-CA-C 106.278 -1.749 . . . . 107.76 106.278 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.61 149.87 89.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.317 3.344 . . . . 105.82 115.021 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' B' ' 49' ' ' GLU . 0.5 OUTLIER -144.16 -158.67 0.9 Allowed 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.008 -0.996 . . . . 130.65 108.814 -179.751 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . 0.524 ' N ' ' OG1' ' B' ' 48' ' ' THR . 4.3 mm-40 -77.13 -54.98 5.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.846 0.355 . . . . 168.44 111.773 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.64 14.96 21.26 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 115.369 -0.832 . . . . 144.23 110.459 -179.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' B' ' 52' ' ' PRO . 1.8 mp0 -152.5 41.55 0.2 Allowed Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.559 1.318 . . . . 125.19 114.559 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 57.1 Cg_endo -52.92 -11.42 1.43 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 125.165 3.91 . . . . 124.48 116.575 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -116.75 12.06 14.75 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 124.455 1.097 . . . . 139.93 112.412 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' MET . . . . . 0.667 ' CG ' ' O ' ' B' 1032 ' ' HOH . 52.1 ttm -74.57 125.42 28.6 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 118.797 2.888 . . . . 135.79 118.797 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.7 178.59 4.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.297 -0.865 . . . . 102.1 112.139 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -162.26 153.28 17.7 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 118.307 -0.854 . . . . 95.42 110.632 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' CYS . . . . . 0.502 ' SG ' ' NE2' ' B' ' 77' ' ' HIS 0.316 0.3 OUTLIER -79.73 150.12 30.94 Favored 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 102.784 -3.043 . . . . 76.91 102.784 177.751 -137.735 156.37 99.782 95.986 2.184 113.132 -52.814 57.281 4 4 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -86.69 -29.62 22.31 Favored 'General case' 0 C--O 1.195 -1.78 0 N-CA-C 102.675 -3.083 . . . . 90.57 102.675 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PHE . . . . . 0.541 ' C ' ' CD2' ' B' ' 59' ' ' PHE . 0.8 OUTLIER -83.12 -57.37 3.3 Favored 'General case' 0 C--O 1.262 1.719 0 N-CA-C 121.539 3.903 . . . . 94.32 121.539 -177.929 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 25.1 p -85.97 -27.0 25.15 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.486 -1.234 . . . . 89.78 111.472 -179.474 57.281 -52.814 99.782 113.132 2.184 95.986 156.37 -137.735 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . 0.455 ' O ' ' NZ ' ' B' ' 115' ' ' LYS . 72.5 m-85 78.97 6.79 2.16 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.843 2.535 . . . . 105.01 117.843 -179.865 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -68.49 135.86 52.29 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 115.297 -2.561 . . . . 134.32 108.331 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' B' ' 64' ' ' LEU . 38.0 mt-10 -97.67 134.94 40.18 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.425 1.09 . . . . 106.36 111.23 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' 1032 ' ' HOH . 0.9 OUTLIER -134.29 130.1 36.55 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 120.801 -1.187 . . . . 95.01 113.971 -178.75 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.04 -178.88 3.58 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.741 1.617 . . . . 132.25 112.328 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.18 71.18 0.73 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 118.987 -1.578 . . . . 105.21 115.675 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TRP . . . . . 0.47 ' CE3' ' SG ' ' B' ' 33' ' ' CYS . 71.6 m95 -98.74 146.53 25.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.38 -1.711 . . . . 100.63 106.38 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . 0.514 ' N ' ' OD2' ' B' ' 71' ' ' ASP . 52.3 mt-10 -136.12 140.67 33.72 Favored Pre-proline 0 C--O 1.248 1.001 0 N-CA-C 107.997 -1.112 . . . . 149.85 107.997 176.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -30.65 -30.58 0.02 OUTLIER 'Trans proline' 0 C--O 1.254 1.324 1 C-N-CA 127.374 5.382 . . . . 117.83 116.56 -178.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' B' ' 68' ' ' GLU . 15.6 m-20 -98.96 -11.82 21.22 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 116.298 1.962 . . . . 135.85 116.298 -173.871 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 87.1 m-20 -54.54 123.37 12.92 Favored 'General case' 0 CA--C 1.58 2.105 0 O-C-N 126.863 2.602 . . . . 115.7 111.279 176.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.28 104.7 12.9 Favored Pre-proline 0 CA--C 1.557 1.218 0 N-CA-C 105.191 -2.152 . . . . 128.14 105.191 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.11 -41.99 47.54 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 N-CA-C 116.948 1.865 . . . . 104.32 116.948 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.06 -51.29 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.316 -0.865 . . . . 99.65 110.622 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.35 -51.11 70.7 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.108 -0.951 . . . . 162.09 112.281 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -54.03 -34.64 60.52 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 118.753 -1.179 . . . . 123.93 111.267 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HIS . . . . . 0.502 ' NE2' ' SG ' ' B' ' 57' ' ' CYS . 7.8 t-160 -71.15 -47.38 58.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 114.546 -1.206 . . . . 95.63 111.579 -177.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.93 -31.32 72.37 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.366 1.067 . . . . 117.83 111.825 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -104.42 42.85 1.15 Allowed 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 113.688 0.995 . . . . 153.58 113.688 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -167.41 -6.78 0.02 OUTLIER 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.435 -1.257 . . . . 117.19 108.926 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -166.24 104.01 0.64 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 104.368 -2.456 . . . . 117.86 104.368 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 46.9 t -98.43 -23.75 15.45 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.097 -1.445 . . . . 161.28 107.097 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.7 70.13 0.6 Allowed Glycine 0 C--O 1.25 1.15 0 CA-C-O 124.382 2.101 . . . . 137.21 111.686 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 1.2 t -138.07 105.11 5.42 Favored 'General case' 0 N--CA 1.409 -2.513 0 N-CA-C 105.702 -1.962 . . . . 105.2 105.702 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.9 -34.56 9.15 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.912 -0.585 . . . . 107.11 112.516 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -49.37 -53.47 22.29 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.673 1.36 . . . . 98.39 114.673 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.41 -32.4 26.26 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 112.688 0.625 . . . . 100.72 112.688 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -14.43 58.28 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.072 1.138 . . . . 90.74 114.072 178.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.21 103.82 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.245 0 CA-C-O 121.646 0.736 . . . . 91.16 110.345 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -90.7 -29.36 17.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.032 -1.894 . . . . 137.64 114.515 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -75.37 151.31 38.21 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 115.736 1.754 . . . . 121.4 115.736 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.77 154.08 42.47 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 105.936 -1.875 . . . . 132.49 105.936 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -43.93 -64.64 0.63 Allowed 'General case' 0 C--O 1.259 1.587 0 CA-C-O 121.982 0.896 . . . . 105.57 111.371 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . 0.628 ' O ' ' CG2' ' A' ' 97' ' ' THR . 50.1 mt-10 -57.13 -10.11 1.11 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 117.134 2.272 . . . . 130.58 117.134 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' B' ' 95' ' ' GLU . 5.9 tp10 -101.38 1.08 38.1 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 123.31 1.528 . . . . 122.0 108.098 -179.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.52 145.42 43.51 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 114.086 -1.415 . . . . 97.19 110.501 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 151.36 28.65 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 105.061 -2.2 . . . . 93.07 105.061 175.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -38.39 75.2 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 108.236 -1.024 . . . . 84.69 108.236 177.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.74 -60.67 7.4 Favored Glycine 0 C--N 1.342 0.872 0 O-C-N 125.27 1.606 . . . . 79.84 110.022 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.98 -50.9 57.35 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.233 -0.655 . . . . 99.71 109.233 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -52.12 -42.48 63.33 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 118.869 -1.132 . . . . 77.13 110.464 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -36.47 82.05 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 123.184 1.469 . . . . 94.52 114.246 178.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -58.95 -52.08 67.28 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 106.922 -1.51 . . . . 116.71 106.922 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.72 -34.86 69.92 Favored 'General case' 0 CA--C 1.472 -2.043 0 C-N-CA 119.22 -0.992 . . . . 72.74 113.011 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.07 -26.75 56.8 Favored 'General case' 0 C--O 1.301 3.797 0 C-N-CA 116.747 -1.981 . . . . 132.49 109.334 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -43.21 68.12 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 116.248 -2.181 . . . . 135.43 105.863 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -65.09 -43.08 93.28 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.178 0.444 . . . . 95.89 110.251 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ARG . . . . . 0.626 ' NE ' ' CE1' ' B' ' 13' ' ' PHE . 28.1 ttp85 -55.25 -49.71 71.33 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 116.543 -2.063 . . . . 93.64 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.28 71.11 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 115.772 -2.371 . . . . 95.75 111.519 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -59.29 -66.52 0.5 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 106.53 -1.656 . . . . 128.43 106.53 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -42.5 -39.1 2.15 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.228 1.196 . . . . 94.1 114.228 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -63.72 -36.42 83.79 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.335 -1.746 . . . . 106.45 109.135 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.27 -59.39 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.197 -1.409 . . . . 88.7 107.197 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.45 -60.23 1.15 Allowed 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.884 -1.524 . . . . 92.76 106.884 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 61' ' ' PHE . 60.8 tttt -55.7 -36.64 67.39 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 117.675 2.472 . . . . 107.71 117.675 179.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -79.69 -24.49 41.71 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.316 -2.154 . . . . 147.04 109.299 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 91.8 m -66.29 -49.02 68.51 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 105.986 -1.857 . . . . 108.15 105.986 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -39.56 75.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.566 -0.743 . . . . 112.94 110.293 179.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -61.6 -49.09 78.02 Favored 'General case' 0 CA--C 1.468 -2.185 0 C-N-CA 118.256 -1.378 . . . . 118.4 112.106 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -57.35 -37.58 72.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 116.689 -1.624 . . . . 100.51 108.621 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -61.75 -52.88 62.43 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 120.708 1.595 . . . . 134.54 109.887 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.16 -47.75 74.71 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.712 -0.676 . . . . 102.34 110.091 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.47 -40.11 93.34 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 118.74 -1.184 . . . . 150.58 112.301 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.4 -54.33 34.49 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 118.097 -0.954 . . . . 102.36 108.695 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.15 -38.34 68.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 120.007 1.276 . . . . 157.45 113.948 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -48.27 78.04 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 121.542 0.687 . . . . 146.37 110.396 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -65.62 -42.35 91.64 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.343 -0.844 . . . . 84.42 110.226 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.02 -52.38 43.56 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.725 -1.213 . . . . 91.61 107.725 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -58.15 -44.77 88.06 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.219 0.95 . . . . 111.1 112.647 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -62.65 -41.81 99.26 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 117.531 -1.667 . . . . 119.36 108.928 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.3 -0.875 . . . . 77.19 112.181 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' B' 1043 ' ' HOH . 9.7 ttm180 -49.16 -54.14 17.73 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.319 1.229 . . . . 134.31 114.319 177.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -52.44 -53.23 48.08 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-N 113.55 -1.659 . . . . 166.68 109.48 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.6 70.29 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.257 1.206 . . . . 83.63 114.257 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' B' ' 136' ' ' GLU . 0.1 OUTLIER -79.5 -41.99 22.7 Favored 'Isoleucine or valine' 0 C--O 1.26 1.646 0 O-C-N 124.069 0.856 . . . . 104.59 109.51 -178.371 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' B' ' 139' ' ' ALA . 26.9 mt-10 -51.9 -63.45 1.13 Allowed 'General case' 0 C--O 1.24 0.555 0 N-CA-C 105.644 -1.984 . . . . 117.79 105.644 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -42.81 -23.26 0.04 OUTLIER 'General case' 0 C--O 1.26 1.655 0 N-CA-C 117.218 2.303 . . . . 108.75 117.218 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 tp -79.73 -31.55 41.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.211 -1.403 . . . . 94.6 107.211 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 136' ' ' GLU . . . -86.79 67.89 9.96 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 106.014 -1.847 . . . . 112.51 106.014 178.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.718 0 C-N-CA 125.723 1.609 . . . . 134.41 109.001 -176.318 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' SO4 . . . . . 0.574 ' O2 ' ' NZ ' ' A' ' 103' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 342' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1000 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . 0.733 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . 0.52 ' O ' ' ND2' ' A' ' 111' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . 0.421 ' O ' ' CG ' ' A' ' 95' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . 0.446 ' O ' ' CE ' ' A' ' 121' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1025 ' ' HOH . . . . . 0.693 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1026 ' ' HOH . . . . . 0.728 ' O ' ' CB ' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1030 ' ' HOH . . . . . 0.471 ' O ' ' CG1' ' A' ' 131' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1031 ' ' HOH . . . . . 0.628 ' O ' ' OE2' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1040 ' ' HOH . . . . . 0.486 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1050 ' ' HOH . . . . . 0.604 ' O ' ' N ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1060 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1064 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1072 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1084 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1032 ' ' HOH . . . . . 0.667 ' O ' ' CG ' ' B' ' 54' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1043 ' ' HOH . . . . . 0.6 ' O ' ' NH2' ' B' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1059 ' ' HOH . . . . . 0.626 ' O ' ' NH2' ' B' ' 18' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' HD12 ' A' ' 6' ' ' LEU . 41.8 m . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 119.851 -0.119 . . . . 169.75999999999999 111.008 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' 1024 ' ' HOH . 6.5 mp -114.04 161.09 29.8 Favored Pre-proline 0 C--O 1.25 1.099 0 C-N-CA 123.69 0.796 . . . . 137.52000000000001 110.392 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 6' ' ' LEU . 15.5 Cg_exo -56.02 122.55 11.96 Favored 'Trans proline' 0 C--N 1.351 0.67 0 N-CA-C 108.897 -1.232 . . . . 131.06 108.897 -179.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -30.45 -52.9 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.196 1 C-N-CA 125.557 4.172 . . . . 121.34999999999999 117.98 -179.751 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 5.34 0.66 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.086 1.143 . . . . 105.13 114.086 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TRP . . . . . 0.968 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 36.8 m0 -114.99 -17.12 11.57 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 114.273 1.212 . . . . 148.77000000000001 114.273 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 8' ' ' PRO . 7.1 mt-30 -47.33 -50.49 48.24 Favored Pre-proline 0 CA--C 1.495 -1.147 0 CA-C-O 117.599 -1.191 . . . . 108.26000000000001 113.422 179.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 11' ' ' GLN . 2.5 Cg_endo -41.58 -25.2 0.29 Allowed 'Trans proline' 0 C--O 1.306 3.908 0 C-N-CA 124.82 3.68 . . . . 86.900000000000006 109.583 179.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . 0.968 ' HB2' ' O ' ' A' ' 10' ' ' TRP . 1.2 m-85 -73.9 -22.02 59.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 112.26 -2.246 . . . . 67.939999999999998 110.175 -176.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 38.3 mt -94.85 106.23 18.21 Favored 'General case' 0 C--O 1.285 2.942 0 C-N-CA 127.292 2.237 . . . . 76.540000000000006 113.067 -176.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HZ2' ' HB3' ' A' ' 40' ' ' GLU . 38.9 tttt -38.53 -47.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 121.242 3.793 . . . . 98.590000000000003 121.242 176.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -66.22 -16.24 63.84 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 118.457 -1.297 . . . . 96.099999999999994 109.025 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 79.5 t60 -74.27 -50.46 18.87 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 88.120000000000005 108.5 179.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . 0.793 ' HG2' HD11 ' A' ' 44' ' ' ILE . 30.9 mtt180 -57.12 -65.54 0.6 Allowed 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 112.829 -1.987 . . . . 97.700000000000003 107.716 178.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.5 mt -31.23 -49.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 119.6 -0.84 . . . . 83.450000000000003 112.607 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -62.08 -18.39 60.55 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 115.935 1.828 . . . . 73.120000000000005 115.935 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p -78.02 -36.25 48.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.635 -1.174 . . . . 97.909999999999997 109.604 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' H ' ' HD1' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -61.66 102.55 0.26 Allowed 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.628 1.205 . . . . 89.299999999999997 111.704 175.809 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 61.3 mttt -132.38 124.63 29.08 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 100.609 -3.848 . . . . 134.02000000000001 100.609 179.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 90.8 m-20 73.37 23.58 2.51 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 113.209 -1.814 . . . . 125.73 108.099 -178.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -71.57 147.45 92.33 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 100.459 -3.904 . . . . 78.920000000000002 100.459 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . 0.648 ' HG2' ' CD1' ' A' ' 27' ' ' PHE . 2.9 Cg_endo -96.44 -32.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.331 -0.384 0 N-CA-C 118.715 2.544 . . . . 104.04000000000001 118.715 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.648 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 50.8 m-85 -80.37 96.76 6.78 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.869 -0.789 . . . . 113.66 108.869 -177.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -111.12 -135.95 0.36 Allowed 'General case' 0 C--O 1.279 2.612 0 N-CA-C 119.482 3.141 . . . . 80.189999999999998 119.482 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.65 124.82 11.66 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 122.973 1.368 . . . . 133.36000000000001 111.535 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.79 -39.41 2.75 Favored Glycine 0 N--CA 1.437 -1.298 0 C-N-CA 116.227 -2.892 . . . . 69.280000000000001 109.437 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.47 152.98 42.57 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 119.615 1.707 . . . . 86.430000000000007 111.129 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.88 -16.77 54.72 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.466 1.106 . . . . 69.879999999999995 111.981 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . 0.739 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 14.5 p -117.91 53.74 0.94 Allowed 'General case' 1 C--O 1.33 5.332 0 CA-C-O 124.168 1.937 . . . . 80.510000000000005 115.615 -178.954 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.82 ' HB ' ' O ' ' A' 1013 ' ' HOH . 4.8 p -69.05 156.16 92.1 Favored Pre-proline 0 C--O 1.27 2.176 0 CA-C-N 111.501 -2.59 . . . . 79.370000000000005 106.317 177.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' 1013 ' ' HOH . 84.1 Cg_exo -45.31 -45.32 15.35 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.405 2.07 . . . . 83.599999999999994 110.242 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -56.76 -46.36 81.5 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-N 113.515 -1.675 . . . . 113.23 112.907 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 37' ' ' ARG . 4.3 mmm180 -76.32 -23.96 54.29 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 118.713 -1.195 . . . . 148.16 112.806 -178.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . 0.749 ' CE ' ' HB3' ' A' ' 73' ' ' PRO . 3.0 mmt -69.2 -57.24 5.62 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 101.426 -3.546 . . . . 101.19 101.426 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.43 -47.13 38.17 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.533 2.049 . . . . 69.480000000000004 116.533 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' 1008 ' ' HOH . 5.4 pt-20 -65.5 -9.61 27.53 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 117.073 -1.851 . . . . 148.84 108.297 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' MET . . . -100.37 -11.55 20.16 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 118.279 -1.368 . . . . 82.280000000000001 111.383 -176.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.7 -3.52 24.58 Favored Glycine 0 C--O 1.277 2.825 0 C-N-CA 118.161 -1.971 . . . . 79.890000000000001 117.151 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.5 156.01 20.28 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 116.384 1.994 . . . . 63.759999999999998 116.384 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . 0.793 HD11 ' HG2' ' A' ' 18' ' ' ARG . 16.0 mm -130.68 142.11 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 103.577 -2.749 . . . . 88.420000000000002 103.577 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -78.81 123.51 27.28 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.682 0.993 . . . . 94.099999999999994 113.682 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' A' 1003 ' ' HOH . 98.2 m -127.05 70.13 74.38 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 107.678 -1.23 . . . . 103.92 107.678 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.69 119.38 6.06 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 N-CA-C 117.415 2.044 . . . . 116.23999999999999 117.415 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . 0.913 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 75.9 m -89.27 162.83 15.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 102.465 -3.161 . . . . 122.61 102.465 176.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 48' ' ' THR . 8.5 tp10 -69.38 -31.34 69.67 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.894 -2.632 . . . . 174.47 103.894 177.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . 0.648 ' H ' HG22 ' A' ' 48' ' ' THR . 3.8 m120 -100.49 9.58 42.38 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.845 -1.07 . . . . 172.02000000000001 113.411 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.913 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.7 mm-40 -154.5 73.25 6.06 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 123.968 0.792 . . . . 166.0 109.651 -179.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -86.33 7.14 5.11 Favored 'Trans proline' 0 C--O 1.185 -2.126 0 N-CA-C 120.057 3.06 . . . . 98.120000000000005 120.057 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . 0.626 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 17.4 p-10 -121.72 24.16 9.85 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 101.793 -3.41 . . . . 128.56 101.793 178.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . 0.721 ' HE3' ' O ' ' A' ' 64' ' ' LEU . 4.6 tpt -73.27 117.81 15.47 Favored 'General case' 0 C--O 1.265 1.92 0 CA-C-N 114.674 -1.148 . . . . 102.56999999999999 112.735 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.35 136.66 36.59 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 115.987 1.847 . . . . 83.379999999999995 115.987 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . 0.873 ' HG2' ' O ' ' A' 1003 ' ' HOH . 0.8 OUTLIER -127.79 144.5 51.08 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 119.281 3.067 . . . . 77.640000000000001 119.281 174.791 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.5 t -51.6 110.7 0.48 Allowed 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 129.518 3.127 . . . . 73.609999999999999 105.716 170.588 175.787 -169.37 89.245 106.114 2.046 124.44 2.537 33.516 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.3 p90 -54.18 -27.83 36.46 Favored 'General case' 0 CA--C 1.602 2.954 0 C-N-CA 127.13 2.172 . . . . 80.510000000000005 111.808 177.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . 0.968 ' HE2' ' HB3' ' A' ' 85' ' ' ALA . 6.3 t80 -81.0 -77.58 0.2 Allowed 'General case' 0 CA--C 1.607 3.143 0 C-N-CA 125.991 1.716 . . . . 93.560000000000002 113.572 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . 0.445 0.8 OUTLIER -88.45 80.75 7.35 Favored 'General case' 0 CA--C 1.467 -2.225 1 C-N-CA 131.917 4.087 . . . . 112.16 104.827 179.738 33.516 2.537 89.245 124.44 2.046 106.114 -169.37 175.787 4 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . 0.659 ' H ' ' HD1' ' A' ' 61' ' ' PHE 0.288 2.9 m-85 -42.36 21.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 128.967 6.654 . . . . 69.260000000000005 128.967 -168.693 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . 0.824 ' HE3' ' O ' ' A' ' 80' ' ' HIS . 13.1 ttmm -52.84 136.79 33.4 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-N 114.233 -1.349 . . . . 103.59999999999999 114.455 175.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . 0.558 ' O ' HD23 ' A' ' 64' ' ' LEU . 14.4 mt-10 -111.4 154.97 23.85 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.538 -1.665 . . . . 96.530000000000001 111.204 177.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 0.721 ' O ' ' HE3' ' A' ' 54' ' ' MET . 90.7 mt -151.58 140.69 21.22 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 114.172 1.175 . . . . 96.700000000000003 114.172 -178.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.49 176.48 8.12 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 104.241 -2.503 . . . . 152.41 104.241 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . 85.16 47.82 5.08 Favored Glycine 0 C--N 1.355 1.625 0 O-C-N 126.862 2.601 . . . . 88.879999999999995 113.907 176.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -85.9 125.73 33.54 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.118 0.784 . . . . 110.78 113.118 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . 0.628 ' OE2' ' O ' ' A' 1031 ' ' HOH . 4.8 mt-10 -112.87 135.29 21.64 Favored Pre-proline 0 N--CA 1.474 0.774 0 N-CA-C 107.67 -1.233 . . . . 113.26000000000001 107.67 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 27' ' ' PHE . 15.1 Cg_exo -38.75 -16.29 0.03 OUTLIER 'Trans proline' 0 C--O 1.245 0.867 1 C-N-CA 126.034 4.489 . . . . 105.72 117.003 -179.677 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -100.36 -7.32 24.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.595 1.702 . . . . 115.56999999999999 115.595 -174.837 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . 0.739 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 95.2 m-20 -73.09 119.73 17.74 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.082 2.252 . . . . 112.98 117.082 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -78.81 103.6 1.57 Allowed Pre-proline 0 CA--C 1.624 3.818 0 C-N-CA 126.484 1.913 . . . . 95.409999999999997 108.247 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . 0.749 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 39.8 Cg_exo -56.25 -21.2 34.96 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 116.636 1.745 . . . . 78.590000000000003 116.636 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.89 -78.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.364 0 C-N-CA 119.425 -0.91 . . . . 80.079999999999998 110.98 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.728 ' CB ' ' O ' ' A' 1026 ' ' HOH . 0.1 OUTLIER -46.82 -25.95 0.86 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 113.511 0.93 . . . . 130.63 113.511 179.725 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' 1026 ' ' HOH . 3.4 mm-40 -59.39 -61.08 2.9 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 123.582 1.658 . . . . 107.41 106.99 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' CE1' HD21 ' A' ' 87' ' ' LEU . 4.0 t-160 -48.3 -45.98 35.54 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 113.455 -1.702 . . . . 109.36 112.634 177.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -68.7 -15.05 63.4 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.689 -0.632 . . . . 103.92 109.73 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.693 ' NZ ' ' O ' ' A' 1025 ' ' HOH . 48.9 tttt -84.55 -63.09 1.4 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.521 -2.029 . . . . 105.52 105.521 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HIS . . . . . 0.824 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 1.5 m-70 -78.59 5.32 11.24 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 119.222 3.045 . . . . 120.26000000000001 119.222 -179.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' GLY . 9.7 t -161.87 33.35 0.12 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.384 0.883 . . . . 89.569999999999993 113.384 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t -27.37 -35.68 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.452 2.019 . . . . 106.90000000000001 116.452 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' SER . . . -94.62 36.53 3.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 117.628 1.811 . . . . 96.079999999999998 117.628 -179.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . 0.657 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . 15.1 t -90.45 131.73 36.04 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 101.994 -3.335 . . . . 113.86 101.994 178.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . 0.968 ' HB3' ' HE2' ' A' ' 59' ' ' PHE . . . -71.31 -40.68 70.65 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.005 -1.452 . . . . 97.090000000000003 109.467 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 43.4 t80 -39.73 -49.92 2.31 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 119.833 -0.747 . . . . 98.400000000000006 112.654 177.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . 0.657 ' HG ' ' HB3' ' A' ' 84' ' ' CYS . 4.1 mt -55.77 -20.79 16.16 Favored 'General case' 0 CA--C 1.486 -1.499 0 N-CA-C 114.601 1.334 . . . . 88.689999999999998 114.601 -177.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 p -96.01 -1.62 48.56 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.503 -2.079 . . . . 112.56999999999999 111.557 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . 0.586 ' HB ' ' O ' ' A' ' 86' ' ' PHE . 2.9 t -77.22 92.66 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 C-N-CA 127.065 2.146 . . . . 87.540000000000006 114.185 179.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' 1027 ' ' HOH . 11.1 pttt -105.69 66.99 0.74 Allowed 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 114.729 -1.123 . . . . 129.61000000000001 113.454 -178.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -162.16 148.54 13.39 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.07 -2.567 . . . . 88.489999999999995 104.07 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -77.12 165.74 24.19 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 115.469 -2.493 . . . . 141.53999999999999 106.385 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.35 -68.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.248 -1.342 . . . . 101.89 113.067 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' O ' HG23 ' B' ' 97' ' ' THR . 0.1 OUTLIER -54.82 -14.01 1.26 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 116.798 2.148 . . . . 121.36 116.798 -176.994 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 1009 ' ' HOH . 37.3 tt0 -88.01 2.97 50.51 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 122.313 1.054 . . . . 141.28 113.312 -177.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.69 147.66 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 114.49 1.293 . . . . 103.7 114.49 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 94' ' ' GLU . 6.7 m -74.86 130.58 39.68 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 117.311 -1.328 . . . . 100.92 108.655 175.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . 0.751 HD23 ' O ' ' B' ' 96' ' ' LEU . 0.3 OUTLIER -43.53 -28.58 0.38 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.84 1.2 . . . . 84.939999999999998 108.523 177.08 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.94 -72.86 0.58 Allowed Glycine 0 C--O 1.243 0.689 0 N-CA-C 106.001 -2.84 . . . . 85.810000000000002 106.001 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -35.08 -45.58 0.29 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.069 1.89 . . . . 97.040000000000006 113.588 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -68.01 -51.24 49.29 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.137 -1.392 . . . . 92.640000000000001 114.755 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.34 -32.9 72.79 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 115.72 -0.673 . . . . 84.069999999999993 110.633 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 8.6 tttp -59.95 -51.26 70.45 Favored 'General case' 0 C--N 1.255 -3.506 0 C-N-CA 124.316 1.046 . . . . 108.92 109.24 172.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.03 -28.63 67.56 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.863 -0.735 . . . . 91.159999999999997 110.064 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.33 -8.91 57.88 Favored 'General case' 0 N--CA 1.437 -1.08 1 C-N-CA 111.138 -4.225 . . . . 109.67 107.034 -178.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 103' ' ' LYS . 70.7 mtm-85 -83.42 -56.27 3.84 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 114.81 -2.519 . . . . 93.349999999999994 107.727 178.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 108' ' ' ARG . 24.7 mt-10 -49.61 -50.32 43.32 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 115.435 -2.506 . . . . 115.67 112.748 174.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -42.8 -59.03 2.11 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 121.4 -0.812 . . . . 89.780000000000001 109.125 179.126 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.04 70.87 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 115.959 -2.296 . . . . 79.510000000000005 114.597 -173.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 111' ' ' ASN . 17.5 ttmt -69.4 -77.24 0.08 Allowed 'General case' 0 C--N 1.313 -0.983 1 N-CA-C 99.833 -4.136 . . . . 125.36 99.833 176.54 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 110' ' ' LYS . 72.7 m-20 -28.1 -44.85 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.817 1.294 . . . . 82.689999999999998 112.357 175.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.57 -47.42 84.31 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 117.241 -1.784 . . . . 92.349999999999994 111.85 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' 1084 ' ' HOH . 0.2 OUTLIER -62.69 -43.36 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 125.125 1.37 . . . . 90.120000000000005 109.838 -179.003 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.49 -19.38 63.51 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 114.642 1.349 . . . . 100.52 114.642 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 28.6 tptt -89.81 -36.88 14.86 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 107.297 -1.371 . . . . 94.219999999999999 107.297 -179.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 48.6 tt0 -72.87 -13.14 61.22 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 115.342 -2.543 . . . . 143.83000000000001 111.589 175.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 119' ' ' ASN . 1.1 m -84.09 -55.9 3.96 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 120.253 -1.529 . . . . 99.900000000000006 107.635 177.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . 0.694 ' O ' ' ND2' ' A' ' 118' ' ' ASN . 0.2 OUTLIER -65.2 6.09 0.31 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.383 -0.599 . . . . 100.94 109.383 179.258 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -109.39 -30.12 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 123.119 1.437 . . . . 101.08 110.394 178.027 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.06 -35.02 57.02 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 102.75 -3.056 . . . . 101.14 102.75 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . 0.796 ' HE2' ' O ' ' A' 1011 ' ' HOH . 82.9 tttt -58.91 -59.99 4.57 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-O 123.091 1.424 . . . . 92.549999999999997 111.99 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' 1072 ' ' HOH . 61.7 mttt -53.44 -23.38 9.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.614 -1.63 . . . . 104.41 111.305 -178.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -88.49 -15.06 36.29 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 119.541 -0.864 . . . . 131.13999999999999 111.625 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 121' ' ' LYS . 51.1 t80 -82.69 -58.67 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 105.568 -2.012 . . . . 105.7 105.568 -177.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -48.04 -48.99 32.78 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 125.146 1.529 . . . . 91.299999999999997 110.692 172.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.92 -56.83 11.72 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 117.083 -1.847 . . . . 157.09999999999999 109.251 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -29.5 66.95 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 115.648 1.722 . . . . 102.5 115.648 -178.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.22 -56.46 11.19 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.885 -1.895 . . . . 90.730000000000004 105.885 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -44.93 -38.15 4.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.784 0.802 . . . . 101.20999999999999 111.808 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -80.67 -21.12 41.65 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 119.701 -0.8 . . . . 145.28999999999999 110.691 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' VAL . . . . . 0.797 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -83.02 -47.42 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.355 0 N-CA-C 102.615 -3.106 . . . . 80.609999999999999 102.615 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' 1040 ' ' HOH . 32.9 ttt180 -48.57 -59.5 3.45 Favored 'General case' 0 C--O 1.262 1.762 0 CA-C-O 123.325 1.536 . . . . 130.03 112.686 176.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -49.16 -48.32 45.08 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.708 -1.587 . . . . 167.80000000000001 111.02 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.56 71.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.903 -1.044 . . . . 88.150000000000006 112.463 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 131' ' ' VAL . 1.0 OUTLIER -71.26 -48.44 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 122.284 1.04 . . . . 87.329999999999998 110.132 -178.467 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -53.87 -37.25 63.5 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.543 -1.208 . . . . 111.14 110.966 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -73.63 -11.11 60.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.513 1.625 . . . . 123.67 110.139 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.98 43.96 2.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.446 -2.057 . . . . 98.620000000000005 105.446 -178.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.31 51.45 0.16 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 102.1 -3.296 . . . . 112.47 102.1 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 105.324 -2.102 . . . . 118.66 105.324 -179.432 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' B' ' 10' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 113.573 0.953 . . . . 108.25 113.573 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . 0.435 ' HG3' ' CG ' ' A' ' 7' ' ' PRO . 19.7 Cg_endo -42.75 -175.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.622 1 C-N-CA 125.552 4.168 . . . . 113.44 117.392 -179.522 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' B' ' 7' ' ' PRO . 0.3 OUTLIER -104.73 18.94 0.15 Allowed 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.823 3.016 . . . . 140.91999999999999 116.709 179.953 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.04 -17.24 6.29 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 107.043 -1.465 . . . . 121.29000000000001 107.043 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TRP . . . . . 0.609 ' O ' ' HB2' ' B' ' 13' ' ' PHE . 23.9 m0 -98.03 -1.98 41.33 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-N 114.553 -1.203 . . . . 139.88 109.907 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 82.3 mt-30 -63.38 -41.8 70.18 Favored Pre-proline 0 CA--C 1.501 -0.918 0 C-N-CA 117.111 -1.836 . . . . 113.26000000000001 113.45 -175.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' B' ' 11' ' ' GLN . 0.3 OUTLIER -44.95 -28.65 3.21 Favored 'Trans proline' 0 C--O 1.274 2.325 1 C-N-CA 128.788 6.325 . . . . 78.280000000000001 110.961 179.568 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PHE . . . . . 0.791 ' HE1' ' HE ' ' B' ' 108' ' ' ARG . 3.7 m-85 -73.62 -10.77 60.04 Favored 'General case' 0 C--O 1.303 3.872 0 CA-C-N 110.041 -3.254 . . . . 68.969999999999999 110.473 -175.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 17.6 mt -106.31 124.29 49.37 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-N 112.188 -2.278 . . . . 95.799999999999997 114.124 -177.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -47.97 -60.34 2.68 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 118.703 -1.199 . . . . 88.849999999999994 113.889 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.12 -46.39 4.3 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 113.911 1.078 . . . . 129.22 113.911 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.87 -28.49 64.61 Favored 'General case' 0 C--O 1.266 1.949 0 C-N-CA 117.028 -1.869 . . . . 81.180000000000007 110.172 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . 0.617 ' NH1' ' O ' ' B' ' 39' ' ' ALA . 9.0 mtm180 -69.92 -42.79 72.85 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.628 -2.36 . . . . 89.680000000000007 104.628 -178.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' B' ' 20' ' ' SER . 71.5 mt -62.91 -45.61 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 117.743 -1.583 . . . . 82.5 110.478 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . 0.431 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.0 OUTLIER -43.35 -28.22 0.32 Allowed 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.236 -1.024 . . . . 81.950000000000003 108.236 179.797 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 73.6 p -77.46 -15.74 59.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 118.721 2.86 . . . . 97.719999999999999 118.721 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . 0.857 ' CD2' ' HB2' ' B' ' 45' ' ' HIS . 71.7 m-85 -81.14 99.21 8.41 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.915 0.864 . . . . 104.62 110.508 179.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -71.19 -87.89 0.02 OUTLIER 'General case' 0 C--O 1.251 1.164 0 C-N-CA 127.929 2.491 . . . . 156.59 108.894 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . 0.429 ' HB3' ' H ' ' B' ' 25' ' ' TRP . 10.2 t-20 -76.22 -93.19 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.827 -1.916 . . . . 153.03999999999999 105.827 176.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' PHE . 20.4 t-105 77.17 85.67 0.09 OUTLIER Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 105.339 -2.097 . . . . 132.91 105.339 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' PRO . . . . . 0.415 ' HB2' ' CE1' ' B' ' 27' ' ' PHE . 50.4 Cg_exo -50.75 3.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 122.638 2.225 . . . . 155.74000000000001 114.475 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' B' ' 27' ' ' PHE . 5.2 m-85 -126.42 115.53 19.75 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 116.207 1.928 . . . . 121.68000000000001 116.207 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 mt -127.66 -137.0 0.24 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 115.458 1.651 . . . . 115.01000000000001 115.458 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 134.45 29.56 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 106.072 -1.825 . . . . 167.83000000000001 106.072 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.12 -44.66 1.43 Allowed Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 118.46 -1.829 . . . . 95.670000000000002 110.348 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.6 167.76 20.78 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 114.02 1.119 . . . . 111.06 114.02 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.45 -15.75 16.39 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.686 0.755 . . . . 96.629999999999995 109.246 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HE3' ' B' ' 67' ' ' TRP . 8.9 t -96.82 42.32 1.09 Allowed 'General case' 0 C--O 1.258 1.541 0 C-N-CA 128.703 2.801 . . . . 105.43000000000001 109.229 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -73.07 162.01 76.58 Favored Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 113.297 0.851 . . . . 113.23999999999999 113.297 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -58.73 -34.2 98.81 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 118.393 -0.605 . . . . 114.13 112.35 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -66.13 -49.83 66.11 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 117.774 -1.571 . . . . 134.28 112.106 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.78 -22.68 63.31 Favored 'General case' 0 C--O 1.252 1.214 0 N-CA-C 112.433 0.531 . . . . 158.37 112.433 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MET . . . . . 0.811 ' O ' ' HB2' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -91.06 1.93 56.71 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 118.792 -1.163 . . . . 89.280000000000001 113.153 -179.518 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . 0.617 ' O ' ' NH1' ' B' ' 18' ' ' ARG . . . -116.53 -17.2 10.68 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 103.858 -2.645 . . . . 106.92 103.858 179.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 7.12 7.09 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.981 1.425 . . . . 142.43000000000001 109.065 174.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.64 18.96 5.18 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 106.963 -1.495 . . . . 91.689999999999998 106.963 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.28 81.0 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 117.853 -1.526 . . . . 77.469999999999999 115.282 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PHE . . . . . 0.811 ' HB2' ' O ' ' B' ' 38' ' ' MET . 97.0 m-85 -85.33 149.26 25.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 114.662 -2.815 . . . . 81.129999999999995 116.811 -178.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . 0.55 HG13 ' HG2' ' B' ' 18' ' ' ARG . 4.3 mt -129.79 135.8 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.586 0 N-CA-C 103.79 -2.67 . . . . 101.3 103.79 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HIS . . . . . 0.857 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 19.4 t-160 -78.31 117.34 19.47 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.903 -0.406 . . . . 122.08 109.903 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.34 62.77 16.74 Favored Pre-proline 0 C--O 1.268 2.056 0 N-CA-C 106.278 -1.749 . . . . 107.76000000000001 106.278 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PRO . . . . . 0.63 ' HD3' ' CD2' ' B' ' 45' ' ' HIS . 93.0 Cg_endo -64.61 149.87 89.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.317 3.344 . . . . 105.81999999999999 115.021 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . 1.021 HG23 ' HB2' ' B' ' 51' ' ' GLU . 0.5 OUTLIER -144.16 -158.67 0.9 Allowed 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.008 -0.996 . . . . 130.65000000000001 108.814 -179.751 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . 0.524 ' N ' ' OG1' ' B' ' 48' ' ' THR . 4.3 mm-40 -77.13 -54.98 5.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.846 0.355 . . . . 168.44 111.773 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -95.64 14.96 21.26 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 115.369 -0.832 . . . . 144.22999999999999 110.459 -179.645 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 1.021 ' HB2' HG23 ' B' ' 48' ' ' THR . 1.8 mp0 -152.5 41.55 0.2 Allowed Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.559 1.318 . . . . 125.19 114.559 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 57.1 Cg_endo -52.92 -11.42 1.43 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 125.165 3.91 . . . . 124.48 116.575 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -116.75 12.06 14.75 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 124.455 1.097 . . . . 139.93000000000001 112.412 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' MET . . . . . 0.971 ' HG3' ' O ' ' B' 1032 ' ' HOH . 52.1 ttm -74.57 125.42 28.6 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 118.797 2.888 . . . . 135.78999999999999 118.797 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.7 178.59 4.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.297 -0.865 . . . . 102.09999999999999 112.139 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . 0.59 ' O ' ' HA ' ' B' ' 43' ' ' PHE . 55.3 tt0 -162.26 153.28 17.7 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 118.307 -0.854 . . . . 95.420000000000002 110.632 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' H ' ' B' ' 61' ' ' PHE 0.316 0.3 OUTLIER -79.73 150.12 30.94 Favored 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 102.784 -3.043 . . . . 76.909999999999997 102.784 177.751 -137.735 156.37 99.782 95.986 2.184 113.132 -52.814 57.281 4 4 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' B' ' 12' ' ' PRO . 17.3 p90 -86.69 -29.62 22.31 Favored 'General case' 0 C--O 1.195 -1.78 0 N-CA-C 102.675 -3.083 . . . . 90.569999999999993 102.675 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PHE . . . . . 0.541 ' C ' ' CD2' ' B' ' 59' ' ' PHE . 0.8 OUTLIER -83.12 -57.37 3.3 Favored 'General case' 0 C--O 1.262 1.719 0 N-CA-C 121.539 3.903 . . . . 94.319999999999993 121.539 -177.929 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 60' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 61' ' ' PHE . 25.1 p -85.97 -27.0 25.15 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.486 -1.234 . . . . 89.780000000000001 111.472 -179.474 57.281 -52.814 99.782 113.132 2.184 95.986 156.37 -137.735 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . 0.517 ' H ' ' HB3' ' B' ' 57' ' ' CYS . 72.5 m-85 78.97 6.79 2.16 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.843 2.535 . . . . 105.01000000000001 117.843 -179.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' B' ' 80' ' ' HIS . 5.8 tptt -68.49 135.86 52.29 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 115.297 -2.561 . . . . 134.31999999999999 108.331 179.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLU . . . . . 0.684 ' O ' HD12 ' B' ' 64' ' ' LEU . 38.0 mt-10 -97.67 134.94 40.18 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.425 1.09 . . . . 106.36 111.23 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 0.684 HD12 ' O ' ' B' ' 63' ' ' GLU . 0.9 OUTLIER -134.29 130.1 36.55 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 120.801 -1.187 . . . . 95.010000000000005 113.971 -178.75 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.04 -178.88 3.58 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.741 1.617 . . . . 132.25 112.328 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.18 71.18 0.73 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 118.987 -1.578 . . . . 105.20999999999999 115.675 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TRP . . . . . 0.492 ' HE3' ' SG ' ' B' ' 33' ' ' CYS . 71.6 m95 -98.74 146.53 25.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.38 -1.711 . . . . 100.63 106.38 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD2' ' B' ' 71' ' ' ASP . 52.3 mt-10 -136.12 140.67 33.72 Favored Pre-proline 0 C--O 1.248 1.001 0 N-CA-C 107.997 -1.112 . . . . 149.84999999999999 107.997 176.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -30.65 -30.58 0.02 OUTLIER 'Trans proline' 0 C--O 1.254 1.324 1 C-N-CA 127.374 5.382 . . . . 117.83 116.56 -178.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' B' ' 68' ' ' GLU . 15.6 m-20 -98.96 -11.82 21.22 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 116.298 1.962 . . . . 135.84999999999999 116.298 -173.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 87.1 m-20 -54.54 123.37 12.92 Favored 'General case' 0 CA--C 1.58 2.105 0 O-C-N 126.863 2.602 . . . . 115.7 111.279 176.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.28 104.7 12.9 Favored Pre-proline 0 CA--C 1.557 1.218 0 N-CA-C 105.191 -2.152 . . . . 128.13999999999999 105.191 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PRO . . . . . 0.569 ' HB3' ' HG2' ' B' ' 38' ' ' MET . 3.0 Cg_exo -50.11 -41.99 47.54 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 N-CA-C 116.948 1.865 . . . . 104.31999999999999 116.948 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.06 -51.29 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.316 -0.865 . . . . 99.650000000000006 110.622 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 75' ' ' GLU . 4.6 mm-40 -57.35 -51.11 70.7 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.108 -0.951 . . . . 162.09 112.281 177.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 46.9 mm-40 -54.03 -34.64 60.52 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 118.753 -1.179 . . . . 123.93000000000001 111.267 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 87' ' ' LEU . 7.8 t-160 -71.15 -47.38 58.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 114.546 -1.206 . . . . 95.629999999999995 111.579 -177.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.93 -31.32 72.37 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.366 1.067 . . . . 117.83 111.825 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -104.42 42.85 1.15 Allowed 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 113.688 0.995 . . . . 153.58000000000001 113.688 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HIS . . . . . 0.534 ' O ' ' HD3' ' B' ' 62' ' ' LYS . 26.9 m-70 -167.41 -6.78 0.02 OUTLIER 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.435 -1.257 . . . . 117.19 108.926 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -166.24 104.01 0.64 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 104.368 -2.456 . . . . 117.86 104.368 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 46.9 t -98.43 -23.75 15.45 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.097 -1.445 . . . . 161.28 107.097 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.7 70.13 0.6 Allowed Glycine 0 C--O 1.25 1.15 0 CA-C-O 124.382 2.101 . . . . 137.21000000000001 111.686 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' B' ' 86' ' ' PHE . 1.2 t -138.07 105.11 5.42 Favored 'General case' 0 N--CA 1.409 -2.513 0 N-CA-C 105.702 -1.962 . . . . 105.2 105.702 -179.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.9 -34.56 9.15 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.912 -0.585 . . . . 107.11 112.516 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' PHE . . . . . 0.42 ' HB3' ' SG ' ' B' ' 84' ' ' CYS . 38.7 t80 -49.37 -53.47 22.29 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.673 1.36 . . . . 98.390000000000001 114.673 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' B' ' 77' ' ' HIS . 18.5 mt -51.41 -32.4 26.26 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 112.688 0.625 . . . . 100.72 112.688 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' B' ' 90' ' ' LYS . 0.0 OUTLIER -80.47 -14.43 58.28 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.072 1.138 . . . . 90.739999999999995 114.072 178.355 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.21 103.82 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.245 0 CA-C-O 121.646 0.736 . . . . 91.159999999999997 110.345 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 88' ' ' SER . 71.6 mmtt -90.7 -29.36 17.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.032 -1.894 . . . . 137.63999999999999 114.515 -179.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -75.37 151.31 38.21 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 115.736 1.754 . . . . 121.40000000000001 115.736 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . 0.449 ' OE1' ' HA ' ' B' ' 92' ' ' GLN . 5.0 mm-40 -69.77 154.08 42.47 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 105.936 -1.875 . . . . 132.49000000000001 105.936 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 96' ' ' LEU . 69.1 t80 -43.93 -64.64 0.63 Allowed 'General case' 0 C--O 1.259 1.587 0 CA-C-O 121.982 0.896 . . . . 105.56999999999999 111.371 -179.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . 0.864 ' O ' HG22 ' A' ' 97' ' ' THR . 50.1 mt-10 -57.13 -10.11 1.11 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 117.134 2.272 . . . . 130.58000000000001 117.134 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' B' ' 95' ' ' GLU . 5.9 tp10 -101.38 1.08 38.1 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 123.31 1.528 . . . . 122.0 108.098 -179.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . 0.751 ' O ' HD23 ' A' ' 98' ' ' LEU . 17.4 mt -74.52 145.42 43.51 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 114.086 -1.415 . . . . 97.189999999999998 110.501 174.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' THR . . . . . 1.001 HG22 ' H ' ' B' ' 100' ' ' GLU . 0.7 OUTLIER -80.89 151.36 28.65 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 105.061 -2.2 . . . . 93.069999999999993 105.061 175.708 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -57.72 -38.39 75.2 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 108.236 -1.024 . . . . 84.689999999999998 108.236 177.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . 0.531 ' H ' HG23 ' B' ' 97' ' ' THR . . . -62.74 -60.67 7.4 Favored Glycine 0 C--N 1.342 0.872 0 O-C-N 125.27 1.606 . . . . 79.840000000000003 110.022 178.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLU . . . . . 1.001 ' H ' HG22 ' B' ' 97' ' ' THR . 65.6 mt-10 -50.98 -50.9 57.35 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.233 -0.655 . . . . 99.709999999999994 109.233 179.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -52.12 -42.48 63.33 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 118.869 -1.132 . . . . 77.129999999999995 110.464 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 102' ' ' LEU . 0.0 OUTLIER -67.09 -36.47 82.05 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 123.184 1.469 . . . . 94.519999999999996 114.246 178.641 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LYS . . . . . 0.534 ' HG3' ' O4 ' ' B' ' 502' ' ' SO4 . 71.3 tttt -58.95 -52.08 67.28 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 106.922 -1.51 . . . . 116.70999999999999 106.922 174.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.72 -34.86 69.92 Favored 'General case' 0 CA--C 1.472 -2.043 0 C-N-CA 119.22 -0.992 . . . . 72.739999999999995 113.011 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.07 -26.75 56.8 Favored 'General case' 0 C--O 1.301 3.797 0 C-N-CA 116.747 -1.981 . . . . 132.49000000000001 109.334 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -43.21 68.12 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 116.248 -2.181 . . . . 135.43000000000001 105.863 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -65.09 -43.08 93.28 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.178 0.444 . . . . 95.890000000000001 110.251 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ARG . . . . . 0.791 ' HE ' ' HE1' ' B' ' 13' ' ' PHE . 28.1 ttp85 -55.25 -49.71 71.33 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 116.543 -2.063 . . . . 93.640000000000001 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.28 71.11 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 115.772 -2.371 . . . . 95.75 111.519 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -59.29 -66.52 0.5 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 106.53 -1.656 . . . . 128.43000000000001 106.53 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -42.5 -39.1 2.15 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.228 1.196 . . . . 94.099999999999994 114.228 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -63.72 -36.42 83.79 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.335 -1.746 . . . . 106.45 109.135 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ILE . . . . . 0.495 HD13 ' OE2' ' B' ' 116' ' ' GLU . 1.1 mm -65.27 -59.39 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.197 -1.409 . . . . 88.700000000000003 107.197 179.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ALA . . . . . 0.409 ' N ' HG22 ' B' ' 113' ' ' ILE . . . -40.45 -60.23 1.15 Allowed 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.884 -1.524 . . . . 92.760000000000005 106.884 176.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.7 -36.64 67.39 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 117.675 2.472 . . . . 107.70999999999999 117.675 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' OE2' HD13 ' B' ' 113' ' ' ILE . 2.7 pt-20 -79.69 -24.49 41.71 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.316 -2.154 . . . . 147.03999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 91.8 m -66.29 -49.02 68.51 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 105.986 -1.857 . . . . 108.15000000000001 105.986 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -39.56 75.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.566 -0.743 . . . . 112.94 110.293 179.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' B' ' 116' ' ' GLU . 9.8 m120 -61.6 -49.09 78.02 Favored 'General case' 0 CA--C 1.468 -2.185 0 C-N-CA 118.256 -1.378 . . . . 118.40000000000001 112.106 178.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -57.35 -37.58 72.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 116.689 -1.624 . . . . 100.51000000000001 108.621 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -61.75 -52.88 62.43 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 120.708 1.595 . . . . 134.53999999999999 109.887 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.16 -47.75 74.71 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.712 -0.676 . . . . 102.34 110.091 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.47 -40.11 93.34 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 118.74 -1.184 . . . . 150.58000000000001 112.301 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.4 -54.33 34.49 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 118.097 -0.954 . . . . 102.36 108.695 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.15 -38.34 68.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 120.007 1.276 . . . . 157.44999999999999 113.948 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -48.27 78.04 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 121.542 0.687 . . . . 146.37 110.396 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -65.62 -42.35 91.64 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.343 -0.844 . . . . 84.420000000000002 110.226 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.02 -52.38 43.56 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.725 -1.213 . . . . 91.609999999999999 107.725 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -58.15 -44.77 88.06 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.219 0.95 . . . . 111.09999999999999 112.647 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -62.65 -41.81 99.26 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 117.531 -1.667 . . . . 119.36 108.928 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.3 -0.875 . . . . 77.189999999999998 112.181 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' B' 1043 ' ' HOH . 9.7 ttm180 -49.16 -54.14 17.73 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.319 1.229 . . . . 134.31 114.319 177.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ARG . . . . . 0.545 ' HG2' ' N ' ' B' ' 134' ' ' ALA . 1.6 ttt180 -52.44 -53.23 48.08 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-N 113.55 -1.659 . . . . 166.68000000000001 109.48 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 134' ' ' ALA . . . . . 0.545 ' N ' ' HG2' ' B' ' 133' ' ' ARG . . . -60.19 -31.6 70.29 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.257 1.206 . . . . 83.629999999999995 114.257 -175.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 132' ' ' ARG . 0.1 OUTLIER -79.5 -41.99 22.7 Favored 'Isoleucine or valine' 0 C--O 1.26 1.646 0 O-C-N 124.069 0.856 . . . . 104.59 109.51 -178.371 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' B' ' 135' ' ' ILE . 26.9 mt-10 -51.9 -63.45 1.13 Allowed 'General case' 0 C--O 1.24 0.555 0 N-CA-C 105.644 -1.984 . . . . 117.79000000000001 105.644 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -42.81 -23.26 0.04 OUTLIER 'General case' 0 C--O 1.26 1.655 0 N-CA-C 117.218 2.303 . . . . 108.75 117.218 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 tp -79.73 -31.55 41.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.211 -1.403 . . . . 94.599999999999994 107.211 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.79 67.89 9.96 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 106.014 -1.847 . . . . 112.51000000000001 106.014 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.718 0 C-N-CA 125.723 1.609 . . . . 134.41 109.001 -176.318 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' SO4 . . . . . 0.574 ' O2 ' ' NZ ' ' A' ' 103' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 342' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' SO4 . . . . . 0.534 ' O4 ' ' HG3' ' B' ' 103' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1000 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . 0.873 ' O ' ' HG2' ' A' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . 0.621 ' O ' ' HG3' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . 0.547 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . 0.796 ' O ' ' HE2' ' A' ' 121' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . 0.82 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1024 ' ' HOH . . . . . 0.504 ' O ' HD11 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1025 ' ' HOH . . . . . 0.693 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1026 ' ' HOH . . . . . 0.728 ' O ' ' CB ' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1027 ' ' HOH . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1030 ' ' HOH . . . . . 0.679 ' O ' HG12 ' A' ' 131' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1031 ' ' HOH . . . . . 0.628 ' O ' ' OE2' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1040 ' ' HOH . . . . . 0.436 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1060 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1064 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1072 ' ' HOH . . . . . 0.545 ' O ' ' HD2' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1084 ' ' HOH . . . . . 0.569 ' O ' HD13 ' A' ' 113' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1032 ' ' HOH . . . . . 0.971 ' O ' ' HG3' ' B' ' 54' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1043 ' ' HOH . . . . . 0.6 ' O ' ' NH2' ' B' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1059 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' HD12 ' A' ' 6' ' ' LEU . 41.8 m . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 119.851 -0.119 . . . . 169.76 111.008 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' 1024 ' ' HOH . 6.5 mp -114.04 161.09 29.8 Favored Pre-proline 0 C--O 1.25 1.099 0 C-N-CA 123.69 0.796 . . . . 137.52 110.392 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 6' ' ' LEU . 15.5 Cg_exo -56.02 122.55 11.96 Favored 'Trans proline' 0 C--N 1.351 0.67 0 N-CA-C 108.897 -1.232 . . . . 131.06 108.897 -179.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.811 ' HA ' HE21 ' A' ' 11' ' ' GLN . 0.3 OUTLIER -30.45 -52.9 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.196 1 C-N-CA 125.557 4.172 . . . . 121.35 117.98 -179.751 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 5.34 0.66 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.086 1.143 . . . . 105.13 114.086 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.968 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 36.8 m0 -114.99 -17.12 11.57 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 114.273 1.212 . . . . 148.77 114.273 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 8' ' ' PRO . 28.1 mt-30 -47.33 -50.49 48.24 Favored Pre-proline 0 CA--C 1.495 -1.147 0 CA-C-O 117.599 -1.191 . . . . 108.26 113.422 179.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 11' ' ' GLN . 2.5 Cg_endo -41.58 -25.2 0.29 Allowed 'Trans proline' 0 C--O 1.306 3.908 0 C-N-CA 124.82 3.68 . . . . 86.9 109.583 179.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.968 ' HB2' ' O ' ' A' ' 10' ' ' TRP . 1.2 m-85 -73.9 -22.02 59.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 112.26 -2.246 . . . . 67.94 110.175 -176.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 38.3 mt -94.85 106.23 18.21 Favored 'General case' 0 C--O 1.285 2.942 0 C-N-CA 127.292 2.237 . . . . 76.54 113.067 -176.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HZ2' ' HB3' ' A' ' 40' ' ' GLU . 38.9 tttt -38.53 -47.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 121.242 3.793 . . . . 98.59 121.242 176.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -66.22 -16.24 63.84 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 118.457 -1.297 . . . . 96.1 109.025 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 79.5 t60 -74.27 -50.46 18.87 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 88.12 108.5 179.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.793 ' HG2' HD11 ' A' ' 44' ' ' ILE . 30.9 mtt180 -57.12 -65.54 0.6 Allowed 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 112.829 -1.987 . . . . 97.7 107.716 178.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.5 mt -31.23 -49.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 119.6 -0.84 . . . . 83.45 112.607 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -62.08 -18.39 60.55 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 115.935 1.828 . . . . 73.12 115.935 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p -78.02 -36.25 48.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.635 -1.174 . . . . 97.91 109.604 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' HD1' ' H ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -61.66 102.55 0.26 Allowed 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.628 1.205 . . . . 89.3 111.704 175.809 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 61.3 mttt -132.38 124.63 29.08 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 100.609 -3.848 . . . . 134.02 100.609 179.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.6 m120 73.37 23.58 2.51 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 113.209 -1.814 . . . . 125.73 108.099 -178.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -71.57 147.45 92.33 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 100.459 -3.904 . . . . 78.92 100.459 174.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.648 ' HG2' ' CD1' ' A' ' 27' ' ' PHE . 2.9 Cg_endo -96.44 -32.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.331 -0.384 0 N-CA-C 118.715 2.544 . . . . 104.04 118.715 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.648 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 50.8 m-85 -80.37 96.76 6.78 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.869 -0.789 . . . . 113.66 108.869 -177.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -111.12 -135.95 0.36 Allowed 'General case' 0 C--O 1.279 2.612 0 N-CA-C 119.482 3.141 . . . . 80.19 119.482 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.65 124.82 11.66 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 122.973 1.368 . . . . 133.36 111.535 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.79 -39.41 2.75 Favored Glycine 0 N--CA 1.437 -1.298 0 C-N-CA 116.227 -2.892 . . . . 69.28 109.437 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.47 152.98 42.57 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 119.615 1.707 . . . . 86.43 111.129 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.88 -16.77 54.72 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.466 1.106 . . . . 69.88 111.981 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.739 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 14.5 p -117.91 53.74 0.94 Allowed 'General case' 1 C--O 1.33 5.332 0 CA-C-O 124.168 1.937 . . . . 80.51 115.615 -178.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.82 ' HB ' ' O ' ' A' 1013 ' ' HOH . 4.8 p -69.05 156.16 92.1 Favored Pre-proline 0 C--O 1.27 2.176 0 CA-C-N 111.501 -2.59 . . . . 79.37 106.317 177.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' 1013 ' ' HOH . 84.1 Cg_exo -45.31 -45.32 15.35 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.405 2.07 . . . . 83.6 110.242 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -56.76 -46.36 81.5 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-N 113.515 -1.675 . . . . 113.23 112.907 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 37' ' ' ARG . 4.3 mmm180 -76.32 -23.96 54.29 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 118.713 -1.195 . . . . 148.16 112.806 -178.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . 0.749 ' CE ' ' HB3' ' A' ' 73' ' ' PRO . 3.0 mmt -69.2 -57.24 5.62 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 101.426 -3.546 . . . . 101.19 101.426 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.43 -47.13 38.17 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.533 2.049 . . . . 69.48 116.533 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' 1008 ' ' HOH . 5.4 pt-20 -65.5 -9.61 27.53 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 117.073 -1.851 . . . . 148.84 108.297 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' MET . . . -100.37 -11.55 20.16 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 118.279 -1.368 . . . . 82.28 111.383 -176.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.7 -3.52 24.58 Favored Glycine 0 C--O 1.277 2.825 0 C-N-CA 118.161 -1.971 . . . . 79.89 117.151 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.5 156.01 20.28 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 116.384 1.994 . . . . 63.76 116.384 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.793 HD11 ' HG2' ' A' ' 18' ' ' ARG . 16.0 mm -130.68 142.11 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 103.577 -2.749 . . . . 88.42 103.577 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -78.81 123.51 27.28 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.682 0.993 . . . . 94.1 113.682 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' A' 1003 ' ' HOH . 98.2 m -127.05 70.13 74.38 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 107.678 -1.23 . . . . 103.92 107.678 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.69 119.38 6.06 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 N-CA-C 117.415 2.044 . . . . 116.24 117.415 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . 0.913 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 75.9 m -89.27 162.83 15.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 102.465 -3.161 . . . . 122.61 102.465 176.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 48' ' ' THR . 8.5 tp10 -69.38 -31.34 69.67 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.894 -2.632 . . . . 174.47 103.894 177.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.648 ' H ' HG22 ' A' ' 48' ' ' THR . 3.8 m120 -100.49 9.58 42.38 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.845 -1.07 . . . . 172.02 113.411 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.913 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.7 mm-40 -154.5 73.25 6.06 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 123.968 0.792 . . . . 166.0 109.651 -179.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -86.33 7.14 5.11 Favored 'Trans proline' 0 C--O 1.185 -2.126 0 N-CA-C 120.057 3.06 . . . . 98.12 120.057 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.626 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 17.4 p-10 -121.72 24.16 9.85 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 101.793 -3.41 . . . . 128.56 101.793 178.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . 0.721 ' HE3' ' O ' ' A' ' 64' ' ' LEU . 4.6 tpt -73.27 117.81 15.47 Favored 'General case' 0 C--O 1.265 1.92 0 CA-C-N 114.674 -1.148 . . . . 102.57 112.735 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.35 136.66 36.59 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 115.987 1.847 . . . . 83.38 115.987 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.873 ' HG2' ' O ' ' A' 1003 ' ' HOH . 0.8 OUTLIER -127.79 144.5 51.08 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 119.281 3.067 . . . . 77.64 119.281 174.791 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.5 t -51.6 110.7 0.48 Allowed 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 129.518 3.127 . . . . 73.61 105.716 170.588 175.787 -169.37 89.245 106.114 2.046 124.44 2.537 33.516 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.3 p90 -54.18 -27.83 36.46 Favored 'General case' 0 CA--C 1.602 2.954 0 C-N-CA 127.13 2.172 . . . . 80.51 111.808 177.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.968 ' HE2' ' HB3' ' A' ' 85' ' ' ALA . 6.3 t80 -81.0 -77.58 0.2 Allowed 'General case' 0 CA--C 1.607 3.143 0 C-N-CA 125.991 1.716 . . . . 93.56 113.572 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . 0.445 0.8 OUTLIER -88.45 80.75 7.35 Favored 'General case' 0 CA--C 1.467 -2.225 1 C-N-CA 131.917 4.087 . . . . 112.16 104.827 179.738 33.516 2.537 89.245 124.44 2.046 106.114 -169.37 175.787 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.659 ' HD1' ' H ' ' A' ' 61' ' ' PHE 0.288 2.9 m-85 -42.36 21.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 128.967 6.654 . . . . 69.26 128.967 -168.693 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.824 ' HE3' ' O ' ' A' ' 80' ' ' HIS . 13.1 ttmm -52.84 136.79 33.4 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-N 114.233 -1.349 . . . . 103.6 114.455 175.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.558 ' O ' HD23 ' A' ' 64' ' ' LEU . 14.4 mt-10 -111.4 154.97 23.85 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.538 -1.665 . . . . 96.53 111.204 177.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.721 ' O ' ' HE3' ' A' ' 54' ' ' MET . 90.7 mt -151.58 140.69 21.22 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 114.172 1.175 . . . . 96.7 114.172 -178.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.49 176.48 8.12 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 104.241 -2.503 . . . . 152.41 104.241 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . 85.16 47.82 5.08 Favored Glycine 0 C--N 1.355 1.625 0 O-C-N 126.862 2.601 . . . . 88.88 113.907 176.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -85.9 125.73 33.54 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.118 0.784 . . . . 110.78 113.118 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.628 ' OE2' ' O ' ' A' 1031 ' ' HOH . 4.8 mt-10 -112.87 135.29 21.64 Favored Pre-proline 0 N--CA 1.474 0.774 0 N-CA-C 107.67 -1.233 . . . . 113.26 107.67 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 27' ' ' PHE . 15.1 Cg_exo -38.75 -16.29 0.03 OUTLIER 'Trans proline' 0 C--O 1.245 0.867 1 C-N-CA 126.034 4.489 . . . . 105.72 117.003 -179.677 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -100.36 -7.32 24.57 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.595 1.702 . . . . 115.57 115.595 -174.837 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.739 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 95.2 m-20 -73.09 119.73 17.74 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.082 2.252 . . . . 112.98 117.082 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -78.81 103.6 1.57 Allowed Pre-proline 0 CA--C 1.624 3.818 0 C-N-CA 126.484 1.913 . . . . 95.41 108.247 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.749 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 39.8 Cg_exo -56.25 -21.2 34.96 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 116.636 1.745 . . . . 78.59 116.636 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.89 -78.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.364 0 C-N-CA 119.425 -0.91 . . . . 80.08 110.98 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.728 ' CB ' ' O ' ' A' 1026 ' ' HOH . 0.1 OUTLIER -46.82 -25.95 0.86 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 113.511 0.93 . . . . 130.63 113.511 179.725 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' 1026 ' ' HOH . 3.4 mm-40 -59.39 -61.08 2.9 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 123.582 1.658 . . . . 107.41 106.99 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' CE1' HD21 ' A' ' 87' ' ' LEU . 4.0 t-160 -48.3 -45.98 35.54 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 113.455 -1.702 . . . . 109.36 112.634 177.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -68.7 -15.05 63.4 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.689 -0.632 . . . . 103.92 109.73 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.676 ' NZ ' ' O ' ' A' 1025 ' ' HOH . 48.9 tttt -84.55 -63.09 1.4 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.521 -2.029 . . . . 105.52 105.521 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.824 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 26.1 m170 -78.59 5.32 11.24 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 119.222 3.045 . . . . 120.26 119.222 -179.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' GLY . 9.7 t -161.87 33.35 0.12 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.384 0.883 . . . . 89.57 113.384 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t -27.37 -35.68 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.452 2.019 . . . . 106.9 116.452 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' SER . . . -94.62 36.53 3.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 117.628 1.811 . . . . 96.08 117.628 -179.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.657 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . 15.1 t -90.45 131.73 36.04 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 101.994 -3.335 . . . . 113.86 101.994 178.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.968 ' HB3' ' HE2' ' A' ' 59' ' ' PHE . . . -71.31 -40.68 70.65 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.005 -1.452 . . . . 97.09 109.467 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 43.4 t80 -39.73 -49.92 2.31 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 119.833 -0.747 . . . . 98.4 112.654 177.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.657 ' HG ' ' HB3' ' A' ' 84' ' ' CYS . 4.1 mt -55.77 -20.79 16.16 Favored 'General case' 0 CA--C 1.486 -1.499 0 N-CA-C 114.601 1.334 . . . . 88.69 114.601 -177.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 p -96.01 -1.62 48.56 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.503 -2.079 . . . . 112.57 111.557 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.586 ' HB ' ' O ' ' A' ' 86' ' ' PHE . 2.9 t -77.22 92.66 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 C-N-CA 127.065 2.146 . . . . 87.54 114.185 179.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' 1027 ' ' HOH . 11.1 pttt -105.69 66.99 0.74 Allowed 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 114.729 -1.123 . . . . 129.61 113.454 -178.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -162.16 148.54 13.39 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.07 -2.567 . . . . 88.49 104.07 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -77.12 165.74 24.19 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 115.469 -2.493 . . . . 141.54 106.385 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.35 -68.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.248 -1.342 . . . . 101.89 113.067 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' O ' HG23 ' B' ' 97' ' ' THR . 0.1 OUTLIER -54.82 -14.01 1.26 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 116.798 2.148 . . . . 121.36 116.798 -176.994 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 1009 ' ' HOH . 37.3 tt0 -88.01 2.97 50.51 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 122.313 1.054 . . . . 141.28 113.312 -177.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.69 147.66 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 114.49 1.293 . . . . 103.7 114.49 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 94' ' ' GLU . 6.7 m -74.86 130.58 39.68 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 117.311 -1.328 . . . . 100.92 108.655 175.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.751 HD23 ' O ' ' B' ' 96' ' ' LEU . 0.3 OUTLIER -43.53 -28.58 0.38 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.84 1.2 . . . . 84.94 108.523 177.08 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.94 -72.86 0.58 Allowed Glycine 0 C--O 1.243 0.689 0 N-CA-C 106.001 -2.84 . . . . 85.81 106.001 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -35.08 -45.58 0.29 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.069 1.89 . . . . 97.04 113.588 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -68.01 -51.24 49.29 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.137 -1.392 . . . . 92.64 114.755 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.34 -32.9 72.79 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 115.72 -0.673 . . . . 84.07 110.633 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 8.6 tttp -59.95 -51.26 70.45 Favored 'General case' 0 C--N 1.255 -3.506 0 C-N-CA 124.316 1.046 . . . . 108.92 109.24 172.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.03 -28.63 67.56 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.863 -0.735 . . . . 91.16 110.064 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.33 -8.91 57.88 Favored 'General case' 0 N--CA 1.437 -1.08 1 C-N-CA 111.138 -4.225 . . . . 109.67 107.034 -178.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 103' ' ' LYS . 70.7 mtm-85 -83.42 -56.27 3.84 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 114.81 -2.519 . . . . 93.35 107.727 178.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 108' ' ' ARG . 24.7 mt-10 -49.61 -50.32 43.32 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 115.435 -2.506 . . . . 115.67 112.748 174.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -42.8 -59.03 2.11 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 121.4 -0.812 . . . . 89.78 109.125 179.126 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.04 70.87 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 115.959 -2.296 . . . . 79.51 114.597 -173.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 111' ' ' ASN . 17.5 ttmt -69.4 -77.24 0.08 Allowed 'General case' 0 C--N 1.313 -0.983 1 N-CA-C 99.833 -4.136 . . . . 125.36 99.833 176.54 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.507 ' C ' ' O ' ' A' ' 110' ' ' LYS . 72.7 m-20 -28.1 -44.85 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.817 1.294 . . . . 82.69 112.357 175.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.57 -47.42 84.31 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 117.241 -1.784 . . . . 92.35 111.85 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' 1084 ' ' HOH . 0.2 OUTLIER -62.69 -43.36 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 125.125 1.37 . . . . 90.12 109.838 -179.003 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.49 -19.38 63.51 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 114.642 1.349 . . . . 100.52 114.642 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 28.6 tptt -89.81 -36.88 14.86 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 107.297 -1.371 . . . . 94.22 107.297 -179.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 48.6 tt0 -72.87 -13.14 61.22 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 115.342 -2.543 . . . . 143.83 111.589 175.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 119' ' ' ASN . 1.1 m -84.09 -55.9 3.96 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 120.253 -1.529 . . . . 99.9 107.635 177.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.546 ' OD1' ' O ' ' A' ' 118' ' ' ASN . 18.4 t-20 -65.2 6.09 0.31 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.383 -0.599 . . . . 100.94 109.383 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -109.39 -30.12 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 123.119 1.437 . . . . 101.08 110.394 178.027 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.06 -35.02 57.02 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 102.75 -3.056 . . . . 101.14 102.75 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.796 ' HE2' ' O ' ' A' 1011 ' ' HOH . 82.9 tttt -58.91 -59.99 4.57 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-O 123.091 1.424 . . . . 92.55 111.99 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' 1072 ' ' HOH . 61.7 mttt -53.44 -23.38 9.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.614 -1.63 . . . . 104.41 111.305 -178.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -88.49 -15.06 36.29 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 119.541 -0.864 . . . . 131.14 111.625 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 121' ' ' LYS . 51.1 t80 -82.69 -58.67 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 105.568 -2.012 . . . . 105.7 105.568 -177.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -48.04 -48.99 32.78 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 125.146 1.529 . . . . 91.3 110.692 172.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.92 -56.83 11.72 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 117.083 -1.847 . . . . 157.1 109.251 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -29.5 66.95 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 115.648 1.722 . . . . 102.5 115.648 -178.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.22 -56.46 11.19 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.885 -1.895 . . . . 90.73 105.885 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -44.93 -38.15 4.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.784 0.802 . . . . 101.21 111.808 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -80.67 -21.12 41.65 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 119.701 -0.8 . . . . 145.29 110.691 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.797 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -83.02 -47.42 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.355 0 N-CA-C 102.615 -3.106 . . . . 80.61 102.615 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' 1040 ' ' HOH . 32.9 ttt180 -48.57 -59.5 3.45 Favored 'General case' 0 C--O 1.262 1.762 0 CA-C-O 123.325 1.536 . . . . 130.03 112.686 176.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -49.16 -48.32 45.08 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.708 -1.587 . . . . 167.8 111.02 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.56 71.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.903 -1.044 . . . . 88.15 112.463 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 131' ' ' VAL . 1.0 OUTLIER -71.26 -48.44 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 122.284 1.04 . . . . 87.33 110.132 -178.467 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -53.87 -37.25 63.5 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.543 -1.208 . . . . 111.14 110.966 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -73.63 -11.11 60.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.513 1.625 . . . . 123.67 110.139 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.98 43.96 2.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.446 -2.057 . . . . 98.62 105.446 -178.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.31 51.45 0.16 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 102.1 -3.296 . . . . 112.47 102.1 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 105.324 -2.102 . . . . 118.66 105.324 -179.432 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' B' ' 10' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 113.573 0.953 . . . . 108.25 113.573 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.435 ' HG3' ' CG ' ' A' ' 7' ' ' PRO . 19.7 Cg_endo -42.75 -175.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.622 1 C-N-CA 125.552 4.168 . . . . 113.44 117.392 -179.522 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' B' ' 7' ' ' PRO . 0.3 OUTLIER -104.73 18.94 0.15 Allowed 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.823 3.016 . . . . 140.92 116.709 179.953 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.04 -17.24 6.29 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 107.043 -1.465 . . . . 121.29 107.043 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.609 ' O ' ' HB2' ' B' ' 13' ' ' PHE . 23.9 m0 -98.03 -1.98 41.33 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-N 114.553 -1.203 . . . . 139.88 109.907 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 82.3 mt-30 -63.38 -41.8 70.18 Favored Pre-proline 0 CA--C 1.501 -0.918 0 C-N-CA 117.111 -1.836 . . . . 113.26 113.45 -175.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' B' ' 11' ' ' GLN . 0.3 OUTLIER -44.95 -28.65 3.21 Favored 'Trans proline' 0 C--O 1.274 2.325 1 C-N-CA 128.788 6.325 . . . . 78.28 110.961 179.568 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PHE . . . . . 0.791 ' HE1' ' HE ' ' B' ' 108' ' ' ARG . 3.7 m-85 -73.62 -10.77 60.04 Favored 'General case' 0 C--O 1.303 3.872 0 CA-C-N 110.041 -3.254 . . . . 68.97 110.473 -175.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 17.6 mt -106.31 124.29 49.37 Favored 'General case' 0 C--O 1.272 2.248 0 CA-C-N 112.188 -2.278 . . . . 95.8 114.124 -177.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -47.97 -60.34 2.68 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 118.703 -1.199 . . . . 88.85 113.889 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.12 -46.39 4.3 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 113.911 1.078 . . . . 129.22 113.911 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.87 -28.49 64.61 Favored 'General case' 0 C--O 1.266 1.949 0 C-N-CA 117.028 -1.869 . . . . 81.18 110.172 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.617 ' NH1' ' O ' ' B' ' 39' ' ' ALA . 9.0 mtm180 -69.92 -42.79 72.85 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.628 -2.36 . . . . 89.68 104.628 -178.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' B' ' 20' ' ' SER . 71.5 mt -62.91 -45.61 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 117.743 -1.583 . . . . 82.5 110.478 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . 0.431 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.0 OUTLIER -43.35 -28.22 0.32 Allowed 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.236 -1.024 . . . . 81.95 108.236 179.797 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 73.6 p -77.46 -15.74 59.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 118.721 2.86 . . . . 97.72 118.721 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . 0.857 ' CD2' ' HB2' ' B' ' 45' ' ' HIS . 71.7 m-85 -81.14 99.21 8.41 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.915 0.864 . . . . 104.62 110.508 179.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -71.19 -87.89 0.02 OUTLIER 'General case' 0 C--O 1.251 1.164 0 C-N-CA 127.929 2.491 . . . . 156.59 108.894 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.436 HD22 ' HA ' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -93.19 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.827 -1.916 . . . . 153.04 105.827 176.26 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' B' ' 27' ' ' PHE . 20.4 t-105 77.17 85.67 0.09 OUTLIER Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 105.339 -2.097 . . . . 132.91 105.339 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.415 ' HB2' ' CE1' ' B' ' 27' ' ' PHE . 50.4 Cg_exo -50.75 3.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 122.638 2.225 . . . . 155.74 114.475 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' B' ' 27' ' ' PHE . 5.2 m-85 -126.42 115.53 19.75 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 116.207 1.928 . . . . 121.68 116.207 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 mt -127.66 -137.0 0.24 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 115.458 1.651 . . . . 115.01 115.458 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 134.45 29.56 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 106.072 -1.825 . . . . 167.83 106.072 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.12 -44.66 1.43 Allowed Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 118.46 -1.829 . . . . 95.67 110.348 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.6 167.76 20.78 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 114.02 1.119 . . . . 111.06 114.02 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.45 -15.75 16.39 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.686 0.755 . . . . 96.63 109.246 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' HE3' ' B' ' 67' ' ' TRP . 8.9 t -96.82 42.32 1.09 Allowed 'General case' 0 C--O 1.258 1.541 0 C-N-CA 128.703 2.801 . . . . 105.43 109.229 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -73.07 162.01 76.58 Favored Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 113.297 0.851 . . . . 113.24 113.297 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -58.73 -34.2 98.81 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 118.393 -0.605 . . . . 114.13 112.35 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -66.13 -49.83 66.11 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 117.774 -1.571 . . . . 134.28 112.106 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.78 -22.68 63.31 Favored 'General case' 0 C--O 1.252 1.214 0 N-CA-C 112.433 0.531 . . . . 158.37 112.433 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MET . . . . . 0.811 ' O ' ' HB2' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -91.06 1.93 56.71 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 118.792 -1.163 . . . . 89.28 113.153 -179.518 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.617 ' O ' ' NH1' ' B' ' 18' ' ' ARG . . . -116.53 -17.2 10.68 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 103.858 -2.645 . . . . 106.92 103.858 179.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 7.12 7.09 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.981 1.425 . . . . 142.43 109.065 174.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.64 18.96 5.18 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 106.963 -1.495 . . . . 91.69 106.963 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.28 81.0 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 117.853 -1.526 . . . . 77.47 115.282 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.811 ' HB2' ' O ' ' B' ' 38' ' ' MET . 97.0 m-85 -85.33 149.26 25.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 114.662 -2.815 . . . . 81.13 116.811 -178.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.55 HG13 ' HG2' ' B' ' 18' ' ' ARG . 4.3 mt -129.79 135.8 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.586 0 N-CA-C 103.79 -2.67 . . . . 101.3 103.79 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HIS . . . . . 0.857 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 19.4 t-160 -78.31 117.34 19.47 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.903 -0.406 . . . . 122.08 109.903 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.34 62.77 16.74 Favored Pre-proline 0 C--O 1.268 2.056 0 N-CA-C 106.278 -1.749 . . . . 107.76 106.278 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.63 ' HD3' ' CD2' ' B' ' 45' ' ' HIS . 93.0 Cg_endo -64.61 149.87 89.13 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.317 3.344 . . . . 105.82 115.021 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . 1.021 HG23 ' HB2' ' B' ' 51' ' ' GLU . 0.5 OUTLIER -144.16 -158.67 0.9 Allowed 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.008 -0.996 . . . . 130.65 108.814 -179.751 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.524 ' N ' ' OG1' ' B' ' 48' ' ' THR . 4.3 mm-40 -77.13 -54.98 5.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.846 0.355 . . . . 168.44 111.773 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -95.64 14.96 21.26 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 115.369 -0.832 . . . . 144.23 110.459 -179.645 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 1.021 ' HB2' HG23 ' B' ' 48' ' ' THR . 1.8 mp0 -152.5 41.55 0.2 Allowed Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.559 1.318 . . . . 125.19 114.559 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 57.1 Cg_endo -52.92 -11.42 1.43 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 125.165 3.91 . . . . 124.48 116.575 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -116.75 12.06 14.75 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 124.455 1.097 . . . . 139.93 112.412 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' MET . . . . . 0.971 ' HG3' ' O ' ' B' 1032 ' ' HOH . 52.1 ttm -74.57 125.42 28.6 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 118.797 2.888 . . . . 135.79 118.797 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.7 178.59 4.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.297 -0.865 . . . . 102.1 112.139 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.59 ' O ' ' HA ' ' B' ' 43' ' ' PHE . 55.3 tt0 -162.26 153.28 17.7 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 118.307 -0.854 . . . . 95.42 110.632 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' H ' ' B' ' 61' ' ' PHE 0.316 0.3 OUTLIER -79.73 150.12 30.94 Favored 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 102.784 -3.043 . . . . 76.91 102.784 177.751 -137.735 156.37 99.782 95.986 2.184 113.132 -52.814 57.281 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' B' ' 12' ' ' PRO . 17.3 p90 -86.69 -29.62 22.31 Favored 'General case' 0 C--O 1.195 -1.78 0 N-CA-C 102.675 -3.083 . . . . 90.57 102.675 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.541 ' C ' ' CD2' ' B' ' 59' ' ' PHE . 0.8 OUTLIER -83.12 -57.37 3.3 Favored 'General case' 0 C--O 1.262 1.719 0 N-CA-C 121.539 3.903 . . . . 94.32 121.539 -177.929 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 61' ' ' PHE . 25.1 p -85.97 -27.0 25.15 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.486 -1.234 . . . . 89.78 111.472 -179.474 57.281 -52.814 99.782 113.132 2.184 95.986 156.37 -137.735 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.517 ' H ' ' HB3' ' B' ' 57' ' ' CYS . 72.5 m-85 78.97 6.79 2.16 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.843 2.535 . . . . 105.01 117.843 -179.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' B' ' 80' ' ' HIS . 5.8 tptt -68.49 135.86 52.29 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 115.297 -2.561 . . . . 134.32 108.331 179.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.684 ' O ' HD12 ' B' ' 64' ' ' LEU . 38.0 mt-10 -97.67 134.94 40.18 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.425 1.09 . . . . 106.36 111.23 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.684 HD12 ' O ' ' B' ' 63' ' ' GLU . 0.9 OUTLIER -134.29 130.1 36.55 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 120.801 -1.187 . . . . 95.01 113.971 -178.75 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.04 -178.88 3.58 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.741 1.617 . . . . 132.25 112.328 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.18 71.18 0.73 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 118.987 -1.578 . . . . 105.21 115.675 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TRP . . . . . 0.492 ' HE3' ' SG ' ' B' ' 33' ' ' CYS . 71.6 m95 -98.74 146.53 25.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.38 -1.711 . . . . 100.63 106.38 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD2' ' B' ' 71' ' ' ASP . 52.3 mt-10 -136.12 140.67 33.72 Favored Pre-proline 0 C--O 1.248 1.001 0 N-CA-C 107.997 -1.112 . . . . 149.85 107.997 176.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -30.65 -30.58 0.02 OUTLIER 'Trans proline' 0 C--O 1.254 1.324 1 C-N-CA 127.374 5.382 . . . . 117.83 116.56 -178.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' B' ' 68' ' ' GLU . 15.6 m-20 -98.96 -11.82 21.22 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 116.298 1.962 . . . . 135.85 116.298 -173.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 87.1 m-20 -54.54 123.37 12.92 Favored 'General case' 0 CA--C 1.58 2.105 0 O-C-N 126.863 2.602 . . . . 115.7 111.279 176.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.28 104.7 12.9 Favored Pre-proline 0 CA--C 1.557 1.218 0 N-CA-C 105.191 -2.152 . . . . 128.14 105.191 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.569 ' HB3' ' HG2' ' B' ' 38' ' ' MET . 3.0 Cg_exo -50.11 -41.99 47.54 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 N-CA-C 116.948 1.865 . . . . 104.32 116.948 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.06 -51.29 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.316 -0.865 . . . . 99.65 110.622 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 75' ' ' GLU . 4.6 mm-40 -57.35 -51.11 70.7 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.108 -0.951 . . . . 162.09 112.281 177.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 46.9 mm-40 -54.03 -34.64 60.52 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 118.753 -1.179 . . . . 123.93 111.267 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 87' ' ' LEU . 7.8 t-160 -71.15 -47.38 58.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 114.546 -1.206 . . . . 95.63 111.579 -177.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.93 -31.32 72.37 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.366 1.067 . . . . 117.83 111.825 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -104.42 42.85 1.15 Allowed 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 113.688 0.995 . . . . 153.58 113.688 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.534 ' O ' ' HD3' ' B' ' 62' ' ' LYS . 26.9 m-70 -167.41 -6.78 0.02 OUTLIER 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.435 -1.257 . . . . 117.19 108.926 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -166.24 104.01 0.64 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 104.368 -2.456 . . . . 117.86 104.368 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 46.9 t -98.43 -23.75 15.45 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.097 -1.445 . . . . 161.28 107.097 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.7 70.13 0.6 Allowed Glycine 0 C--O 1.25 1.15 0 CA-C-O 124.382 2.101 . . . . 137.21 111.686 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' B' ' 86' ' ' PHE . 1.2 t -138.07 105.11 5.42 Favored 'General case' 0 N--CA 1.409 -2.513 0 N-CA-C 105.702 -1.962 . . . . 105.2 105.702 -179.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.9 -34.56 9.15 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.912 -0.585 . . . . 107.11 112.516 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.42 ' HB3' ' SG ' ' B' ' 84' ' ' CYS . 38.7 t80 -49.37 -53.47 22.29 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.673 1.36 . . . . 98.39 114.673 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' B' ' 77' ' ' HIS . 18.5 mt -51.41 -32.4 26.26 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 112.688 0.625 . . . . 100.72 112.688 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' B' ' 90' ' ' LYS . 0.0 OUTLIER -80.47 -14.43 58.28 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.072 1.138 . . . . 90.74 114.072 178.355 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.21 103.82 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.245 0 CA-C-O 121.646 0.736 . . . . 91.16 110.345 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 88' ' ' SER . 71.6 mmtt -90.7 -29.36 17.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.032 -1.894 . . . . 137.64 114.515 -179.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -75.37 151.31 38.21 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 115.736 1.754 . . . . 121.4 115.736 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.449 ' HA ' ' OE1' ' B' ' 92' ' ' GLN . 5.0 mm-40 -69.77 154.08 42.47 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 105.936 -1.875 . . . . 132.49 105.936 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 96' ' ' LEU . 69.1 t80 -43.93 -64.64 0.63 Allowed 'General case' 0 C--O 1.259 1.587 0 CA-C-O 121.982 0.896 . . . . 105.57 111.371 -179.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . 0.864 ' O ' HG22 ' A' ' 97' ' ' THR . 50.1 mt-10 -57.13 -10.11 1.11 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 117.134 2.272 . . . . 130.58 117.134 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' B' ' 95' ' ' GLU . 5.9 tp10 -101.38 1.08 38.1 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 123.31 1.528 . . . . 122.0 108.098 -179.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.751 ' O ' HD23 ' A' ' 98' ' ' LEU . 17.4 mt -74.52 145.42 43.51 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 114.086 -1.415 . . . . 97.19 110.501 174.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' THR . . . . . 1.001 HG22 ' H ' ' B' ' 100' ' ' GLU . 0.7 OUTLIER -80.89 151.36 28.65 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 105.061 -2.2 . . . . 93.07 105.061 175.708 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -57.72 -38.39 75.2 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 108.236 -1.024 . . . . 84.69 108.236 177.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.531 ' H ' HG23 ' B' ' 97' ' ' THR . . . -62.74 -60.67 7.4 Favored Glycine 0 C--N 1.342 0.872 0 O-C-N 125.27 1.606 . . . . 79.84 110.022 178.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLU . . . . . 1.001 ' H ' HG22 ' B' ' 97' ' ' THR . 65.6 mt-10 -50.98 -50.9 57.35 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.233 -0.655 . . . . 99.71 109.233 179.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -52.12 -42.48 63.33 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 118.869 -1.132 . . . . 77.13 110.464 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 102' ' ' LEU . 0.0 OUTLIER -67.09 -36.47 82.05 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 123.184 1.469 . . . . 94.52 114.246 178.641 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.534 ' HG3' ' O4 ' ' B' ' 502' ' ' SO4 . 71.3 tttt -58.95 -52.08 67.28 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 106.922 -1.51 . . . . 116.71 106.922 174.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.72 -34.86 69.92 Favored 'General case' 0 CA--C 1.472 -2.043 0 C-N-CA 119.22 -0.992 . . . . 72.74 113.011 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.07 -26.75 56.8 Favored 'General case' 0 C--O 1.301 3.797 0 C-N-CA 116.747 -1.981 . . . . 132.49 109.334 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -43.21 68.12 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 116.248 -2.181 . . . . 135.43 105.863 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -65.09 -43.08 93.28 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.178 0.444 . . . . 95.89 110.251 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ARG . . . . . 0.791 ' HE ' ' HE1' ' B' ' 13' ' ' PHE . 28.1 ttp85 -55.25 -49.71 71.33 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 116.543 -2.063 . . . . 93.64 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.28 71.11 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 115.772 -2.371 . . . . 95.75 111.519 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -59.29 -66.52 0.5 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 106.53 -1.656 . . . . 128.43 106.53 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -42.5 -39.1 2.15 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.228 1.196 . . . . 94.1 114.228 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -63.72 -36.42 83.79 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.335 -1.746 . . . . 106.45 109.135 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.495 HD13 ' OE2' ' B' ' 116' ' ' GLU . 1.1 mm -65.27 -59.39 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.197 -1.409 . . . . 88.7 107.197 179.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.409 ' N ' HG22 ' B' ' 113' ' ' ILE . . . -40.45 -60.23 1.15 Allowed 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.884 -1.524 . . . . 92.76 106.884 176.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.7 -36.64 67.39 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 117.675 2.472 . . . . 107.71 117.675 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.562 ' HA ' ' ND2' ' B' ' 119' ' ' ASN . 2.7 pt-20 -79.69 -24.49 41.71 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.316 -2.154 . . . . 147.04 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 91.8 m -66.29 -49.02 68.51 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 105.986 -1.857 . . . . 108.15 105.986 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -39.56 75.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.566 -0.743 . . . . 112.94 110.293 179.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' B' ' 116' ' ' GLU . 43.5 m-20 -61.6 -49.09 78.02 Favored 'General case' 0 CA--C 1.468 -2.185 0 C-N-CA 118.256 -1.378 . . . . 118.4 112.106 178.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -57.35 -37.58 72.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 116.689 -1.624 . . . . 100.51 108.621 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -61.75 -52.88 62.43 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 120.708 1.595 . . . . 134.54 109.887 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.16 -47.75 74.71 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.712 -0.676 . . . . 102.34 110.091 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.47 -40.11 93.34 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 118.74 -1.184 . . . . 150.58 112.301 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.4 -54.33 34.49 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 118.097 -0.954 . . . . 102.36 108.695 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.15 -38.34 68.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 120.007 1.276 . . . . 157.45 113.948 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -48.27 78.04 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 121.542 0.687 . . . . 146.37 110.396 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -65.62 -42.35 91.64 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.343 -0.844 . . . . 84.42 110.226 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.02 -52.38 43.56 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.725 -1.213 . . . . 91.61 107.725 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -58.15 -44.77 88.06 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.219 0.95 . . . . 111.1 112.647 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -62.65 -41.81 99.26 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 117.531 -1.667 . . . . 119.36 108.928 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.11 -53.38 34.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.3 -0.875 . . . . 77.19 112.181 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' B' 1043 ' ' HOH . 9.7 ttm180 -49.16 -54.14 17.73 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.319 1.229 . . . . 134.31 114.319 177.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ARG . . . . . 0.545 ' HG2' ' N ' ' B' ' 134' ' ' ALA . 1.6 ttt180 -52.44 -53.23 48.08 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-N 113.55 -1.659 . . . . 166.68 109.48 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' ALA . . . . . 0.545 ' N ' ' HG2' ' B' ' 133' ' ' ARG . . . -60.19 -31.6 70.29 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.257 1.206 . . . . 83.63 114.257 -175.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 132' ' ' ARG . 0.1 OUTLIER -79.5 -41.99 22.7 Favored 'Isoleucine or valine' 0 C--O 1.26 1.646 0 O-C-N 124.069 0.856 . . . . 104.59 109.51 -178.371 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' B' ' 135' ' ' ILE . 26.9 mt-10 -51.9 -63.45 1.13 Allowed 'General case' 0 C--O 1.24 0.555 0 N-CA-C 105.644 -1.984 . . . . 117.79 105.644 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.422 HE21 ' HG3' ' B' ' 133' ' ' ARG . 77.5 mt-30 -42.81 -23.26 0.04 OUTLIER 'General case' 0 C--O 1.26 1.655 0 N-CA-C 117.218 2.303 . . . . 108.75 117.218 176.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 tp -79.73 -31.55 41.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.211 -1.403 . . . . 94.6 107.211 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.79 67.89 9.96 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 106.014 -1.847 . . . . 112.51 106.014 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.718 0 C-N-CA 125.723 1.609 . . . . 134.41 109.001 -176.318 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' SO4 . . . . . 0.574 ' O2 ' ' NZ ' ' A' ' 103' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 342' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' SO4 . . . . . 0.534 ' O4 ' ' HG3' ' B' ' 103' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1000 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . 0.873 ' O ' ' HG2' ' A' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . 0.621 ' O ' ' HG3' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . 0.547 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . 0.796 ' O ' ' HE2' ' A' ' 121' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . 0.82 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' HOH . . . . . 0.504 ' O ' HD11 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' HOH . . . . . 0.676 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' HOH . . . . . 0.728 ' O ' ' CB ' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' HOH . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' HOH . . . . . 0.679 ' O ' HG12 ' A' ' 131' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' HOH . . . . . 0.628 ' O ' ' OE2' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1040 ' ' HOH . . . . . 0.436 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1060 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1064 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1072 ' ' HOH . . . . . 0.545 ' O ' ' HD2' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1084 ' ' HOH . . . . . 0.569 ' O ' HD13 ' A' ' 113' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1032 ' ' HOH . . . . . 0.971 ' O ' ' HG3' ' B' ' 54' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1043 ' ' HOH . . . . . 0.6 ' O ' ' NH2' ' B' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1059 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_