data_3in2_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 3in2 _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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.54 0.686 . . . . 59.37 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.08 153.07 22.36 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 116.469 -2.092 . . . . 52.56 108.743 172.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m 20.53 49.74 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 130.035 3.334 . . . . 39.38 114.364 178.599 -58.531 -59.529 -103.469 103.533 2.032 105.203 -38.497 -88.952 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.06 154.82 11.24 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 130.662 3.585 . . . . 30.91 109.304 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 p -142.52 125.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 64.28 109.375 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.82 88.12 6.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.71 0.767 . . . . 43.97 112.138 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.19 174.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.208 -0.932 . . . . 54.39 112.191 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -166.98 162.45 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.962 1.705 . . . . 53.55 110.697 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.71 150.54 22.82 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 126.264 1.888 . . . . 76.07 109.647 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 12' ' ' GLN . 7.1 p30 -143.61 165.17 28.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.154 1.977 . . . . 64.57 113.515 -175.841 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -40.96 -33.5 0.32 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.227 2.611 . . . . 63.76 113.238 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -84.31 35.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.9 0.88 . . . . 53.65 110.652 179.27 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 31.52 43.88 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 127.882 2.473 . . . . 51.28 113.423 176.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -132.41 139.61 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 66.14 112.237 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -84.26 141.67 30.8 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.342 -0.845 . . . . 62.12 110.184 175.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 312' ' ' HOH . 3.1 p-10 -78.33 -6.11 54.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.529 -1.268 . . . . 46.38 111.552 -177.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 146.58 27.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.673 0.749 . . . . 47.41 109.348 172.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.72 48.09 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.038 -0.983 . . . . 35.05 110.241 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 172.27 151.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.935 1.397 . . . . 42.69 110.501 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 124' ' ' THR . 6.3 mt -146.16 119.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.671 1.232 . . . . 52.71 112.428 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 126.39 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.698 -0.801 . . . . 38.61 110.12 174.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' THR . 2.2 t -104.22 147.81 9.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 37.03 110.805 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' CYS . 26.8 t0 -86.58 122.94 31.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 122.223 1.011 . . . . 43.27 113.538 -175.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -54.07 -14.17 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.603 1.561 . . . . 54.01 114.541 -178.865 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -8.6 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.567 -0.708 . . . . 55.86 109.885 172.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' ASP . 2.1 m -52.44 121.58 7.26 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.062 -1.088 . . . . 105.16 108.062 169.25 -88.952 -38.497 -103.469 105.203 2.032 103.533 -59.529 -58.531 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -107.97 21.9 16.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 116.772 -1.971 . . . . 58.05 110.505 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 166.38 104.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 125.107 1.504 . . . . 74.57 110.684 177.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -83.04 166.97 18.32 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.578 0.751 . . . . 62.91 110.867 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -144.33 140.46 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.295 0.569 . . . . 53.51 111.565 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.13 102.12 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.112 -1.035 . . . . 48.8 109.919 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -87.47 96.9 10.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 125.485 1.741 . . . . 55.6 111.3 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 93' ' ' ASP . 14.7 tp -65.55 144.48 56.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.139 -1.391 . . . . 57.34 110.432 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -143.51 117.81 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.545 0.688 . . . . 54.47 110.915 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -99.24 106.99 42.22 Favored Pre-proline 0 C--N 1.332 -0.188 0 C-N-CA 119.995 -0.682 . . . . 59.44 111.187 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -100.06 98.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 123.038 2.492 . . . . 57.9 110.006 169.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.88 47.76 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.022 -1.085 . . . . 47.44 113.194 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 366' ' ' HOH . 8.9 m120 -108.07 -4.41 17.78 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 113.018 0.747 . . . . 47.25 113.018 -177.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.65 142.55 29.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 117.697 -1.601 . . . . 50.96 110.155 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.86 175.91 2.73 Favored 'Trans proline' 0 C--N 1.327 -0.576 0 O-C-N 124.284 1.676 . . . . 46.34 111.579 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 332' ' ' HOH . 0.0 OUTLIER -81.91 -3.37 54.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.616 -0.834 . . . . 53.81 109.314 175.305 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.65 -12.06 26.19 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 117.605 -1.638 . . . . 59.09 112.409 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.67 3.55 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 C-N-CA 118.854 -1.138 . . . . 53.05 111.942 179.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.2 tpp -170.24 56.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.129 0.966 . . . . 55.68 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.86 160.97 32.93 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 114.326 -1.306 . . . . 46.69 110.642 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -148.72 156.18 42.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.764 1.269 . . . . 35.17 110.511 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.0 p -165.77 149.67 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.561 -0.712 . . . . 52.35 110.054 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -98.09 110.04 22.69 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 125.165 1.541 . . . . 78.07 111.555 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.56 121.31 54.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 125.944 1.698 . . . . 43.57 111.293 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tp -100.67 111.38 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.416 0.627 . . . . 36.86 110.814 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.15 137.41 1.95 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.026 -0.988 . . . . 56.32 111.918 -177.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 174.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 56.71 112.301 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.33 -10.63 56.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.189 0.519 . . . . 53.58 110.468 175.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 55' ' ' ASP . . . -72.12 -9.9 59.04 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 119.87 -0.732 . . . . 68.63 110.737 179.779 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 88.6 m-20 -143.23 5.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.428 0.529 . . . . 47.61 112.428 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.85 -52.51 64.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 118.239 0.472 . . . . 49.0 111.946 -177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -57.25 9.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.816 0.817 . . . . 30.09 111.708 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.4 94.68 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.681 -0.691 . . . . 46.62 112.994 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.44 -30.24 48.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 C-N-CA 118.824 -1.15 . . . . 43.15 108.622 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' GLY . 55.8 t -68.77 -72.9 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 114.764 -1.107 . . . . 46.58 110.042 174.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -49.82 -32.79 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.727 0.775 . . . . 36.62 112.417 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 74' ' ' LYS . 1.2 m-20 -92.05 -2.9 56.41 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.998 -0.681 . . . . 57.24 109.695 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -86.89 -48.35 4.45 Favored Glycine 0 N--CA 1.449 -0.459 0 O-C-N 125.113 1.508 . . . . 42.03 111.642 177.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -2.28 15.97 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.855 -1.379 . . . . 57.15 112.627 177.988 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.07 -32.52 21.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.016 2.126 . . . . 80.91 111.466 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.78 76.03 7.69 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.457 -0.897 . . . . 67.31 112.041 -177.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.39 -150.76 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 125.502 1.525 . . . . 52.84 114.228 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.64 -21.98 6.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.426 -1.324 . . . . 35.04 107.426 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.68 -30.08 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.661 -1.609 . . . . 56.28 110.14 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 27.1 0.78 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.542 -1.208 . . . . 52.04 110.468 174.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 46.11 32.86 1.53 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.115 2.166 . . . . 52.58 111.802 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 45.96 52.08 10.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.958 1.411 . . . . 54.41 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.09 131.46 22.17 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 129.976 3.31 . . . . 47.63 110.627 -175.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 5.0 tttp -70.99 125.02 91.98 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 118.852 -1.139 . . . . 54.33 109.036 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -59.85 122.75 11.93 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.101 1.201 . . . . 38.39 112.061 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.95 39.14 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 127.316 2.246 . . . . 64.6 111.98 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 1.3 t0 -64.03 121.77 14.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.075 0.55 . . . . 61.66 110.715 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -19.18 60.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 63.29 109.129 174.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -81.01 29.13 0.34 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.726 -1.579 . . . . 53.55 111.444 178.54 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.5 t -154.55 104.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 C-N-CA 128.469 2.708 . . . . 54.35 108.492 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 119.458 -0.897 . . . . 37.25 109.816 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.32 150.58 29.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 43.88 111.276 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -157.06 161.26 39.48 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 123.086 0.554 . . . . 45.96 109.747 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 p -110.31 163.75 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.573 1.078 . . . . 48.24 110.375 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 311' ' ' HOH . 0.9 OUTLIER -68.1 164.0 21.24 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.679 -1.209 . . . . 61.6 108.037 174.989 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.79 89.17 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.542 1.151 . . . . 60.43 109.825 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 pt -77.48 -164.78 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 116.03 -2.268 . . . . 39.48 107.793 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -168.34 -168.11 29.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.481 -1.733 . . . . 47.21 109.474 178.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.6 p -28.97 112.89 0.07 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 127.926 2.49 . . . . 45.98 113.337 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 1.58 16.81 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.707 -0.679 . . . . 74.36 114.222 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' GLY . 25.9 mt-10 -81.79 172.16 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.741 0.77 . . . . 76.62 110.226 179.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 357' ' ' HOH . 1.4 tttt -158.54 110.29 2.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.312 0.577 . . . . 65.92 111.35 -178.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' LEU . 9.4 t0 -126.87 177.74 6.4 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.091 -0.644 . . . . 64.82 110.99 176.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -157.98 -162.87 1.21 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.866 0.691 . . . . 38.17 112.866 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 174.99 144.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.2 1.4 . . . . 37.67 110.984 -175.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -125.45 123.43 39.23 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.294 1.038 . . . . 49.38 109.915 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -111.96 168.13 9.83 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 115.789 -2.365 . . . . 46.81 112.427 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 121.6 26.32 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 113.224 -1.807 . . . . 67.7 109.004 175.562 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.7 t -81.09 15.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.754 -0.378 . . . . 72.82 111.573 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -100.53 -14.17 18.34 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 127.763 2.425 . . . . 48.11 109.247 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -24.25 38.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.505 2.322 . . . . 52.39 109.502 172.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 103.23 15.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.426 -1.261 . . . . 56.38 110.781 -179.366 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 133.28 33.88 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.382 1.087 . . . . 54.69 111.467 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -65.22 161.44 19.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.13 -0.941 . . . . 54.29 110.862 175.83 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 -44.28 1.37 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.984 -0.553 . . . . 52.74 113.671 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.14 123.34 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.159 0.48 . . . . 48.69 111.441 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 165.0 1.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.172 -1.011 . . . . 72.23 109.25 179.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -155.11 141.07 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.804 -0.759 . . . . 59.08 111.021 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.43 138.49 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.332 0.493 . . . . 50.92 112.332 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -107.34 154.35 21.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.603 -0.888 . . . . 70.54 108.603 171.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.4 p90 -169.61 -174.4 1.88 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 117.558 -1.657 . . . . 47.71 111.899 -177.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.9 t -115.78 138.22 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.323 1.449 . . . . 43.58 109.196 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.0 p -99.57 -17.88 17.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.13 0.894 . . . . 75.29 113.212 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 119.39 11.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 118.841 -0.599 . . . . 57.42 110.796 178.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -25.23 89.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.325 -0.693 1 C-N-CA 127.433 5.422 . . . . 39.28 114.98 -175.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 94.55 31.01 8.12 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 125.743 1.639 . . . . 64.66 114.275 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -106.99 -49.08 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.862 0.69 . . . . 40.82 112.862 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -47.76 -35.24 9.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.619 1.2 . . . . 44.91 112.155 175.734 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.525 -1.216 . . . . 42.11 110.516 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -52.86 5.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.719 -1.128 . . . . 71.81 113.916 -175.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 mp -86.59 114.02 22.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.443 0.534 . . . . 56.14 112.443 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -179.51 1.58 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.961 0.356 . . . . 51.77 111.961 178.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.49 147.53 5.72 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 115.276 0.87 . . . . 37.17 115.276 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.6 125.64 29.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.664 1.985 . . . . 61.07 115.678 -174.89 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.33 147.46 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.426 1.49 . . . . 58.08 111.15 172.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' VAL . 6.4 m -152.14 162.57 40.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.62 0.6 . . . . 46.21 112.62 -177.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.72 58.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.522 1.129 . . . . 52.73 112.375 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.685 0.755 . . . . 59.55 111.078 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . 0.469 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . 0.432 ' O ' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . 0.435 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . 0.44 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' HOH . . . . . 0.442 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.54 0.686 . . . . 59.37 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 365' ' ' HOH . 0.0 OUTLIER -86.08 153.07 22.36 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 116.469 -2.092 . . . . 52.56 108.743 172.498 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m 20.53 49.74 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 130.035 3.334 . . . . 39.38 114.364 178.599 -58.531 -59.529 -103.469 103.533 2.032 105.203 -38.497 -88.952 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.06 154.82 11.24 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 130.662 3.585 . . . . 30.91 109.304 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 p -142.52 125.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 64.28 109.375 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.82 88.12 6.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.71 0.767 . . . . 43.97 112.138 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 1.7 tp -82.19 174.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.208 -0.932 . . . . 54.39 112.191 -179.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . 0.701 ' HB2' ' ND2' ' A' ' 16' ' ' ASN . 31.9 mt-30 -166.98 162.45 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.962 1.705 . . . . 53.55 110.697 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . 0.626 ' O ' ' HD2' ' A' ' 36' ' ' PRO . . . -146.71 150.54 22.82 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 126.264 1.888 . . . . 76.07 109.647 175.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -143.61 165.17 28.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.154 1.977 . . . . 64.57 113.515 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 39' ' ' LEU . 22.7 m-20 -40.96 -33.5 0.32 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.227 2.611 . . . . 63.76 113.238 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -84.31 35.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.9 0.88 . . . . 53.65 110.652 179.27 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . 0.401 ' HG2' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER 31.52 43.88 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 127.882 2.473 . . . . 51.28 113.423 176.197 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -132.41 139.61 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 66.14 112.237 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 121' ' ' LEU . 4.4 m-30 -84.26 141.67 30.8 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.342 -0.845 . . . . 62.12 110.184 175.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . 0.701 ' ND2' ' HB2' ' A' ' 8' ' ' GLN . 3.1 p-10 -78.33 -6.11 54.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.529 -1.268 . . . . 46.38 111.552 -177.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 146.58 27.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.673 0.749 . . . . 47.41 109.348 172.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.2 p-10 -124.72 48.09 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.038 -0.983 . . . . 35.05 110.241 -178.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 124' ' ' THR . . . 172.27 151.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.935 1.397 . . . . 42.69 110.501 176.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.692 ' HB ' HD12 ' A' ' 125' ' ' LEU . 6.3 mt -146.16 119.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.671 1.232 . . . . 52.71 112.428 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -103.15 126.39 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.698 -0.801 . . . . 38.61 110.12 174.695 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 29' ' ' PHE . 2.2 t -104.22 147.81 9.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 37.03 110.805 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 26.8 t0 -86.58 122.94 31.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 122.223 1.011 . . . . 43.27 113.538 -175.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.799 ' HG3' HD22 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -54.07 -14.17 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.603 1.561 . . . . 54.01 114.541 -178.865 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -8.6 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.567 -0.708 . . . . 55.86 109.885 172.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 2.1 m -52.44 121.58 7.26 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.062 -1.088 . . . . 105.16 108.062 169.25 -88.952 -38.497 -103.469 105.203 2.032 103.533 -59.529 -58.531 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 3.3 mtpp -107.97 21.9 16.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 116.772 -1.971 . . . . 58.05 110.505 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 96' ' ' THR . 0.1 OUTLIER 166.38 104.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 125.107 1.504 . . . . 74.57 110.684 177.655 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 96' ' ' THR . 6.7 t80 -83.04 166.97 18.32 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.578 0.751 . . . . 62.91 110.867 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -144.33 140.46 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.295 0.569 . . . . 53.51 111.565 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.13 102.12 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.112 -1.035 . . . . 48.8 109.919 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -87.47 96.9 10.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 125.485 1.741 . . . . 55.6 111.3 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 87' ' ' ILE . 14.7 tp -65.55 144.48 56.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.139 -1.391 . . . . 57.34 110.432 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.456 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 4.0 t -143.51 117.81 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.545 0.688 . . . . 54.47 110.915 178.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -99.24 106.99 42.22 Favored Pre-proline 0 C--N 1.332 -0.188 0 C-N-CA 119.995 -0.682 . . . . 59.44 111.187 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 44.3 Cg_endo -100.06 98.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 123.038 2.492 . . . . 57.9 110.006 169.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.88 47.76 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.022 -1.085 . . . . 47.44 113.194 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.07 -4.41 17.78 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 113.018 0.747 . . . . 47.25 113.018 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 1.1 mt -89.65 142.55 29.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 117.697 -1.601 . . . . 50.96 110.155 -178.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . 0.903 ' HG2' HG23 ' A' ' 43' ' ' VAL . 25.9 Cg_endo -63.86 175.91 2.73 Favored 'Trans proline' 0 C--N 1.327 -0.576 0 O-C-N 124.284 1.676 . . . . 46.34 111.579 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' O ' ' HE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -81.91 -3.37 54.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.616 -0.834 . . . . 53.81 109.314 175.305 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 43' ' ' VAL . 2.9 p-10 -95.65 -12.06 26.19 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 117.605 -1.638 . . . . 59.09 112.409 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.903 HG23 ' HG2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -131.67 3.55 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 C-N-CA 118.854 -1.138 . . . . 53.05 111.942 179.857 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . 48.2 tpp -170.24 56.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.129 0.966 . . . . 55.68 109.925 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.86 160.97 32.93 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 114.326 -1.306 . . . . 46.69 110.642 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . 0.65 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 4.1 m-70 -148.72 156.18 42.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.764 1.269 . . . . 35.17 110.511 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.0 p -165.77 149.67 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.561 -0.712 . . . . 52.35 110.054 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' O ' ' HA ' ' A' ' 83' ' ' HIS . 7.1 t90 -98.09 110.04 22.69 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 125.165 1.541 . . . . 78.07 111.555 -175.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.731 ' O ' ' HA ' ' A' ' 110' ' ' PHE . 2.1 t -103.56 121.31 54.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 125.944 1.698 . . . . 43.57 111.293 -179.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HG ' HD11 ' A' ' 81' ' ' ILE . 5.5 tp -100.67 111.38 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.416 0.627 . . . . 36.86 110.814 175.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -169.15 137.41 1.95 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.026 -0.988 . . . . 56.32 111.918 -177.612 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 174.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 56.71 112.301 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.33 -10.63 56.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.189 0.519 . . . . 53.58 110.468 175.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 55' ' ' ASP . . . -72.12 -9.9 59.04 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 119.87 -0.732 . . . . 68.63 110.737 179.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 88.6 m-20 -143.23 5.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.428 0.529 . . . . 47.61 112.428 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' MET . . . . . 0.478 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 2.5 ttt -56.85 -52.51 64.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 118.239 0.472 . . . . 49.0 111.946 -177.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.37 -57.25 9.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.816 0.817 . . . . 30.09 111.708 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -57.89 -42.4 94.68 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.681 -0.691 . . . . 46.62 112.994 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG22 ' OD2' ' A' ' 77' ' ' ASP . 2.4 t -62.44 -30.24 48.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 C-N-CA 118.824 -1.15 . . . . 43.15 108.622 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 57' ' ' GLN . 55.8 t -68.77 -72.9 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 114.764 -1.107 . . . . 46.58 110.042 174.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -49.82 -32.79 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.727 0.775 . . . . 36.62 112.417 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.2 m-20 -92.05 -2.9 56.41 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.998 -0.681 . . . . 57.24 109.695 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.89 -48.35 4.45 Favored Glycine 0 N--CA 1.449 -0.459 0 O-C-N 125.113 1.508 . . . . 42.03 111.642 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . 0.812 ' HE2' ' HA ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -71.4 -2.28 15.97 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.855 -1.379 . . . . 57.15 112.627 177.988 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.07 -32.52 21.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.016 2.126 . . . . 80.91 111.466 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . 0.698 ' OG ' ' HD3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -80.78 76.03 7.69 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.457 -0.897 . . . . 67.31 112.041 -177.104 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.39 -150.76 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 125.502 1.525 . . . . 52.84 114.228 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD13 ' CE2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -120.64 -21.98 6.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.426 -1.324 . . . . 35.04 107.426 173.868 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 305' ' ' HOH . 2.5 p-10 -77.68 -30.08 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.661 -1.609 . . . . 56.28 110.14 176.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.91 27.1 0.78 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.542 -1.208 . . . . 52.04 110.468 174.647 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 46.11 32.86 1.53 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.115 2.166 . . . . 52.58 111.802 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CE2' HD13 ' A' ' 68' ' ' LEU . 13.9 m-85 45.96 52.08 10.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.958 1.411 . . . . 54.41 110.545 -179.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 313' ' ' HOH . 0.2 OUTLIER -143.09 131.46 22.17 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 129.976 3.31 . . . . 47.63 110.627 -175.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 5.0 tttp -70.99 125.02 91.98 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 118.852 -1.139 . . . . 54.33 109.036 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . 0.698 ' HD3' ' OG ' ' A' ' 66' ' ' SER . 45.5 Cg_exo -59.85 122.75 11.93 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.101 1.201 . . . . 38.39 112.061 -175.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.95 39.14 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 127.316 2.246 . . . . 64.6 111.98 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.53 ' OD2' HG22 ' A' ' 59' ' ' VAL . 1.3 t0 -64.03 121.77 14.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.075 0.55 . . . . 61.66 110.715 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -19.18 60.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 63.29 109.129 174.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 51' ' ' SER . 0.9 OUTLIER -81.01 29.13 0.34 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.726 -1.579 . . . . 53.55 111.444 178.54 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 83' ' ' HIS . 93.5 t -154.55 104.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 C-N-CA 128.469 2.708 . . . . 54.35 108.492 176.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . 0.575 HD11 ' HG ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -71.81 -31.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 119.458 -0.897 . . . . 37.25 109.816 177.573 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.32 150.58 29.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 43.88 111.276 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' TRP . 2.3 p80 -157.06 161.26 39.48 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 123.086 0.554 . . . . 45.96 109.747 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 48' ' ' TRP . 9.3 p -110.31 163.75 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.573 1.078 . . . . 48.24 110.375 177.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' HB2' ' OD2' ' A' ' 93' ' ' ASP . 0.9 OUTLIER -68.1 164.0 21.24 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.679 -1.209 . . . . 61.6 108.037 174.989 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' CG ' ' A' ' 41' ' ' LYS . 1.4 tp -81.79 89.17 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.542 1.151 . . . . 60.43 109.825 176.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' H ' ' A' ' 93' ' ' ASP . 3.4 pt -77.48 -164.78 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 116.03 -2.268 . . . . 39.48 107.793 177.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' GLU . . . -168.34 -168.11 29.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.481 -1.733 . . . . 47.21 109.474 178.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . 0.656 ' HB3' ' O ' ' A' ' 39' ' ' LEU . 60.6 p -28.97 112.89 0.07 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 127.926 2.49 . . . . 45.98 113.337 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 1.58 16.81 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.707 -0.679 . . . . 74.36 114.222 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 25.9 mt-10 -81.79 172.16 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.741 0.77 . . . . 76.62 110.226 179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -158.54 110.29 2.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.312 0.577 . . . . 65.92 111.35 -178.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 87' ' ' ILE . 9.4 t0 -126.87 177.74 6.4 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.091 -0.644 . . . . 64.82 110.99 176.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -157.98 -162.87 1.21 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.866 0.691 . . . . 38.17 112.866 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 174.99 144.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.2 1.4 . . . . 37.67 110.984 -175.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' PHE . 2.5 m -125.45 123.43 39.23 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.294 1.038 . . . . 49.38 109.915 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -111.96 168.13 9.83 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 115.789 -2.365 . . . . 46.81 112.427 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 121.6 26.32 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 113.224 -1.807 . . . . 67.7 109.004 175.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 99' ' ' VAL . 10.7 t -81.09 15.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.754 -0.378 . . . . 72.82 111.573 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -100.53 -14.17 18.34 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 127.763 2.425 . . . . 48.11 109.247 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -80.72 -24.25 38.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.505 2.322 . . . . 52.39 109.502 172.796 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -88.42 103.23 15.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.426 -1.261 . . . . 56.38 110.781 -179.366 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 133.28 33.88 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.382 1.087 . . . . 54.69 111.467 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 340' ' ' HOH . 0.1 OUTLIER -65.22 161.44 19.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.13 -0.941 . . . . 54.29 110.862 175.83 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 -44.28 1.37 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.984 -0.553 . . . . 52.74 113.671 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.14 123.34 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.159 0.48 . . . . 48.69 111.441 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -57.92 165.0 1.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.172 -1.011 . . . . 72.23 109.25 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -155.11 141.07 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.804 -0.759 . . . . 59.08 111.021 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' MET . . . . . 0.751 ' HE1' ' HG3' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -135.43 138.49 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.332 0.493 . . . . 50.92 112.332 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 110' ' ' PHE . . . . . 0.731 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 44.3 p90 -107.34 154.35 21.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.603 -0.888 . . . . 70.54 108.603 171.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.4 p90 -169.61 -174.4 1.88 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 117.558 -1.657 . . . . 47.71 111.899 -177.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 46' ' ' HIS . 53.9 t -115.78 138.22 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.323 1.449 . . . . 43.58 109.196 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 73' ' ' LEU . 15.0 p -99.57 -17.88 17.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.13 0.894 . . . . 75.29 113.212 -171.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PHE . . . . . 0.579 ' HE2' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -50.96 119.39 11.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 118.841 -0.599 . . . . 57.42 110.796 178.339 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 115' ' ' PRO . . . . . 0.812 ' HA ' ' HE2' ' A' ' 64' ' ' MET . 75.5 Cg_exo -25.23 89.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.325 -0.693 1 C-N-CA 127.433 5.422 . . . . 39.28 114.98 -175.568 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 94.55 31.01 8.12 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 125.743 1.639 . . . . 64.66 114.275 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 114' ' ' PHE . 5.1 m-70 -106.99 -49.08 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.862 0.69 . . . . 40.82 112.862 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -47.76 -35.24 9.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.619 1.2 . . . . 44.91 112.155 175.734 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 353' ' ' HOH . . . -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.525 -1.216 . . . . 42.11 110.516 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -87.28 -52.86 5.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.719 -1.128 . . . . 71.81 113.916 -175.89 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 121' ' ' LEU . 1.8 mp -86.59 114.02 22.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.443 0.534 . . . . 56.14 112.443 -175.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . 0.751 ' HG3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -174.42 -179.51 1.58 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.961 0.356 . . . . 51.77 111.961 178.446 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.49 147.53 5.72 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 115.276 0.87 . . . . 37.17 115.276 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -74.6 125.64 29.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.664 1.985 . . . . 61.07 115.678 -174.89 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . 0.692 HD12 ' HB ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -97.33 147.46 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.426 1.49 . . . . 58.08 111.15 172.332 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . 0.456 ' HB ' HG23 ' A' ' 21' ' ' THR . 6.4 m -152.14 162.57 40.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.62 0.6 . . . . 46.21 112.62 -177.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -116.72 58.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.522 1.129 . . . . 52.73 112.375 -178.759 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.685 0.755 . . . . 59.55 111.078 -179.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 69' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . 0.454 ' O ' ' HA ' ' A' ' 84' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . 0.469 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . 0.578 ' O ' HD12 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . 0.496 ' O ' ' HA ' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . 0.523 ' O ' ' HB3' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . 0.439 ' O ' ' HA ' ' A' ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . 0.45 ' O ' ' HA ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.54 0.686 . . . . 59.369999999999997 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 365' ' ' HOH . 0.0 OUTLIER -86.08 153.07 22.36 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 116.469 -2.092 . . . . 52.560000000000002 108.743 172.498 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m 20.53 49.74 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 130.035 3.334 . . . . 39.380000000000003 114.364 178.599 -58.531 -59.529 -103.469 103.533 2.032 105.203 -38.497 -88.952 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.06 154.82 11.24 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 130.662 3.585 . . . . 30.91 109.304 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 p -142.52 125.41 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 64.280000000000001 109.375 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.82 88.12 6.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.71 0.767 . . . . 43.969999999999999 112.138 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 1.7 tp -82.19 174.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.208 -0.932 . . . . 54.390000000000001 112.191 -179.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.701 ' HB2' ' ND2' ' A' ' 16' ' ' ASN . 7.6 mt-30 -166.98 162.45 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.962 1.705 . . . . 53.549999999999997 110.697 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.626 ' O ' ' HD2' ' A' ' 36' ' ' PRO . . . -146.71 150.54 22.82 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 126.264 1.888 . . . . 76.069999999999993 109.647 175.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -143.61 165.17 28.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.154 1.977 . . . . 64.569999999999993 113.515 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 39' ' ' LEU . 22.7 m-20 -40.96 -33.5 0.32 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.227 2.611 . . . . 63.759999999999998 113.238 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -84.31 35.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.9 0.88 . . . . 53.649999999999999 110.652 179.27 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . 0.401 ' HG2' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER 31.52 43.88 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 127.882 2.473 . . . . 51.280000000000001 113.423 176.197 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -132.41 139.61 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 66.140000000000001 112.237 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 121' ' ' LEU . 4.4 m-30 -84.26 141.67 30.8 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.342 -0.845 . . . . 62.119999999999997 110.184 175.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.701 ' ND2' ' HB2' ' A' ' 8' ' ' GLN . 3.1 p-10 -78.33 -6.11 54.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.529 -1.268 . . . . 46.380000000000003 111.552 -177.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 146.58 27.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.673 0.749 . . . . 47.409999999999997 109.348 172.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 7.5 p30 -124.72 48.09 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.038 -0.983 . . . . 35.049999999999997 110.241 -178.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 124' ' ' THR . . . 172.27 151.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.935 1.397 . . . . 42.689999999999998 110.501 176.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.692 ' HB ' HD12 ' A' ' 125' ' ' LEU . 6.3 mt -146.16 119.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.671 1.232 . . . . 52.710000000000001 112.428 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -103.15 126.39 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.698 -0.801 . . . . 38.609999999999999 110.12 174.695 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 29' ' ' PHE . 2.2 t -104.22 147.81 9.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 37.030000000000001 110.805 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 26.8 t0 -86.58 122.94 31.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 122.223 1.011 . . . . 43.270000000000003 113.538 -175.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.799 ' HG3' HD22 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -54.07 -14.17 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.603 1.561 . . . . 54.009999999999998 114.541 -178.865 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.17 -8.6 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.567 -0.708 . . . . 55.859999999999999 109.885 172.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 2.1 m -52.44 121.58 7.26 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.062 -1.088 . . . . 105.16 108.062 169.25 -88.952 -38.497 -103.469 105.203 2.032 103.533 -59.529 -58.531 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 3.3 mtpp -107.97 21.9 16.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 116.772 -1.971 . . . . 58.049999999999997 110.505 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 96' ' ' THR . 0.1 OUTLIER 166.38 104.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 125.107 1.504 . . . . 74.569999999999993 110.684 177.655 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 96' ' ' THR . 6.7 t80 -83.04 166.97 18.32 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.578 0.751 . . . . 62.909999999999997 110.867 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -144.33 140.46 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.295 0.569 . . . . 53.509999999999998 111.565 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.13 102.12 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.112 -1.035 . . . . 48.799999999999997 109.919 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -87.47 96.9 10.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 125.485 1.741 . . . . 55.600000000000001 111.3 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 87' ' ' ILE . 14.7 tp -65.55 144.48 56.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.139 -1.391 . . . . 57.340000000000003 110.432 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.456 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 4.0 t -143.51 117.81 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.545 0.688 . . . . 54.469999999999999 110.915 178.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -99.24 106.99 42.22 Favored Pre-proline 0 C--N 1.332 -0.188 0 C-N-CA 119.995 -0.682 . . . . 59.439999999999998 111.187 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 44.3 Cg_endo -100.06 98.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 123.038 2.492 . . . . 57.899999999999999 110.006 169.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.88 47.76 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.022 -1.085 . . . . 47.439999999999998 113.194 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 366' ' ' HOH . 8.9 m120 -108.07 -4.41 17.78 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 113.018 0.747 . . . . 47.25 113.018 -177.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 1.1 mt -89.65 142.55 29.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 117.697 -1.601 . . . . 50.960000000000001 110.155 -178.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.903 ' HG2' HG23 ' A' ' 43' ' ' VAL . 25.9 Cg_endo -63.86 175.91 2.73 Favored 'Trans proline' 0 C--N 1.327 -0.576 0 O-C-N 124.284 1.676 . . . . 46.340000000000003 111.579 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' O ' ' HE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -81.91 -3.37 54.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.616 -0.834 . . . . 53.810000000000002 109.314 175.305 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 43' ' ' VAL . 2.9 p-10 -95.65 -12.06 26.19 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 117.605 -1.638 . . . . 59.090000000000003 112.409 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.903 HG23 ' HG2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -131.67 3.55 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 C-N-CA 118.854 -1.138 . . . . 53.049999999999997 111.942 179.857 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . 48.2 tpp -170.24 56.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.129 0.966 . . . . 55.68 109.925 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.86 160.97 32.93 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 114.326 -1.306 . . . . 46.689999999999998 110.642 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.65 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 4.1 m-70 -148.72 156.18 42.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.764 1.269 . . . . 35.170000000000002 110.511 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.0 p -165.77 149.67 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.561 -0.712 . . . . 52.350000000000001 110.054 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.612 ' O ' ' HA ' ' A' ' 83' ' ' HIS . 7.1 t90 -98.09 110.04 22.69 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 125.165 1.541 . . . . 78.069999999999993 111.555 -175.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.731 ' O ' ' HA ' ' A' ' 110' ' ' PHE . 2.1 t -103.56 121.31 54.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 125.944 1.698 . . . . 43.57 111.293 -179.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HG ' HD11 ' A' ' 81' ' ' ILE . 5.5 tp -100.67 111.38 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.416 0.627 . . . . 36.859999999999999 110.814 175.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -169.15 137.41 1.95 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.026 -0.988 . . . . 56.32 111.918 -177.612 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 174.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 56.710000000000001 112.301 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.33 -10.63 56.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.189 0.519 . . . . 53.579999999999998 110.468 175.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 55' ' ' ASP . . . -72.12 -9.9 59.04 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 119.87 -0.732 . . . . 68.629999999999995 110.737 179.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 88.6 m-20 -143.23 5.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.428 0.529 . . . . 47.609999999999999 112.428 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' MET . . . . . 0.478 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 2.5 ttt -56.85 -52.51 64.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 118.239 0.472 . . . . 49.0 111.946 -177.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.37 -57.25 9.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.816 0.817 . . . . 30.09 111.708 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -57.89 -42.4 94.68 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.681 -0.691 . . . . 46.619999999999997 112.994 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG22 ' OD2' ' A' ' 77' ' ' ASP . 2.4 t -62.44 -30.24 48.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 C-N-CA 118.824 -1.15 . . . . 43.149999999999999 108.622 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 57' ' ' GLN . 55.8 t -68.77 -72.9 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 114.764 -1.107 . . . . 46.579999999999998 110.042 174.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -49.82 -32.79 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.727 0.775 . . . . 36.619999999999997 112.417 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.2 m-20 -92.05 -2.9 56.41 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.998 -0.681 . . . . 57.240000000000002 109.695 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.89 -48.35 4.45 Favored Glycine 0 N--CA 1.449 -0.459 0 O-C-N 125.113 1.508 . . . . 42.030000000000001 111.642 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . 0.812 ' HE2' ' HA ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -71.4 -2.28 15.97 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.855 -1.379 . . . . 57.149999999999999 112.627 177.988 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.07 -32.52 21.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.016 2.126 . . . . 80.909999999999997 111.466 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . 0.698 ' OG ' ' HD3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -80.78 76.03 7.69 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.457 -0.897 . . . . 67.310000000000002 112.041 -177.104 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.39 -150.76 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 125.502 1.525 . . . . 52.840000000000003 114.228 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD13 ' CE2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -120.64 -21.98 6.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.426 -1.324 . . . . 35.039999999999999 107.426 173.868 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 305' ' ' HOH . 2.5 p-10 -77.68 -30.08 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.661 -1.609 . . . . 56.280000000000001 110.14 176.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.91 27.1 0.78 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.542 -1.208 . . . . 52.039999999999999 110.468 174.647 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 46.11 32.86 1.53 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.115 2.166 . . . . 52.579999999999998 111.802 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CE2' HD13 ' A' ' 68' ' ' LEU . 13.9 m-85 45.96 52.08 10.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.958 1.411 . . . . 54.409999999999997 110.545 -179.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 313' ' ' HOH . 0.2 OUTLIER -143.09 131.46 22.17 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 129.976 3.31 . . . . 47.630000000000003 110.627 -175.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 5.0 tttp -70.99 125.02 91.98 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 118.852 -1.139 . . . . 54.329999999999998 109.036 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.698 ' HD3' ' OG ' ' A' ' 66' ' ' SER . 45.5 Cg_exo -59.85 122.75 11.93 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.101 1.201 . . . . 38.390000000000001 112.061 -175.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.95 39.14 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 127.316 2.246 . . . . 64.599999999999994 111.98 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.53 ' OD2' HG22 ' A' ' 59' ' ' VAL . 1.3 t0 -64.03 121.77 14.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.075 0.55 . . . . 61.659999999999997 110.715 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -19.18 60.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 63.289999999999999 109.129 174.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 51' ' ' SER . 0.9 OUTLIER -81.01 29.13 0.34 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.726 -1.579 . . . . 53.549999999999997 111.444 178.54 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 83' ' ' HIS . 93.5 t -154.55 104.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 C-N-CA 128.469 2.708 . . . . 54.350000000000001 108.492 176.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 HD11 ' HG ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -71.81 -31.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 119.458 -0.897 . . . . 37.25 109.816 177.573 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.32 150.58 29.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 43.880000000000003 111.276 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' TRP . 2.3 p80 -157.06 161.26 39.48 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 123.086 0.554 . . . . 45.960000000000001 109.747 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 48' ' ' TRP . 9.3 p -110.31 163.75 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.573 1.078 . . . . 48.240000000000002 110.375 177.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' HB2' ' OD2' ' A' ' 93' ' ' ASP . 0.9 OUTLIER -68.1 164.0 21.24 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.679 -1.209 . . . . 61.600000000000001 108.037 174.989 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' CG ' ' A' ' 41' ' ' LYS . 1.4 tp -81.79 89.17 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.542 1.151 . . . . 60.43 109.825 176.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' H ' ' A' ' 93' ' ' ASP . 3.4 pt -77.48 -164.78 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 116.03 -2.268 . . . . 39.479999999999997 107.793 177.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' GLU . . . -168.34 -168.11 29.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.481 -1.733 . . . . 47.210000000000001 109.474 178.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . 0.656 ' HB3' ' O ' ' A' ' 39' ' ' LEU . 60.6 p -28.97 112.89 0.07 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 127.926 2.49 . . . . 45.979999999999997 113.337 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 1.58 16.81 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.707 -0.679 . . . . 74.359999999999999 114.222 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 25.9 mt-10 -81.79 172.16 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.741 0.77 . . . . 76.620000000000005 110.226 179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -158.54 110.29 2.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.312 0.577 . . . . 65.920000000000002 111.35 -178.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 87' ' ' ILE . 9.4 t0 -126.87 177.74 6.4 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.091 -0.644 . . . . 64.819999999999993 110.99 176.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -157.98 -162.87 1.21 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.866 0.691 . . . . 38.170000000000002 112.866 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 174.99 144.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.2 1.4 . . . . 37.670000000000002 110.984 -175.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' PHE . 2.5 m -125.45 123.43 39.23 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.294 1.038 . . . . 49.380000000000003 109.915 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -111.96 168.13 9.83 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 115.789 -2.365 . . . . 46.810000000000002 112.427 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.15 121.6 26.32 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 113.224 -1.807 . . . . 67.700000000000003 109.004 175.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 99' ' ' VAL . 10.7 t -81.09 15.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.754 -0.378 . . . . 72.819999999999993 111.573 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -100.53 -14.17 18.34 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 127.763 2.425 . . . . 48.109999999999999 109.247 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -80.72 -24.25 38.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.505 2.322 . . . . 52.390000000000001 109.502 172.796 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -88.42 103.23 15.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.426 -1.261 . . . . 56.380000000000003 110.781 -179.366 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 133.28 33.88 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.382 1.087 . . . . 54.689999999999998 111.467 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 340' ' ' HOH . 0.1 OUTLIER -65.22 161.44 19.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.13 -0.941 . . . . 54.289999999999999 110.862 175.83 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 -44.28 1.37 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.984 -0.553 . . . . 52.740000000000002 113.671 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.14 123.34 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.159 0.48 . . . . 48.689999999999998 111.441 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 165.0 1.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.172 -1.011 . . . . 72.230000000000004 109.25 179.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -155.11 141.07 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.804 -0.759 . . . . 59.079999999999998 111.021 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' MET . . . . . 0.751 ' HE1' ' HG3' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -135.43 138.49 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.332 0.493 . . . . 50.920000000000002 112.332 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.731 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 44.3 p90 -107.34 154.35 21.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.603 -0.888 . . . . 70.540000000000006 108.603 171.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.4 p90 -169.61 -174.4 1.88 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 117.558 -1.657 . . . . 47.710000000000001 111.899 -177.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 46' ' ' HIS . 53.9 t -115.78 138.22 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.323 1.449 . . . . 43.579999999999998 109.196 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 73' ' ' LEU . 15.0 p -99.57 -17.88 17.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.13 0.894 . . . . 75.290000000000006 113.212 -171.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.579 ' HE2' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -50.96 119.39 11.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 118.841 -0.599 . . . . 57.420000000000002 110.796 178.339 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.812 ' HA ' ' HE2' ' A' ' 64' ' ' MET . 75.5 Cg_exo -25.23 89.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.325 -0.693 1 C-N-CA 127.433 5.422 . . . . 39.280000000000001 114.98 -175.568 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 94.55 31.01 8.12 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 125.743 1.639 . . . . 64.659999999999997 114.275 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 114' ' ' PHE . 5.1 m-70 -106.99 -49.08 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.862 0.69 . . . . 40.82 112.862 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -47.76 -35.24 9.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.619 1.2 . . . . 44.909999999999997 112.155 175.734 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 353' ' ' HOH . . . -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.525 -1.216 . . . . 42.109999999999999 110.516 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -87.28 -52.86 5.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.719 -1.128 . . . . 71.810000000000002 113.916 -175.89 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 121' ' ' LEU . 1.8 mp -86.59 114.02 22.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.443 0.534 . . . . 56.140000000000001 112.443 -175.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.751 ' HG3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -174.42 -179.51 1.58 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.961 0.356 . . . . 51.770000000000003 111.961 178.446 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.49 147.53 5.72 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 115.276 0.87 . . . . 37.170000000000002 115.276 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -74.6 125.64 29.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.664 1.985 . . . . 61.07 115.678 -174.89 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.692 HD12 ' HB ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -97.33 147.46 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.426 1.49 . . . . 58.079999999999998 111.15 172.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . 0.456 ' HB ' HG23 ' A' ' 21' ' ' THR . 6.4 m -152.14 162.57 40.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.62 0.6 . . . . 46.210000000000001 112.62 -177.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -116.72 58.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.522 1.129 . . . . 52.729999999999997 112.375 -178.759 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.685 0.755 . . . . 59.549999999999997 111.078 -179.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 69' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . 0.454 ' O ' ' HA ' ' A' ' 84' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . 0.469 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . 0.578 ' O ' HD12 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . 0.496 ' O ' ' HA ' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . 0.435 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . 0.523 ' O ' ' HB3' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . 0.439 ' O ' ' HA ' ' A' ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . 0.45 ' O ' ' HA ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' HOH . . . . . 0.442 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_