data_6oty_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6oty _Structure_validation_residue.Date_analyzed 2020-03-27 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' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.578 1.695 . . . . 83.06 115.578 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 p 68.4 1.46 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.377 1.471 . . . . 73.64 113.015 -177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.17 122.63 17.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.023 0.829 . . . . 67.88 110.512 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.9 p -66.27 167.32 10.51 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.281 -0.968 . . . . 68.0 110.274 173.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -53.62 -49.39 89.11 Favored Pre-proline 0 C--O 1.241 0.648 0 CA-C-N 115.368 -0.833 . . . . 74.76 111.487 170.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.45 -39.57 54.85 Favored 'Trans proline' 0 C--O 1.238 0.52 0 CA-C-N 120.961 1.379 . . . . 70.89 113.951 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.44 -45.58 92.42 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.128 -1.029 . . . . 65.6 111.545 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -56.37 -44.52 80.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.185 -0.606 . . . . 63.83 109.996 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.82 95.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.317 -0.401 . . . . 64.03 111.169 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.71 95.69 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.556 -0.857 . . . . 62.5 111.166 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.02 -50.12 71.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.157 0.503 . . . . 58.88 110.254 173.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -57.14 -46.74 82.45 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.959 -0.696 . . . . 95.9 110.951 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -68.02 -41.99 81.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.827 -0.749 . . . . 83.38 111.636 -173.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -43.84 95.02 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.034 -0.666 . . . . 59.52 110.736 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -64.7 -32.51 74.21 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.858 -0.737 . . . . 63.88 110.909 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -64.93 -49.84 68.8 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.952 -0.299 . . . . 63.56 110.707 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -55.18 -49.01 72.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.746 0.308 . . . . 87.47 111.101 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.99 -46.14 52.34 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.851 0.357 . . . . 60.09 111.224 171.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.8 mmm -73.02 -15.55 61.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.325 0.861 . . . . 58.01 113.325 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.79 -26.9 58.79 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.981 0.81 . . . . 80.91 112.124 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -134.97 54.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.929 -1.138 . . . . 100.29 107.929 168.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.09 -31.28 80.16 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.521 -0.763 . . . . 70.79 113.755 -164.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.05 -36.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 118.012 -1.475 . . . . 85.57 110.429 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -62.7 -48.12 80.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.839 -1.145 . . . . 90.17 110.434 166.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -59.7 -39.57 85.03 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 91.32 111.474 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.1 -47.42 88.55 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.02 -1.086 . . . . 71.23 112.017 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -54.52 -37.08 64.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.475 -0.49 . . . . 124.73 110.995 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 -31.22 57.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.621 -0.8 . . . . 82.34 113.272 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.44 -41.13 96.73 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.845 -0.742 . . . . 77.3 111.131 171.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -66.03 -39.79 90.48 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.961 -0.462 . . . . 95.35 112.11 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 72.4 mmm -60.97 -46.47 90.58 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.267 -0.973 . . . . 115.59 110.9 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.49 -49.62 64.37 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.25 -0.58 . . . . 101.51 110.598 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -66.9 -45.77 76.97 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.741 0.305 . . . . 87.4 111.374 -172.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -66.87 -35.21 79.51 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.175 -0.61 . . . . 96.22 111.254 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -71.12 -40.23 71.57 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.271 -0.572 . . . . 116.38 111.217 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.58 69.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.886 -0.726 . . . . 92.78 111.745 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -139.06 81.53 21.26 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 108.611 -0.885 . . . . 103.36 108.611 -173.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -65.9 -20.26 58.1 Favored 'Trans proline' 0 CA--C 1.51 -0.696 0 N-CA-C 114.514 0.929 . . . . 120.01 114.514 -168.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 11.4 pm0 -63.91 -19.52 65.16 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.406 -0.918 . . . . 134.68 111.694 177.248 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.8 p -62.66 -19.39 63.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.45 0.568 . . . . 109.98 112.014 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.03 -28.77 66.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.479 -0.488 . . . . 117.52 111.832 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 p -72.95 -36.31 3.32 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 119.408 -0.917 . . . . 104.27 111.983 -171.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.53 -22.87 45.06 Favored 'Trans proline' 0 CA--C 1.513 -0.537 0 CA-C-N 121.321 1.508 . . . . 79.97 112.453 165.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.21 9.31 41.4 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 112.183 0.438 . . . . 86.95 112.183 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -23.47 65.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.297 -1.361 . . . . 92.28 111.247 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -69.38 -41.47 76.44 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 121.01 -0.276 . . . . 84.38 111.168 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 18.4 tp -83.87 -54.34 4.95 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.932 0.396 . . . . 105.03 111.795 178.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -98.66 -4.91 32.75 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 113.531 0.937 . . . . 86.7 113.531 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.33 -21.08 59.39 Favored Glycine 0 CA--C 1.506 -0.471 0 C-N-CA 119.865 -1.159 . . . . 103.16 114.228 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -16.35 77.18 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 119.053 -1.546 . . . . 88.72 113.882 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.2 152.03 21.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 117.643 0.722 . . . . 93.3 111.22 -174.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -85.85 177.29 7.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.958 0.885 . . . . 86.1 109.4 168.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.75 -48.47 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.583 -0.735 . . . . 101.61 110.711 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.93 93.57 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.547 -0.461 . . . . 96.59 111.583 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -63.26 -18.19 63.3 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.209 -0.596 . . . . 85.77 112.389 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.8 mt -71.3 -21.42 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.563 -0.855 . . . . 82.94 112.716 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.68 128.13 34.66 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 118.852 0.751 . . . . 145.03 111.137 -175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 60.43 22.01 11.63 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.506 1.122 . . . . 128.03 112.292 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -79.39 141.72 57.47 Favored Pre-proline 0 C--O 1.239 0.53 0 C-N-CA 123.762 0.825 . . . . 87.52 109.837 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.79 -46.02 26.07 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 N-CA-C 114.047 0.749 . . . . 77.34 114.047 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 47' ' ' LEU . 5.0 mtpt -70.14 -33.02 71.27 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.679 -0.808 . . . . 90.27 111.628 -176.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 61.5 tpp -70.73 -39.6 73.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.018 -1.073 . . . . 85.43 110.54 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -60.85 -45.68 93.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.815 -0.754 . . . . 95.74 110.426 175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.39 92.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.593 -0.843 . . . . 64.05 111.538 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.59 -39.67 94.97 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.669 -0.812 . . . . 68.28 110.711 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -66.36 -35.08 79.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 119.885 -0.726 . . . . 70.23 110.273 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.34 -46.92 72.0 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.51 -0.476 . . . . 62.64 111.519 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 m -67.58 -31.59 53.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 118.353 -1.339 . . . . 67.12 110.525 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.69 -48.55 76.66 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.77 -0.581 . . . . 68.81 111.123 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.04 -43.06 99.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 118.514 -1.274 . . . . 71.57 111.134 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -56.51 -44.91 81.21 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.431 -0.508 . . . . 95.23 110.757 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.71 -53.92 39.66 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 119.749 -1.215 . . . . 63.78 112.123 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.7 tpp -58.01 -44.11 87.06 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.64 -0.424 . . . . 78.67 111.316 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -59.84 -34.14 72.7 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.683 -1.207 . . . . 70.95 111.947 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -64.6 -35.45 81.03 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 119.07 -1.052 . . . . 70.35 110.792 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -64.2 -55.36 22.25 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.44 0.638 . . . . 61.82 110.855 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.89 -33.36 49.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.167 -0.469 . . . . 55.42 111.046 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -73.35 -0.3 14.27 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 113.435 0.902 . . . . 76.42 113.435 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -132.61 29.73 4.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 119.578 1.081 . . . . 64.33 110.444 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.53 -26.83 67.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.622 -0.717 . . . . 61.86 111.782 174.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -105.04 9.8 34.26 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.654 0.983 . . . . 67.07 113.654 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -131.78 72.86 1.51 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.564 -1.273 . . . . 72.1 107.564 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -30.51 71.32 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.507 -0.77 . . . . 106.69 112.838 -173.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -53.84 -44.88 70.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.98 -0.688 . . . . 80.8 110.92 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mtp -75.21 -41.09 58.53 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.333 -0.547 . . . . 76.45 111.485 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.86 -44.71 74.25 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.324 -0.55 . . . . 62.31 110.192 -176.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.29 -36.77 78.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.297 -0.41 . . . . 68.36 110.979 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.57 -50.02 77.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 118.684 -1.206 . . . . 66.1 109.891 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.7 mt -51.94 -46.05 64.58 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.244 -0.434 . . . . 56.55 111.457 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.07 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 119.75 -0.78 . . . . 68.07 109.934 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -70.35 -39.64 74.54 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.466 -0.334 . . . . 73.91 111.4 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -48.71 -47.87 40.76 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.565 -0.854 . . . . 79.85 109.538 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.88 -43.9 91.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.728 -0.389 . . . . 89.47 111.64 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.84 84.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.328 -0.549 . . . . 71.74 111.183 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -59.74 -52.48 65.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.689 0.281 . . . . 96.31 111.198 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.22 -39.39 82.53 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.448 -0.901 . . . . 75.61 111.023 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -75.41 -41.03 57.09 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 119.556 -0.858 . . . . 89.31 112.028 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -57.71 -25.71 60.73 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.312 -0.555 . . . . 99.33 111.136 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -70.29 -15.22 62.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.404 0.52 . . . . 116.61 112.404 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -111.66 24.96 12.13 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.867 0.691 . . . . 110.33 112.867 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.65 1.4 45.37 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 115.988 1.155 . . . . 110.1 115.988 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.85 142.27 14.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 119.08 1.44 . . . . 116.32 108.679 173.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.75 -177.58 4.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.522 0.677 . . . . 183.34 109.735 172.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.62 -5.48 20.26 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.951 1.093 . . . . 132.74 113.951 -163.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 p -92.31 -34.54 14.17 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.867 1.212 . . . . 123.14 111.965 169.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -59.58 -48.74 80.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.317 -0.553 . . . . 113.62 110.578 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.42 -37.2 84.68 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.638 -0.425 . . . . 114.81 111.47 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -64.29 -43.01 96.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.17 -1.012 . . . . 131.68 111.256 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -65.11 -30.04 70.94 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.189 -1.004 . . . . 117.99 111.038 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.55 82.48 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.498 -0.481 . . . . 85.28 110.928 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -57.06 -42.05 79.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.592 -0.443 . . . . 100.16 111.388 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.02 -24.66 67.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.147 -0.621 . . . . 129.61 111.6 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.5 mt -84.19 -32.85 8.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.167 -0.613 . . . . 104.43 110.599 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.31 -36.03 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.061 -0.655 . . . . 78.41 111.046 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.57 -52.42 51.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 120.239 -0.585 . . . . 75.07 110.328 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -56.15 -43.33 78.18 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.637 -0.825 . . . . 109.1 110.77 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -56.88 -42.35 79.68 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 119.315 -0.954 . . . . 78.45 110.787 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.0 mtp -70.87 -39.2 73.0 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.43 -0.508 . . . . 84.45 111.606 -174.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.54 -47.64 72.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.086 -1.046 . . . . 121.45 110.055 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.54 -24.33 46.08 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.775 0.287 . . . . 137.94 111.775 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -106.75 15.85 25.12 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.732 -0.605 . . . . 93.03 112.236 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.4 m120 53.75 42.76 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.067 0.947 . . . . 93.76 111.68 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -87.12 -18.57 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 87.72 112.392 165.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 mmt -80.51 97.0 6.95 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.426 1.09 . . . . 111.18 110.591 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.15 176.56 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.749 -0.834 . . . . 105.42 108.749 165.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.58 136.99 39.23 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.419 -0.896 . . . . 97.4 112.194 -172.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.95 -12.98 15.33 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.027 -0.874 . . . . 98.82 114.875 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.84 92.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.576 1.188 . . . . 73.16 111.846 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.87 -58.4 8.79 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 118.319 -1.352 . . . . 88.33 110.409 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.57 -40.38 18.98 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.881 0.697 . . . . 83.39 112.881 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.04 -38.72 56.86 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 117.437 -1.705 . . . . 67.98 111.176 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -58.94 -42.01 88.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.057 -0.657 . . . . 61.35 111.589 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.19 -41.9 80.18 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.642 -0.823 . . . . 109.46 110.545 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.56 84.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.137 0.494 . . . . 68.84 110.102 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.16 -37.54 74.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.794 0.33 . . . . 68.89 111.197 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.77 -35.31 54.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 120.509 -0.477 . . . . 83.2 110.696 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.19 -40.93 92.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.366 -1.397 . . . . 83.39 112.255 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -68.48 -45.92 71.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.575 -0.85 . . . . 80.51 111.205 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.5 mt -54.5 -45.35 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 109.563 -0.532 . . . . 73.26 109.563 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' CYS . . . . . . . . . . . . . 48.1 m -72.42 -41.03 66.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 112.196 0.443 . . . . 88.12 112.196 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -54.63 -46.67 73.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.348 -0.941 . . . . 90.48 109.871 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.5 m -61.41 -45.04 96.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.197 -0.456 . . . . 91.56 111.866 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.78 -62.57 1.61 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.631 -0.668 . . . . 100.12 111.328 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.89 93.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.157 -1.021 . . . . 110.96 112.147 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -56.0 -48.7 75.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.992 0.425 . . . . 102.91 110.968 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -55.73 -56.97 14.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.091 0.472 . . . . 109.62 111.49 174.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 mtm -71.57 -1.43 13.48 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.016 1.117 . . . . 123.74 114.016 -166.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -32.83 51.3 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 120.42 1.464 . . . . 137.3 111.421 168.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . . . -93.45 58.02 2.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 122.177 0.989 . . . . 129.41 110.214 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 mt -169.18 140.56 2.41 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.932 -1.031 . . . . 167.84 108.33 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.593 0.96 . . . . 160.75 113.593 176.246 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.167 0.432 . . . . 99.51 112.167 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.4 p -61.96 -23.44 66.38 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.902 0.704 . . . . 86.71 112.902 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.87 -0.47 44.87 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.414 -0.898 . . . . 87.95 114.901 -173.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.41 150.78 38.25 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 118.743 1.272 . . . . 87.16 109.893 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -85.25 171.66 11.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.991 -1.004 . . . . 103.61 110.515 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -58.44 13.92 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.936 -1.029 . . . . 93.81 112.262 172.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.95 -51.36 10.68 Favored 'Trans proline' 0 N--CA 1.478 0.577 0 N-CA-C 114.176 0.798 . . . . 96.3 114.176 172.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -57.54 -45.78 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.164 -0.614 . . . . 114.83 111.058 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 81' ' ' LEU . 74.1 mttt -58.06 -39.8 79.42 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.224 -0.591 . . . . 97.2 110.66 176.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.8 67.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.845 -0.342 . . . . 89.54 111.582 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.71 80.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.319 -0.952 . . . . 91.92 111.788 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.7 -49.63 72.35 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.22 -0.592 . . . . 80.22 111.099 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.17 -35.13 71.11 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.159 -0.616 . . . . 98.37 110.796 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -70.28 -53.82 15.25 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.018 0.437 . . . . 94.81 111.637 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.4 p -62.43 -39.88 94.74 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.836 -0.746 . . . . 82.18 110.653 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -63.49 -26.76 68.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.221 -0.992 . . . . 68.85 110.988 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -39.95 71.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.768 -0.373 . . . . 72.19 110.785 173.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -60.47 -54.72 42.09 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.606 -0.438 . . . . 94.86 111.231 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.63 -47.47 58.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.939 -0.476 . . . . 66.65 111.651 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 83.4 mmm -66.5 -20.57 66.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.047 -0.661 . . . . 61.01 112.3 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.24 -15.16 56.21 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.453 0.538 . . . . 67.6 112.453 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -146.52 55.65 1.14 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.442 -1.318 . . . . 60.34 107.442 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.15 -52.63 60.53 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.732 -0.667 . . . . 65.95 112.286 -166.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.59 -47.57 76.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.88 -0.728 . . . . 62.38 110.639 -172.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -55.97 -45.37 78.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.828 -0.749 . . . . 61.72 110.661 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -70.57 -37.11 73.92 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 117.975 -1.49 . . . . 71.39 110.789 -176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.09 64.86 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.057 -1.068 . . . . 69.02 112.436 174.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.9 p -70.34 -39.74 74.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 118.874 -1.131 . . . . 78.29 111.558 -175.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -55.43 -44.96 76.76 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.755 -0.778 . . . . 79.07 110.222 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -56.2 -43.02 78.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.115 -0.634 . . . . 69.38 110.533 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.489 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 11.4 m-85 -65.04 -43.43 92.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.498 -0.481 . . . . 78.62 111.647 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -45.07 87.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.33 -0.548 . . . . 98.18 110.651 176.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.35 -34.7 77.16 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.586 -0.446 . . . . 96.7 111.287 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.76 -36.65 62.57 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.633 -0.427 . . . . 73.85 111.204 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -73.4 -40.86 63.97 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 77.46 111.526 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . . . -62.05 -42.06 98.78 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 118.748 -1.181 . . . . 71.93 110.538 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.93 56.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.559 -0.456 . . . . 80.7 112.202 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -130.15 80.68 70.35 Favored Pre-proline 0 C--O 1.24 0.561 0 N-CA-C 108.685 -0.858 . . . . 100.41 108.685 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.87 -28.67 31.98 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 N-CA-C 114.59 0.958 . . . . 83.28 114.59 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -37.59 70.71 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.691 0.678 . . . . 124.63 111.101 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -65.13 5.95 0.31 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 119.283 -0.967 . . . . 71.89 112.163 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.33 -17.37 26.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 117.398 -3.314 . . . . 96.4 112.592 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -63.0 -41.77 72.97 Favored Pre-proline 0 C--O 1.248 0.98 0 CA-C-O 117.716 -1.135 . . . . 107.5 113.301 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -59.89 -24.6 76.73 Favored 'Trans proline' 0 C--O 1.236 0.405 0 CA-C-N 122.161 1.807 . . . . 80.64 114.807 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -88.41 4.81 45.03 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.813 1.042 . . . . 71.87 113.813 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -64.37 -28.78 69.93 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 117.981 -1.488 . . . . 81.74 111.337 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -72.1 -44.04 63.83 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.108 -1.037 . . . . 91.46 111.173 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 tp -56.57 -48.03 78.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.99 -0.684 . . . . 75.58 110.853 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.02 25.39 6.77 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.136 0.974 . . . . 82.4 113.003 -168.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.05 -41.22 82.85 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.331 -0.548 . . . . 148.63 111.897 -165.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.81 33.98 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.65 -0.656 . . . . 123.54 112.264 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.85 124.92 71.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 107.877 -1.157 . . . . 91.22 107.877 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.0 p -91.09 156.03 18.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 102.59 109.75 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -55.63 -33.01 63.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.205 -0.907 . . . . 98.6 111.731 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.48 -10.83 55.28 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.266 0.469 . . . . 120.09 112.266 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.55 7.39 3.29 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.983 1.105 . . . . 123.57 113.983 -176.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptp -78.17 -44.02 27.01 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.572 -1.251 . . . . 89.81 111.588 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 15.7 m -43.49 125.19 3.83 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 106.737 -1.579 . . . . 108.84 106.737 154.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 89.29 -4.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.182 1.393 . . . . 120.0 111.616 170.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -87.47 136.14 33.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 125.631 1.572 . . . . 74.55 110.86 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.47 -39.42 74.28 Favored 'Trans proline' 0 C--O 1.239 0.558 0 O-C-N 123.446 1.235 . . . . 65.15 113.681 -176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -58.44 -45.68 88.03 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.262 -1.375 . . . . 78.93 110.168 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 29.7 tpp -69.94 -35.59 74.63 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.512 -0.875 . . . . 78.8 111.193 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.65 -43.37 96.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.056 -0.658 . . . . 78.55 110.063 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.76 75.66 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.674 -0.411 . . . . 62.24 110.93 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -62.76 -39.0 92.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.43 -0.908 . . . . 60.58 110.768 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.86 73.6 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 118.8 -1.16 . . . . 61.65 110.783 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.91 -50.32 69.18 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.0 0.429 . . . . 59.08 110.984 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -65.97 -31.67 54.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 118.964 -1.094 . . . . 77.97 110.781 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.12 -43.69 98.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.144 -0.622 . . . . 58.34 111.721 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.11 -43.09 93.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 119.526 -0.87 . . . . 60.81 111.884 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -57.48 -41.58 80.95 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.338 -0.945 . . . . 63.25 110.867 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.04 22.67 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.203 -0.522 . . . . 65.46 112.359 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 16.3 mmm -67.15 -38.49 85.58 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.308 -0.957 . . . . 84.54 111.099 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -60.62 -42.52 97.02 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 118.584 -1.246 . . . . 61.15 110.44 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 53.0 p -54.98 -43.15 73.28 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.009 -0.676 . . . . 65.36 111.177 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -64.08 -53.06 55.7 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.937 -0.705 . . . . 64.96 110.706 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.3 t -59.13 -45.36 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.211 0.529 . . . . 64.46 110.507 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -82.24 -4.1 56.44 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.583 0.957 . . . . 78.83 113.583 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -118.81 36.34 4.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.737 0.779 . . . . 74.2 110.975 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' B' ' 9' ' ' LYS . 29.7 mt -77.94 -13.89 59.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.95 -0.469 . . . . 86.89 111.952 172.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 82' ' ' ASP . 89.8 m-20 -83.04 -18.0 41.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.358 0.527 . . . . 82.23 112.314 173.515 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -125.34 91.9 3.51 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.633 0.773 . . . . 99.98 109.265 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -71.13 -49.57 42.68 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.86 -0.609 . . . . 92.28 112.392 -160.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -66.72 -25.63 66.61 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 118.75 -1.18 . . . . 127.45 111.387 -175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 t -71.52 -46.17 64.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.51 0.672 . . . . 71.22 109.697 173.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 35.7 tp -50.91 -41.39 58.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.181 -0.463 . . . . 68.51 110.195 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.42 -47.25 87.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 120.996 0.427 . . . . 78.38 110.626 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.14 -31.59 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 119.243 -0.983 . . . . 91.57 110.736 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.06 -53.58 56.79 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.572 -1.251 . . . . 63.67 110.756 173.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.32 -41.57 69.15 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.747 0.308 . . . . 66.39 110.943 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.38 -38.04 74.64 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.279 -0.968 . . . . 76.4 110.921 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -52.94 -47.77 67.81 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.042 -0.663 . . . . 87.72 110.774 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' MET . . . . . 0.497 ' SD ' ' NE2' ' B' ' 144' ' ' GLN . 9.2 ttt -64.81 -49.21 71.56 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.962 -0.295 . . . . 75.75 110.896 -176.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.38 64.75 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.006 -0.278 . . . . 84.77 111.582 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -64.69 -44.15 91.25 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.14 -0.624 . . . . 89.05 110.59 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.19 -50.14 75.15 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.24 -0.584 . . . . 75.66 110.925 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HIS . . . . . 0.41 ' CE1' ' NA ' ' A' ' 500' ' ' HEM . 54.8 m80 -78.42 33.4 0.2 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.685 1.194 . . . . 126.36 113.778 -177.553 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -147.52 -44.45 0.17 Allowed 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 103.682 -2.71 . . . . 97.15 103.682 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.91 -19.68 1.9 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.787 -1.097 . . . . 103.31 111.272 161.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . 0.478 ' NH2' ' O1A' ' A' ' 500' ' ' HEM . 63.9 mtt85 -98.23 6.52 47.35 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.668 0.988 . . . . 95.37 113.668 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 -15.9 52.65 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 118.744 -1.031 . . . . 88.3 115.299 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.35 145.19 13.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.749 1.274 . . . . 78.77 109.183 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.33 178.71 6.38 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.58 -1.267 . . . . 98.73 107.58 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 tp -63.73 -30.9 51.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 119.64 -0.824 . . . . 92.61 111.744 -168.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . . . -49.34 -53.92 19.75 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.172 -0.611 . . . . 89.92 110.486 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -67.07 -42.74 84.18 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.922 -0.711 . . . . 117.97 111.154 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.41 -49.97 72.98 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.52 -0.472 . . . . 74.66 111.41 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -61.8 -39.72 92.73 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.362 -0.535 . . . . 112.97 111.442 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.72 -43.55 97.72 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.15 -0.62 . . . . 96.09 111.094 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.32 -48.15 85.38 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.214 -0.993 . . . . 70.76 111.993 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -58.65 -41.02 85.1 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.384 -0.926 . . . . 81.91 110.434 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.08 -42.02 86.56 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.349 -0.929 . . . . 70.97 112.489 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.36 -44.17 90.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.089 -1.044 . . . . 66.8 110.103 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.94 -43.54 69.91 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.274 -0.57 . . . . 75.75 111.389 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -66.14 -43.7 86.28 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.37 -0.932 . . . . 84.46 111.383 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.96 -42.9 90.97 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.822 -1.151 . . . . 110.26 111.023 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -56.83 -48.63 77.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.275 -0.57 . . . . 75.5 111.376 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 76.4 mt -57.09 -34.69 68.57 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.577 -0.449 . . . . 70.76 111.774 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -74.73 -35.8 62.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.887 -1.125 . . . . 96.96 111.861 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -83.68 -23.6 31.66 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.486 0.921 . . . . 108.02 113.486 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.72 -19.36 2.66 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.7 1.37 . . . . 108.05 114.7 -170.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.5 m -116.21 20.59 14.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 119.247 0.931 . . . . 87.11 111.777 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 57.38 20.65 6.1 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.196 0.998 . . . . 146.47 112.911 168.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.51 120.82 8.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.98 -0.748 . . . . 96.48 108.98 170.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -151.65 145.62 25.21 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.215 -0.661 . . . . 171.38 109.215 -163.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 42.93 -108.12 0.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 115.951 1.14 . . . . 111.37 115.951 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.0 t -64.76 -29.59 70.57 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.354 -0.539 . . . . 113.43 111.976 -172.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -81.16 -26.51 35.99 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.295 0.48 . . . . 118.52 112.295 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -62.46 -51.6 66.83 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.713 0.292 . . . . 117.56 111.073 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.7 -37.85 77.0 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.702 -0.399 . . . . 123.31 111.03 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.52 98.61 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.672 -0.411 . . . . 83.47 111.314 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -63.29 -40.26 96.87 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.955 -0.698 . . . . 80.58 110.946 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.89 -52.24 64.77 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.642 0.258 . . . . 113.56 111.56 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -64.55 -42.96 95.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.516 -0.474 . . . . 101.25 111.21 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.76 -52.15 50.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.981 0.42 . . . . 73.24 111.271 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.62 -45.38 98.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.169 0.509 . . . . 70.95 110.882 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.36 57.78 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.334 -0.546 . . . . 83.43 111.308 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.92 -45.4 93.87 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.875 -0.73 . . . . 86.41 111.394 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 75.4 mt -51.94 -46.64 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.089 0.471 . . . . 75.65 111.334 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 145' ' ' GLY . 58.8 m -73.29 -37.02 66.39 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.352 -0.939 . . . . 84.73 111.317 -176.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -54.5 -48.45 71.85 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.451 -0.5 . . . . 127.0 110.151 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -65.25 -59.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.085 0.469 . . . . 80.45 110.676 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLN . . . . . 0.497 ' NE2' ' SD ' ' B' ' 94' ' ' MET . 36.6 mt-30 -59.67 -40.34 87.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.996 -0.682 . . . . 92.89 111.69 -179.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 141' ' ' CYS . . . -65.21 -46.27 88.17 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.186 -1.007 . . . . 91.55 113.193 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.56 -34.15 77.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 119.894 -0.723 . . . . 111.36 110.85 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.61 -47.13 86.85 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.052 -0.659 . . . . 102.49 110.989 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' MET . . . . . . . . . . . . . 4.8 mtm -75.38 -35.66 61.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.117 -0.633 . . . . 103.57 111.783 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.39 -29.58 64.2 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.58 -0.848 . . . . 123.31 110.856 173.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.84 12.82 0.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.18 0.437 . . . . 160.46 112.18 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.38 83.07 1.31 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 122.642 1.21 . . . . 175.03 107.974 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.532 0.253 0 O-C-N 121.391 -0.818 . . . . 145.75 110.989 176.438 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' HEM . . . . . 0.478 ' O1A' ' NH2' ' B' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . 0.489 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.578 1.695 . . . . 83.06 115.578 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 p 68.4 1.46 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.377 1.471 . . . . 73.64 113.015 -177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.17 122.63 17.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.023 0.829 . . . . 67.88 110.512 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 69.9 p -66.27 167.32 10.51 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.281 -0.968 . . . . 68.0 110.274 173.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -53.62 -49.39 89.11 Favored Pre-proline 0 C--O 1.241 0.648 0 CA-C-N 115.368 -0.833 . . . . 74.76 111.487 170.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 51.2 Cg_exo -61.45 -39.57 54.85 Favored 'Trans proline' 0 C--O 1.238 0.52 0 CA-C-N 120.961 1.379 . . . . 70.89 113.951 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.44 -45.58 92.42 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.128 -1.029 . . . . 65.6 111.545 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -56.37 -44.52 80.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.185 -0.606 . . . . 63.83 109.996 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.82 95.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.317 -0.401 . . . . 64.03 111.169 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.71 95.69 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.556 -0.857 . . . . 62.5 111.166 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.02 -50.12 71.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.157 0.503 . . . . 58.88 110.254 173.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -57.14 -46.74 82.45 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.959 -0.696 . . . . 95.9 110.951 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -68.02 -41.99 81.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.827 -0.749 . . . . 83.38 111.636 -173.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -43.84 95.02 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.034 -0.666 . . . . 59.52 110.736 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -64.7 -32.51 74.21 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.858 -0.737 . . . . 63.88 110.909 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -64.93 -49.84 68.8 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.952 -0.299 . . . . 63.56 110.707 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -55.18 -49.01 72.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.746 0.308 . . . . 87.47 111.101 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.99 -46.14 52.34 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.851 0.357 . . . . 60.09 111.224 171.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.8 mmm -73.02 -15.55 61.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.325 0.861 . . . . 58.01 113.325 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.79 -26.9 58.79 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.981 0.81 . . . . 80.91 112.124 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -134.97 54.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.929 -1.138 . . . . 100.29 107.929 168.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.09 -31.28 80.16 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.521 -0.763 . . . . 70.79 113.755 -164.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.05 -36.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 118.012 -1.475 . . . . 85.57 110.429 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -62.7 -48.12 80.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.839 -1.145 . . . . 90.17 110.434 166.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -59.7 -39.57 85.03 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 91.32 111.474 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.1 -47.42 88.55 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.02 -1.086 . . . . 71.23 112.017 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . 0.785 ' HG2' ' HG3' ' A' ' 62' ' ' MET . 53.1 mt-30 -54.52 -37.08 64.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.475 -0.49 . . . . 124.73 110.995 175.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 -31.22 57.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.621 -0.8 . . . . 82.34 113.272 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.44 -41.13 96.73 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.845 -0.742 . . . . 77.3 111.131 171.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -66.03 -39.79 90.48 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.961 -0.462 . . . . 95.35 112.11 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 72.4 mmm -60.97 -46.47 90.58 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.267 -0.973 . . . . 115.59 110.9 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.49 -49.62 64.37 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.25 -0.58 . . . . 101.51 110.598 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 113' ' ' ILE . 32.2 tp -66.9 -45.77 76.97 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.741 0.305 . . . . 87.4 111.374 -172.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -66.87 -35.21 79.51 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.175 -0.61 . . . . 96.22 111.254 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -71.12 -40.23 71.57 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.271 -0.572 . . . . 116.38 111.217 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.58 69.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.886 -0.726 . . . . 92.78 111.745 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 39' ' ' GLU . 38.5 m80 -139.06 81.53 21.26 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 108.611 -0.885 . . . . 103.36 108.611 -173.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -65.9 -20.26 58.1 Favored 'Trans proline' 0 CA--C 1.51 -0.696 0 N-CA-C 114.514 0.929 . . . . 120.01 114.514 -168.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 37' ' ' HIS . 11.4 pm0 -63.91 -19.52 65.16 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.406 -0.918 . . . . 134.68 111.694 177.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.8 p -62.66 -19.39 63.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.45 0.568 . . . . 109.98 112.014 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.03 -28.77 66.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.479 -0.488 . . . . 117.52 111.832 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 p -72.95 -36.31 3.32 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 119.408 -0.917 . . . . 104.27 111.983 -171.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.53 -22.87 45.06 Favored 'Trans proline' 0 CA--C 1.513 -0.537 0 CA-C-N 121.321 1.508 . . . . 79.97 112.453 165.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.21 9.31 41.4 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 112.183 0.438 . . . . 86.95 112.183 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -23.47 65.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.297 -1.361 . . . . 92.28 111.247 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -69.38 -41.47 76.44 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 121.01 -0.276 . . . . 84.38 111.168 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' O ' ' HE2' ' A' ' 61' ' ' LYS . 18.4 tp -83.87 -54.34 4.95 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.932 0.396 . . . . 105.03 111.795 178.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -98.66 -4.91 32.75 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 113.531 0.937 . . . . 86.7 113.531 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.33 -21.08 59.39 Favored Glycine 0 CA--C 1.506 -0.471 0 C-N-CA 119.865 -1.159 . . . . 103.16 114.228 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -16.35 77.18 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 119.053 -1.546 . . . . 88.72 113.882 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.2 152.03 21.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 117.643 0.722 . . . . 93.3 111.22 -174.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -85.85 177.29 7.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.958 0.885 . . . . 86.1 109.4 168.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.75 -48.47 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.583 -0.735 . . . . 101.61 110.711 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.93 93.57 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.547 -0.461 . . . . 96.59 111.583 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -63.26 -18.19 63.3 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.209 -0.596 . . . . 85.77 112.389 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 62' ' ' MET . 29.8 mt -71.3 -21.42 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.563 -0.855 . . . . 82.94 112.716 -174.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.68 128.13 34.66 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 118.852 0.751 . . . . 145.03 111.137 -175.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 60.43 22.01 11.63 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.506 1.122 . . . . 128.03 112.292 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -79.39 141.72 57.47 Favored Pre-proline 0 C--O 1.239 0.53 0 C-N-CA 123.762 0.825 . . . . 87.52 109.837 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.79 -46.02 26.07 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 N-CA-C 114.047 0.749 . . . . 77.34 114.047 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.802 ' HE2' ' O ' ' A' ' 47' ' ' LEU . 5.0 mtpt -70.14 -33.02 71.27 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.679 -0.808 . . . . 90.27 111.628 -176.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . 0.785 ' HG3' ' HG2' ' A' ' 27' ' ' GLN . 61.5 tpp -70.73 -39.6 73.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.018 -1.073 . . . . 85.43 110.54 176.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -60.85 -45.68 93.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.815 -0.754 . . . . 95.74 110.426 175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.39 92.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.593 -0.843 . . . . 64.05 111.538 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.59 -39.67 94.97 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.669 -0.812 . . . . 68.28 110.711 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -66.36 -35.08 79.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 119.885 -0.726 . . . . 70.23 110.273 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 90' ' ' LEU . 40.7 tp -67.34 -46.92 72.0 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.51 -0.476 . . . . 62.64 111.519 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 m -67.58 -31.59 53.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 118.353 -1.339 . . . . 67.12 110.525 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.69 -48.55 76.66 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.77 -0.581 . . . . 68.81 111.123 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.04 -43.06 99.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 118.514 -1.274 . . . . 71.57 111.134 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -56.51 -44.91 81.21 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.431 -0.508 . . . . 95.23 110.757 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.71 -53.92 39.66 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 119.749 -1.215 . . . . 63.78 112.123 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.7 tpp -58.01 -44.11 87.06 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.64 -0.424 . . . . 78.67 111.316 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -59.84 -34.14 72.7 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.683 -1.207 . . . . 70.95 111.947 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -64.6 -35.45 81.03 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 119.07 -1.052 . . . . 70.35 110.792 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -64.2 -55.36 22.25 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.44 0.638 . . . . 61.82 110.855 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.89 -33.36 49.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.167 -0.469 . . . . 55.42 111.046 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -73.35 -0.3 14.27 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 113.435 0.902 . . . . 76.42 113.435 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -132.61 29.73 4.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 119.578 1.081 . . . . 64.33 110.444 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.53 -26.83 67.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.622 -0.717 . . . . 61.86 111.782 174.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -105.04 9.8 34.26 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.654 0.983 . . . . 67.07 113.654 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -131.78 72.86 1.51 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.564 -1.273 . . . . 72.1 107.564 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -30.51 71.32 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.507 -0.77 . . . . 106.69 112.838 -173.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -53.84 -44.88 70.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.98 -0.688 . . . . 80.8 110.92 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mtp -75.21 -41.09 58.53 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.333 -0.547 . . . . 76.45 111.485 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.86 -44.71 74.25 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.324 -0.55 . . . . 62.31 110.192 -176.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.29 -36.77 78.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.297 -0.41 . . . . 68.36 110.979 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.57 -50.02 77.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 118.684 -1.206 . . . . 66.1 109.891 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.7 mt -51.94 -46.05 64.58 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.244 -0.434 . . . . 56.55 111.457 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.07 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 119.75 -0.78 . . . . 68.07 109.934 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -70.35 -39.64 74.54 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.466 -0.334 . . . . 73.91 111.4 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -48.71 -47.87 40.76 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.565 -0.854 . . . . 79.85 109.538 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.88 -43.9 91.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.728 -0.389 . . . . 89.47 111.64 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB2' HD13 ' A' ' 143' ' ' LEU . . . -59.23 -39.84 84.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.328 -0.549 . . . . 71.74 111.183 -177.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -59.74 -52.48 65.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.689 0.281 . . . . 96.31 111.198 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.22 -39.39 82.53 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.448 -0.901 . . . . 75.61 111.023 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -75.41 -41.03 57.09 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 119.556 -0.858 . . . . 89.31 112.028 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -57.71 -25.71 60.73 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.312 -0.555 . . . . 99.33 111.136 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -70.29 -15.22 62.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.404 0.52 . . . . 116.61 112.404 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.702 ' HB2' HD12 ' A' ' 102' ' ' ILE . 7.2 mtt85 -111.66 24.96 12.13 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.867 0.691 . . . . 110.33 112.867 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.65 1.4 45.37 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 115.988 1.155 . . . . 110.1 115.988 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . 0.702 HD12 ' HB2' ' A' ' 100' ' ' ARG . 3.4 mp -79.85 142.27 14.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 119.08 1.44 . . . . 116.32 108.679 173.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.75 -177.58 4.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.522 0.677 . . . . 183.34 109.735 172.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . 0.623 ' H ' ' HE1' ' A' ' 147' ' ' MET . . . -68.62 -5.48 20.26 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.951 1.093 . . . . 132.74 113.951 -163.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 p -92.31 -34.54 14.17 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.867 1.212 . . . . 123.14 111.965 169.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' ILE . 67.1 m-20 -59.58 -48.74 80.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.317 -0.553 . . . . 113.62 110.578 170.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.42 -37.2 84.68 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.638 -0.425 . . . . 114.81 111.47 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -64.29 -43.01 96.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.17 -1.012 . . . . 131.68 111.256 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -65.11 -30.04 70.94 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.189 -1.004 . . . . 117.99 111.038 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.55 82.48 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.498 -0.481 . . . . 85.28 110.928 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . 0.66 ' CZ ' ' HAB' ' B' ' 500' ' ' HEM . 33.5 m-85 -57.06 -42.05 79.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.592 -0.443 . . . . 100.16 111.388 -179.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.02 -24.66 67.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.147 -0.621 . . . . 129.61 111.6 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 33' ' ' LEU . 7.5 mt -84.19 -32.85 8.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.167 -0.613 . . . . 104.43 110.599 179.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.31 -36.03 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.061 -0.655 . . . . 78.41 111.046 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.57 -52.42 51.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 120.239 -0.585 . . . . 75.07 110.328 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -56.15 -43.33 78.18 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.637 -0.825 . . . . 109.1 110.77 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -56.88 -42.35 79.68 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 119.315 -0.954 . . . . 78.45 110.787 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.0 mtp -70.87 -39.2 73.0 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.43 -0.508 . . . . 84.45 111.606 -174.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.54 -47.64 72.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.086 -1.046 . . . . 121.45 110.055 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.54 -24.33 46.08 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.775 0.287 . . . . 137.94 111.775 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -106.75 15.85 25.12 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.732 -0.605 . . . . 93.03 112.236 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.4 m120 53.75 42.76 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.067 0.947 . . . . 93.76 111.68 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -87.12 -18.57 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 87.72 112.392 165.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 mmt -80.51 97.0 6.95 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.426 1.09 . . . . 111.18 110.591 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.15 176.56 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.749 -0.834 . . . . 105.42 108.749 165.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.58 136.99 39.23 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.419 -0.896 . . . . 97.4 112.194 -172.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.95 -12.98 15.33 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.027 -0.874 . . . . 98.82 114.875 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.84 92.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.576 1.188 . . . . 73.16 111.846 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.87 -58.4 8.79 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 118.319 -1.352 . . . . 88.33 110.409 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.57 -40.38 18.98 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.881 0.697 . . . . 83.39 112.881 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.04 -38.72 56.86 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 117.437 -1.705 . . . . 67.98 111.176 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -58.94 -42.01 88.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.057 -0.657 . . . . 61.35 111.589 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.19 -41.9 80.18 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.642 -0.823 . . . . 109.46 110.545 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.56 84.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.137 0.494 . . . . 68.84 110.102 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 139' ' ' ILE . 13.0 t80 -58.16 -37.54 74.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.794 0.33 . . . . 68.89 111.197 -179.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.77 -35.31 54.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 120.509 -0.477 . . . . 83.2 110.696 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.19 -40.93 92.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.366 -1.397 . . . . 83.39 112.255 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -68.48 -45.92 71.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.575 -0.85 . . . . 80.51 111.205 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 135' ' ' PHE . 5.5 mt -54.5 -45.35 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 109.563 -0.532 . . . . 73.26 109.563 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' CYS . . . . . . . . . . . . . 48.1 m -72.42 -41.03 66.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 112.196 0.443 . . . . 88.12 112.196 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -54.63 -46.67 73.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.348 -0.941 . . . . 90.48 109.871 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.5 m -61.41 -45.04 96.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.197 -0.456 . . . . 91.56 111.866 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 94' ' ' ALA . 2.8 mm? -55.78 -62.57 1.61 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.631 -0.668 . . . . 100.12 111.328 176.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.89 93.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.157 -1.021 . . . . 110.96 112.147 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 148' ' ' LYS . 43.9 m-20 -56.0 -48.7 75.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.992 0.425 . . . . 102.91 110.968 176.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -55.73 -56.97 14.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.091 0.472 . . . . 109.62 111.49 174.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' MET . . . . . 0.623 ' HE1' ' H ' ' A' ' 104' ' ' ALA . 4.2 mtm -71.57 -1.43 13.48 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.016 1.117 . . . . 123.74 114.016 -166.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 145' ' ' ASP . 0.2 OUTLIER -78.01 -32.83 51.3 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 120.42 1.464 . . . . 137.3 111.421 168.195 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 148' ' ' LYS . . . -93.45 58.02 2.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 122.177 0.989 . . . . 129.41 110.214 178.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 mt -169.18 140.56 2.41 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.932 -1.031 . . . . 167.84 108.33 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.593 0.96 . . . . 160.75 113.593 176.246 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.167 0.432 . . . . 99.51 112.167 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.4 p -61.96 -23.44 66.38 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.902 0.704 . . . . 86.71 112.902 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.87 -0.47 44.87 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.414 -0.898 . . . . 87.95 114.901 -173.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.41 150.78 38.25 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 118.743 1.272 . . . . 87.16 109.893 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -85.25 171.66 11.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.991 -1.004 . . . . 103.61 110.515 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -58.44 13.92 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.936 -1.029 . . . . 93.81 112.262 172.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.95 -51.36 10.68 Favored 'Trans proline' 0 N--CA 1.478 0.577 0 N-CA-C 114.176 0.798 . . . . 96.3 114.176 172.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -57.54 -45.78 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.164 -0.614 . . . . 114.83 111.058 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -58.06 -39.8 79.42 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.224 -0.591 . . . . 97.2 110.66 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.8 67.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.845 -0.342 . . . . 89.54 111.582 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' B' ' 129' ' ' THR . . . -67.17 -35.71 80.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.319 -0.952 . . . . 91.92 111.788 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.7 -49.63 72.35 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.22 -0.592 . . . . 80.22 111.099 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.17 -35.13 71.11 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.159 -0.616 . . . . 98.37 110.796 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' SER . 18.4 t -70.28 -53.82 15.25 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.018 0.437 . . . . 94.81 111.637 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.4 p -62.43 -39.88 94.74 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.836 -0.746 . . . . 82.18 110.653 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -63.49 -26.76 68.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.221 -0.992 . . . . 68.85 110.988 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' SER . 1.0 OUTLIER -55.78 -39.95 71.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.768 -0.373 . . . . 72.19 110.785 173.246 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -60.47 -54.72 42.09 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.606 -0.438 . . . . 94.86 111.231 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.63 -47.47 58.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.939 -0.476 . . . . 66.65 111.651 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 83.4 mmm -66.5 -20.57 66.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.047 -0.661 . . . . 61.01 112.3 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.24 -15.16 56.21 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.453 0.538 . . . . 67.6 112.453 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -146.52 55.65 1.14 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.442 -1.318 . . . . 60.34 107.442 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.15 -52.63 60.53 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.732 -0.667 . . . . 65.95 112.286 -166.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . 0.432 ' O ' HG23 ' B' ' 28' ' ' THR . 42.2 t -68.59 -47.57 76.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.88 -0.728 . . . . 62.38 110.639 -172.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -55.97 -45.37 78.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.828 -0.749 . . . . 61.72 110.661 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -70.57 -37.11 73.92 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 117.975 -1.49 . . . . 71.39 110.789 -176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' HB1' ' B' ' 67' ' ' ALA . . . -56.44 -50.09 64.86 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.057 -1.068 . . . . 69.02 112.436 174.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 24' ' ' VAL . 42.9 p -70.34 -39.74 74.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 118.874 -1.131 . . . . 78.29 111.558 -175.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -55.43 -44.96 76.76 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.755 -0.778 . . . . 79.07 110.222 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -56.2 -43.02 78.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.115 -0.634 . . . . 69.38 110.533 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . 0.489 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 11.4 m-85 -65.04 -43.43 92.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.498 -0.481 . . . . 78.62 111.647 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -45.07 87.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.33 -0.548 . . . . 98.18 110.651 176.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.35 -34.7 77.16 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.586 -0.446 . . . . 96.7 111.287 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.76 -36.65 62.57 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.633 -0.427 . . . . 73.85 111.204 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -73.4 -40.86 63.97 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 77.46 111.526 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . . . -62.05 -42.06 98.78 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 118.748 -1.181 . . . . 71.93 110.538 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.93 56.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.559 -0.456 . . . . 80.7 112.202 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -130.15 80.68 70.35 Favored Pre-proline 0 C--O 1.24 0.561 0 N-CA-C 108.685 -0.858 . . . . 100.41 108.685 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.87 -28.67 31.98 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 N-CA-C 114.59 0.958 . . . . 83.28 114.59 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -37.59 70.71 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.691 0.678 . . . . 124.63 111.101 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -65.13 5.95 0.31 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 119.283 -0.967 . . . . 71.89 112.163 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.33 -17.37 26.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 117.398 -3.314 . . . . 96.4 112.592 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -63.0 -41.77 72.97 Favored Pre-proline 0 C--O 1.248 0.98 0 CA-C-O 117.716 -1.135 . . . . 107.5 113.301 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -59.89 -24.6 76.73 Favored 'Trans proline' 0 C--O 1.236 0.405 0 CA-C-N 122.161 1.807 . . . . 80.64 114.807 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -88.41 4.81 45.03 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.813 1.042 . . . . 71.87 113.813 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -64.37 -28.78 69.93 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 117.981 -1.488 . . . . 81.74 111.337 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -72.1 -44.04 63.83 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.108 -1.037 . . . . 91.46 111.173 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 tp -56.57 -48.03 78.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.99 -0.684 . . . . 75.58 110.853 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.02 25.39 6.77 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.136 0.974 . . . . 82.4 113.003 -168.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.05 -41.22 82.85 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.331 -0.548 . . . . 148.63 111.897 -165.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.81 33.98 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.65 -0.656 . . . . 123.54 112.264 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.85 124.92 71.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 107.877 -1.157 . . . . 91.22 107.877 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.0 p -91.09 156.03 18.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 102.59 109.75 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -55.63 -33.01 63.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.205 -0.907 . . . . 98.6 111.731 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.48 -10.83 55.28 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.266 0.469 . . . . 120.09 112.266 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.55 7.39 3.29 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.983 1.105 . . . . 123.57 113.983 -176.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptp -78.17 -44.02 27.01 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.572 -1.251 . . . . 89.81 111.588 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASP . 15.7 m -43.49 125.19 3.83 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 106.737 -1.579 . . . . 108.84 106.737 154.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' B' ' 58' ' ' THR . 70.6 m-20 89.29 -4.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.182 1.393 . . . . 120.0 111.616 170.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -87.47 136.14 33.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 125.631 1.572 . . . . 74.55 110.86 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . 0.5 ' HA ' ' HE3' ' B' ' 64' ' ' LYS . 78.3 Cg_exo -52.47 -39.42 74.28 Favored 'Trans proline' 0 C--O 1.239 0.558 0 O-C-N 123.446 1.235 . . . . 65.15 113.681 -176.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -58.44 -45.68 88.03 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.262 -1.375 . . . . 78.93 110.168 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 29.7 tpp -69.94 -35.59 74.63 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.512 -0.875 . . . . 78.8 111.193 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 61' ' ' PRO . 34.4 mtmt -63.65 -43.37 96.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.056 -0.658 . . . . 78.55 110.063 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.76 75.66 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.674 -0.411 . . . . 62.24 110.93 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -62.76 -39.0 92.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.43 -0.908 . . . . 60.58 110.768 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' HA3' ' B' ' 27' ' ' GLY . . . -67.94 -32.86 73.6 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 118.8 -1.16 . . . . 61.65 110.783 178.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.91 -50.32 69.18 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.0 0.429 . . . . 59.08 110.984 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -65.97 -31.67 54.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 118.964 -1.094 . . . . 77.97 110.781 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.12 -43.69 98.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.144 -0.622 . . . . 58.34 111.721 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.11 -43.09 93.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 119.526 -0.87 . . . . 60.81 111.884 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -57.48 -41.58 80.95 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.338 -0.945 . . . . 63.25 110.867 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.04 22.67 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.203 -0.522 . . . . 65.46 112.359 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 16.3 mmm -67.15 -38.49 85.58 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.308 -0.957 . . . . 84.54 111.099 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -60.62 -42.52 97.02 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 118.584 -1.246 . . . . 61.15 110.44 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . 0.493 ' HB2' HD13 ' B' ' 90' ' ' LEU . 53.0 p -54.98 -43.15 73.28 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.009 -0.676 . . . . 65.36 111.177 178.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PHE . . . . . 0.407 ' CE1' HD23 ' B' ' 91' ' ' LEU . 7.8 m-30 -64.08 -53.06 55.7 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.937 -0.705 . . . . 64.96 110.706 174.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.3 t -59.13 -45.36 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.211 0.529 . . . . 64.46 110.507 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -82.24 -4.1 56.44 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.583 0.957 . . . . 78.83 113.583 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -118.81 36.34 4.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.737 0.779 . . . . 74.2 110.975 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.94 -13.89 59.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.95 -0.469 . . . . 86.89 111.952 172.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.04 -18.0 41.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.358 0.527 . . . . 82.23 112.314 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -125.34 91.9 3.51 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.633 0.773 . . . . 99.98 109.265 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -71.13 -49.57 42.68 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.86 -0.609 . . . . 92.28 112.392 -160.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -66.72 -25.63 66.61 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 118.75 -1.18 . . . . 127.45 111.387 -175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 t -71.52 -46.17 64.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.51 0.672 . . . . 71.22 109.697 173.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 35.7 tp -50.91 -41.39 58.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.181 -0.463 . . . . 68.51 110.195 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.42 -47.25 87.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 120.996 0.427 . . . . 78.38 110.626 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.14 -31.59 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 119.243 -0.983 . . . . 91.57 110.736 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' B' ' 76' ' ' SER . 20.7 mt -59.06 -53.58 56.79 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.572 -1.251 . . . . 63.67 110.756 173.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE1' ' B' ' 77' ' ' PHE . 80.5 mt -54.32 -41.57 69.15 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.747 0.308 . . . . 66.39 110.943 177.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.38 -38.04 74.64 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.279 -0.968 . . . . 76.4 110.921 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -52.94 -47.77 67.81 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.042 -0.663 . . . . 87.72 110.774 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' MET . . . . . 0.485 ' SD ' ' NE2' ' B' ' 144' ' ' GLN . 9.2 ttt -64.81 -49.21 71.56 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.962 -0.295 . . . . 75.75 110.896 -176.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ALA . . . . . 0.739 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -53.05 -41.38 64.75 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.006 -0.278 . . . . 84.77 111.582 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -64.69 -44.15 91.25 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.14 -0.624 . . . . 89.05 110.59 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.19 -50.14 75.15 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.24 -0.584 . . . . 75.66 110.925 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HIS . . . . . 0.459 ' O ' ' HB ' ' B' ' 103' ' ' ILE . 54.8 m80 -78.42 33.4 0.2 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.685 1.194 . . . . 126.36 113.778 -177.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PHE . . . . . 0.504 ' CD2' ' HB3' ' B' ' 148' ' ' MET . 39.8 t80 -147.52 -44.45 0.17 Allowed 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 103.682 -2.71 . . . . 97.15 103.682 -175.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.91 -19.68 1.9 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.787 -1.097 . . . . 103.31 111.272 161.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . 0.478 ' NH2' ' O1A' ' A' ' 500' ' ' HEM . 63.9 mtt85 -98.23 6.52 47.35 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.668 0.988 . . . . 95.37 113.668 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 -15.9 52.65 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 118.744 -1.031 . . . . 88.3 115.299 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' B' ' 98' ' ' HIS . 4.3 mp -61.35 145.19 13.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.749 1.274 . . . . 78.77 109.183 173.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' B' ' 103' ' ' ILE . 14.9 mmt180 -130.33 178.71 6.38 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.58 -1.267 . . . . 98.73 107.58 172.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ILE . . . . . 0.497 HD13 ' CA ' ' B' ' 145' ' ' GLY . 2.9 tp -63.73 -30.9 51.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 119.64 -0.824 . . . . 92.61 111.744 -168.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . . . -49.34 -53.92 19.75 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.172 -0.611 . . . . 89.92 110.486 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' B' ' 103' ' ' ILE . 13.7 mp0 -67.07 -42.74 84.18 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.922 -0.711 . . . . 117.97 111.154 -177.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 108' ' ' LEU . 18.1 mt -56.41 -49.97 72.98 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.52 -0.472 . . . . 74.66 111.41 178.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -61.8 -39.72 92.73 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.362 -0.535 . . . . 112.97 111.442 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.72 -43.55 97.72 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.15 -0.62 . . . . 96.09 111.094 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.32 -48.15 85.38 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.214 -0.993 . . . . 70.76 111.993 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' B' ' 137' ' ' ILE . 52.7 m-85 -58.65 -41.02 85.1 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.384 -0.926 . . . . 81.91 110.434 177.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.08 -42.02 86.56 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.349 -0.929 . . . . 70.97 112.489 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.36 -44.17 90.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.089 -1.044 . . . . 66.8 110.103 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.94 -43.54 69.91 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.274 -0.57 . . . . 75.75 111.389 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 133' ' ' TRP . 35.3 tp -66.14 -43.7 86.28 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.37 -0.932 . . . . 84.46 111.383 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.96 -42.9 90.97 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.822 -1.151 . . . . 110.26 111.023 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -56.83 -48.63 77.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.275 -0.57 . . . . 75.5 111.376 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 125' ' ' VAL . 76.4 mt -57.09 -34.69 68.57 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.577 -0.449 . . . . 70.76 111.774 176.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -74.73 -35.8 62.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.887 -1.125 . . . . 96.96 111.861 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -83.68 -23.6 31.66 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.486 0.921 . . . . 108.02 113.486 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.72 -19.36 2.66 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.7 1.37 . . . . 108.05 114.7 -170.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.5 m -116.21 20.59 14.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 119.247 0.931 . . . . 87.11 111.777 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 57.38 20.65 6.1 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.196 0.998 . . . . 146.47 112.911 168.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' B' ' 119' ' ' LEU . 31.3 t -61.51 120.82 8.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.98 -0.748 . . . . 96.48 108.98 170.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -151.65 145.62 25.21 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.215 -0.661 . . . . 171.38 109.215 -163.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 42.93 -108.12 0.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 115.951 1.14 . . . . 111.37 115.951 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.0 t -64.76 -29.59 70.57 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.354 -0.539 . . . . 113.43 111.976 -172.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . 0.542 HG23 ' HB1' ' B' ' 11' ' ' ALA . 1.3 m -81.16 -26.51 35.99 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.295 0.48 . . . . 118.52 112.295 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 134' ' ' GLU . 8.7 tttt -62.46 -51.6 66.83 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.713 0.292 . . . . 117.56 111.073 173.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.7 -37.85 77.0 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.702 -0.399 . . . . 123.31 111.03 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.52 98.61 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.672 -0.411 . . . . 83.47 111.314 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' TRP . . . . . 0.459 ' HB3' HD13 ' B' ' 116' ' ' LEU . 52.7 m95 -63.29 -40.26 96.87 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.955 -0.698 . . . . 80.58 110.946 176.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 130' ' ' LYS . 91.5 mt-10 -55.89 -52.24 64.77 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.642 0.258 . . . . 113.56 111.56 177.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -64.55 -42.96 95.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.516 -0.474 . . . . 101.25 111.21 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' PHE . . . . . 0.545 ' CZ ' HD11 ' B' ' 140' ' ' ILE . 19.2 t80 -51.76 -52.15 50.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.981 0.42 . . . . 73.24 111.271 175.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' B' ' 112' ' ' TYR . 21.3 mt -62.62 -45.38 98.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.169 0.509 . . . . 70.95 110.882 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.36 57.78 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.334 -0.546 . . . . 83.43 111.308 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.92 -45.4 93.87 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.875 -0.73 . . . . 86.41 111.394 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' B' ' 136' ' ' PHE . 75.4 mt -51.94 -46.64 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.089 0.471 . . . . 75.65 111.334 177.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.29 -37.02 66.39 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.352 -0.939 . . . . 84.73 111.317 -176.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -54.5 -48.45 71.85 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.451 -0.5 . . . . 127.0 110.151 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -65.25 -59.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.085 0.469 . . . . 80.45 110.676 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLN . . . . . 0.739 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 36.6 mt-30 -59.67 -40.34 87.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.996 -0.682 . . . . 92.89 111.69 -179.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' GLY . . . . . 0.497 ' CA ' HD13 ' B' ' 105' ' ' ILE . . . -65.21 -46.27 88.17 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.186 -1.007 . . . . 91.55 113.193 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.56 -34.15 77.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 119.894 -0.723 . . . . 111.36 110.85 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.61 -47.13 86.85 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.052 -0.659 . . . . 102.49 110.989 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' MET . . . . . 0.504 ' HB3' ' CD2' ' B' ' 99' ' ' PHE . 4.8 mtm -75.38 -35.66 61.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.117 -0.633 . . . . 103.57 111.783 178.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' B' ' 152' ' ' LEU . 32.4 mtmt -57.39 -29.58 64.2 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.58 -0.848 . . . . 123.31 110.856 173.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.84 12.82 0.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.18 0.437 . . . . 160.46 112.18 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.38 83.07 1.31 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 122.642 1.21 . . . . 175.03 107.974 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 152' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 149' ' ' LYS . 15.8 mt . . . . . 0 CA--C 1.532 0.253 0 O-C-N 121.391 -0.818 . . . . 145.75 110.989 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' HEM . . . . . 0.693 HBB2 ' HHC' ' A' ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HEM . . . . . 0.66 ' HAB' ' CZ ' ' A' ' 111' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . 0.489 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.578 1.695 . . . . 83.06 115.578 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 p 68.4 1.46 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.377 1.471 . . . . 73.64 113.015 -177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.17 122.63 17.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.023 0.829 . . . . 67.88 110.512 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 69.9 p -66.27 167.32 10.51 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.281 -0.968 . . . . 68.0 110.274 173.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -53.62 -49.39 89.11 Favored Pre-proline 0 C--O 1.241 0.648 0 CA-C-N 115.368 -0.833 . . . . 74.76 111.487 170.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 51.2 Cg_exo -61.45 -39.57 54.85 Favored 'Trans proline' 0 C--O 1.238 0.52 0 CA-C-N 120.961 1.379 . . . . 70.89 113.951 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -62.44 -45.58 92.42 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.128 -1.029 . . . . 65.6 111.545 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -56.37 -44.52 80.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.185 -0.606 . . . . 63.83 109.996 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.82 95.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.317 -0.401 . . . . 64.03 111.169 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.71 95.69 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.556 -0.857 . . . . 62.5 111.166 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.02 -50.12 71.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.157 0.503 . . . . 58.88 110.254 173.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -57.14 -46.74 82.45 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.959 -0.696 . . . . 95.9 110.951 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -68.02 -41.99 81.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.827 -0.749 . . . . 83.38 111.636 -173.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -43.84 95.02 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.034 -0.666 . . . . 59.52 110.736 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -64.7 -32.51 74.21 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.858 -0.737 . . . . 63.88 110.909 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -64.93 -49.84 68.8 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.952 -0.299 . . . . 63.56 110.707 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -55.18 -49.01 72.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.746 0.308 . . . . 87.47 111.101 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.99 -46.14 52.34 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.851 0.357 . . . . 60.09 111.224 171.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.8 mmm -73.02 -15.55 61.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.325 0.861 . . . . 58.01 113.325 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.79 -26.9 58.79 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.981 0.81 . . . . 80.91 112.124 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -134.97 54.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.929 -1.138 . . . . 100.29 107.929 168.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.09 -31.28 80.16 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.521 -0.763 . . . . 70.79 113.755 -164.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.05 -36.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 118.012 -1.475 . . . . 85.57 110.429 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -62.7 -48.12 80.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.839 -1.145 . . . . 90.17 110.434 166.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -59.7 -39.57 85.03 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 91.32 111.474 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.1 -47.42 88.55 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.02 -1.086 . . . . 71.23 112.017 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.785 ' HG2' ' HG3' ' A' ' 62' ' ' MET . 53.1 mt-30 -54.52 -37.08 64.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.475 -0.49 . . . . 124.73 110.995 175.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 -31.22 57.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.621 -0.8 . . . . 82.34 113.272 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.44 -41.13 96.73 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.845 -0.742 . . . . 77.3 111.131 171.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -66.03 -39.79 90.48 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.961 -0.462 . . . . 95.35 112.11 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 72.4 mmm -60.97 -46.47 90.58 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.267 -0.973 . . . . 115.59 110.9 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.49 -49.62 64.37 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.25 -0.58 . . . . 101.51 110.598 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 113' ' ' ILE . 32.2 tp -66.9 -45.77 76.97 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.741 0.305 . . . . 87.4 111.374 -172.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -66.87 -35.21 79.51 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.175 -0.61 . . . . 96.22 111.254 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -71.12 -40.23 71.57 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.271 -0.572 . . . . 116.38 111.217 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.58 69.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.886 -0.726 . . . . 92.78 111.745 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 39' ' ' GLU . 38.5 m80 -139.06 81.53 21.26 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 108.611 -0.885 . . . . 103.36 108.611 -173.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -65.9 -20.26 58.1 Favored 'Trans proline' 0 CA--C 1.51 -0.696 0 N-CA-C 114.514 0.929 . . . . 120.01 114.514 -168.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 37' ' ' HIS . 11.4 pm0 -63.91 -19.52 65.16 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.406 -0.918 . . . . 134.68 111.694 177.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.8 p -62.66 -19.39 63.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.45 0.568 . . . . 109.98 112.014 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.03 -28.77 66.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.479 -0.488 . . . . 117.52 111.832 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 p -72.95 -36.31 3.32 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 119.408 -0.917 . . . . 104.27 111.983 -171.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.53 -22.87 45.06 Favored 'Trans proline' 0 CA--C 1.513 -0.537 0 CA-C-N 121.321 1.508 . . . . 79.97 112.453 165.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.21 9.31 41.4 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 112.183 0.438 . . . . 86.95 112.183 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -23.47 65.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.297 -1.361 . . . . 92.28 111.247 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -69.38 -41.47 76.44 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 121.01 -0.276 . . . . 84.38 111.168 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 ' O ' ' HE2' ' A' ' 61' ' ' LYS . 18.4 tp -83.87 -54.34 4.95 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.932 0.396 . . . . 105.03 111.795 178.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -98.66 -4.91 32.75 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 113.531 0.937 . . . . 86.7 113.531 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.33 -21.08 59.39 Favored Glycine 0 CA--C 1.506 -0.471 0 C-N-CA 119.865 -1.159 . . . . 103.16 114.228 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -16.35 77.18 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 119.053 -1.546 . . . . 88.72 113.882 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.2 152.03 21.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 117.643 0.722 . . . . 93.3 111.22 -174.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -85.85 177.29 7.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.958 0.885 . . . . 86.1 109.4 168.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.75 -48.47 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.583 -0.735 . . . . 101.61 110.711 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.93 93.57 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.547 -0.461 . . . . 96.59 111.583 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -63.26 -18.19 63.3 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.209 -0.596 . . . . 85.77 112.389 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 62' ' ' MET . 29.8 mt -71.3 -21.42 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.563 -0.855 . . . . 82.94 112.716 -174.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.68 128.13 34.66 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 118.852 0.751 . . . . 145.03 111.137 -175.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 60.43 22.01 11.63 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.506 1.122 . . . . 128.03 112.292 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -79.39 141.72 57.47 Favored Pre-proline 0 C--O 1.239 0.53 0 C-N-CA 123.762 0.825 . . . . 87.52 109.837 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.79 -46.02 26.07 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 N-CA-C 114.047 0.749 . . . . 77.34 114.047 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.802 ' HE2' ' O ' ' A' ' 47' ' ' LEU . 5.0 mtpt -70.14 -33.02 71.27 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.679 -0.808 . . . . 90.27 111.628 -176.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . 0.785 ' HG3' ' HG2' ' A' ' 27' ' ' GLN . 61.5 tpp -70.73 -39.6 73.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.018 -1.073 . . . . 85.43 110.54 176.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -60.85 -45.68 93.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.815 -0.754 . . . . 95.74 110.426 175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.39 92.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.593 -0.843 . . . . 64.05 111.538 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.59 -39.67 94.97 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.669 -0.812 . . . . 68.28 110.711 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -66.36 -35.08 79.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 119.885 -0.726 . . . . 70.23 110.273 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 90' ' ' LEU . 40.7 tp -67.34 -46.92 72.0 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.51 -0.476 . . . . 62.64 111.519 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 m -67.58 -31.59 53.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 118.353 -1.339 . . . . 67.12 110.525 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.69 -48.55 76.66 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.77 -0.581 . . . . 68.81 111.123 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.04 -43.06 99.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 118.514 -1.274 . . . . 71.57 111.134 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -56.51 -44.91 81.21 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.431 -0.508 . . . . 95.23 110.757 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.71 -53.92 39.66 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 119.749 -1.215 . . . . 63.78 112.123 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.7 tpp -58.01 -44.11 87.06 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.64 -0.424 . . . . 78.67 111.316 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -59.84 -34.14 72.7 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 118.683 -1.207 . . . . 70.95 111.947 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -64.6 -35.45 81.03 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 119.07 -1.052 . . . . 70.35 110.792 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -64.2 -55.36 22.25 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.44 0.638 . . . . 61.82 110.855 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.89 -33.36 49.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.167 -0.469 . . . . 55.42 111.046 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -73.35 -0.3 14.27 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 113.435 0.902 . . . . 76.42 113.435 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -132.61 29.73 4.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 119.578 1.081 . . . . 64.33 110.444 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.53 -26.83 67.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.622 -0.717 . . . . 61.86 111.782 174.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -105.04 9.8 34.26 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 113.654 0.983 . . . . 67.07 113.654 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -131.78 72.86 1.51 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.564 -1.273 . . . . 72.1 107.564 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -30.51 71.32 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.507 -0.77 . . . . 106.69 112.838 -173.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -53.84 -44.88 70.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.98 -0.688 . . . . 80.8 110.92 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mtp -75.21 -41.09 58.53 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.333 -0.547 . . . . 76.45 111.485 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.86 -44.71 74.25 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.324 -0.55 . . . . 62.31 110.192 -176.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.29 -36.77 78.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.297 -0.41 . . . . 68.36 110.979 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.57 -50.02 77.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 118.684 -1.206 . . . . 66.1 109.891 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.7 mt -51.94 -46.05 64.58 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.244 -0.434 . . . . 56.55 111.457 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.07 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 119.75 -0.78 . . . . 68.07 109.934 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -70.35 -39.64 74.54 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.466 -0.334 . . . . 73.91 111.4 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -48.71 -47.87 40.76 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.565 -0.854 . . . . 79.85 109.538 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.88 -43.9 91.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.728 -0.389 . . . . 89.47 111.64 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB2' HD13 ' A' ' 143' ' ' LEU . . . -59.23 -39.84 84.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.328 -0.549 . . . . 71.74 111.183 -177.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -59.74 -52.48 65.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.689 0.281 . . . . 96.31 111.198 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.22 -39.39 82.53 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.448 -0.901 . . . . 75.61 111.023 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -75.41 -41.03 57.09 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 119.556 -0.858 . . . . 89.31 112.028 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -57.71 -25.71 60.73 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.312 -0.555 . . . . 99.33 111.136 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -70.29 -15.22 62.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.404 0.52 . . . . 116.61 112.404 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.702 ' HB2' HD12 ' A' ' 102' ' ' ILE . 7.2 mtt85 -111.66 24.96 12.13 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.867 0.691 . . . . 110.33 112.867 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.65 1.4 45.37 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 115.988 1.155 . . . . 110.1 115.988 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.702 HD12 ' HB2' ' A' ' 100' ' ' ARG . 3.4 mp -79.85 142.27 14.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 119.08 1.44 . . . . 116.32 108.679 173.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.75 -177.58 4.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.522 0.677 . . . . 183.34 109.735 172.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.623 ' H ' ' HE1' ' A' ' 147' ' ' MET . . . -68.62 -5.48 20.26 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.951 1.093 . . . . 132.74 113.951 -163.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 p -92.31 -34.54 14.17 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.867 1.212 . . . . 123.14 111.965 169.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' ILE . 67.1 m-20 -59.58 -48.74 80.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.317 -0.553 . . . . 113.62 110.578 170.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.42 -37.2 84.68 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.638 -0.425 . . . . 114.81 111.47 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -64.29 -43.01 96.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.17 -1.012 . . . . 131.68 111.256 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -65.11 -30.04 70.94 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.189 -1.004 . . . . 117.99 111.038 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.55 82.48 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.498 -0.481 . . . . 85.28 110.928 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.66 ' CZ ' ' HAB' ' B' ' 500' ' ' HEM . 33.5 m-85 -57.06 -42.05 79.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.592 -0.443 . . . . 100.16 111.388 -179.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.02 -24.66 67.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.147 -0.621 . . . . 129.61 111.6 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 33' ' ' LEU . 7.5 mt -84.19 -32.85 8.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.167 -0.613 . . . . 104.43 110.599 179.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.31 -36.03 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.061 -0.655 . . . . 78.41 111.046 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.57 -52.42 51.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 120.239 -0.585 . . . . 75.07 110.328 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -56.15 -43.33 78.18 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.637 -0.825 . . . . 109.1 110.77 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -56.88 -42.35 79.68 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 119.315 -0.954 . . . . 78.45 110.787 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.0 mtp -70.87 -39.2 73.0 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.43 -0.508 . . . . 84.45 111.606 -174.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.54 -47.64 72.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.086 -1.046 . . . . 121.45 110.055 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.54 -24.33 46.08 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.775 0.287 . . . . 137.94 111.775 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -106.75 15.85 25.12 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.732 -0.605 . . . . 93.03 112.236 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.4 m120 53.75 42.76 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.067 0.947 . . . . 93.76 111.68 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -87.12 -18.57 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 87.72 112.392 165.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 mmt -80.51 97.0 6.95 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.426 1.09 . . . . 111.18 110.591 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.15 176.56 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.749 -0.834 . . . . 105.42 108.749 165.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.58 136.99 39.23 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.419 -0.896 . . . . 97.4 112.194 -172.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.95 -12.98 15.33 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.027 -0.874 . . . . 98.82 114.875 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.84 92.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.576 1.188 . . . . 73.16 111.846 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.87 -58.4 8.79 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 118.319 -1.352 . . . . 88.33 110.409 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.57 -40.38 18.98 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.881 0.697 . . . . 83.39 112.881 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.04 -38.72 56.86 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 117.437 -1.705 . . . . 67.98 111.176 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -58.94 -42.01 88.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.057 -0.657 . . . . 61.35 111.589 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.19 -41.9 80.18 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.642 -0.823 . . . . 109.46 110.545 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.56 84.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.137 0.494 . . . . 68.84 110.102 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 139' ' ' ILE . 13.0 t80 -58.16 -37.54 74.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.794 0.33 . . . . 68.89 111.197 -179.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.77 -35.31 54.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 120.509 -0.477 . . . . 83.2 110.696 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.19 -40.93 92.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.366 -1.397 . . . . 83.39 112.255 171.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -68.48 -45.92 71.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.575 -0.85 . . . . 80.51 111.205 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 135' ' ' PHE . 5.5 mt -54.5 -45.35 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 109.563 -0.532 . . . . 73.26 109.563 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' CYS . . . . . . . . . . . . . 48.1 m -72.42 -41.03 66.68 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 112.196 0.443 . . . . 88.12 112.196 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -54.63 -46.67 73.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.348 -0.941 . . . . 90.48 109.871 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.5 m -61.41 -45.04 96.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.197 -0.456 . . . . 91.56 111.866 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 94' ' ' ALA . 2.8 mm? -55.78 -62.57 1.61 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.631 -0.668 . . . . 100.12 111.328 176.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.89 93.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.157 -1.021 . . . . 110.96 112.147 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 148' ' ' LYS . 43.9 m-20 -56.0 -48.7 75.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.992 0.425 . . . . 102.91 110.968 176.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -55.73 -56.97 14.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.091 0.472 . . . . 109.62 111.49 174.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' MET . . . . . 0.623 ' HE1' ' H ' ' A' ' 104' ' ' ALA . 4.2 mtm -71.57 -1.43 13.48 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.016 1.117 . . . . 123.74 114.016 -166.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 145' ' ' ASP . 0.2 OUTLIER -78.01 -32.83 51.3 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 120.42 1.464 . . . . 137.3 111.421 168.195 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 148' ' ' LYS . . . -93.45 58.02 2.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 122.177 0.989 . . . . 129.41 110.214 178.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 mt -169.18 140.56 2.41 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.932 -1.031 . . . . 167.84 108.33 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.593 0.96 . . . . 160.75 113.593 176.246 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.167 0.432 . . . . 99.51 112.167 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.4 p -61.96 -23.44 66.38 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.902 0.704 . . . . 86.71 112.902 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.87 -0.47 44.87 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.414 -0.898 . . . . 87.95 114.901 -173.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.41 150.78 38.25 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 118.743 1.272 . . . . 87.16 109.893 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -85.25 171.66 11.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.991 -1.004 . . . . 103.61 110.515 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -58.44 13.92 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.936 -1.029 . . . . 93.81 112.262 172.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.95 -51.36 10.68 Favored 'Trans proline' 0 N--CA 1.478 0.577 0 N-CA-C 114.176 0.798 . . . . 96.3 114.176 172.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -57.54 -45.78 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.164 -0.614 . . . . 114.83 111.058 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -58.06 -39.8 79.42 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.224 -0.591 . . . . 97.2 110.66 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.8 67.52 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.845 -0.342 . . . . 89.54 111.582 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' B' ' 129' ' ' THR . . . -67.17 -35.71 80.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.319 -0.952 . . . . 91.92 111.788 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.7 -49.63 72.35 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.22 -0.592 . . . . 80.22 111.099 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.17 -35.13 71.11 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.159 -0.616 . . . . 98.37 110.796 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' SER . 18.4 t -70.28 -53.82 15.25 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.018 0.437 . . . . 94.81 111.637 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.4 p -62.43 -39.88 94.74 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.836 -0.746 . . . . 82.18 110.653 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -63.49 -26.76 68.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.221 -0.992 . . . . 68.85 110.988 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' SER . 1.0 OUTLIER -55.78 -39.95 71.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.768 -0.373 . . . . 72.19 110.785 173.246 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -60.47 -54.72 42.09 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.606 -0.438 . . . . 94.86 111.231 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.63 -47.47 58.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.939 -0.476 . . . . 66.65 111.651 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 83.4 mmm -66.5 -20.57 66.07 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.047 -0.661 . . . . 61.01 112.3 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.24 -15.16 56.21 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.453 0.538 . . . . 67.6 112.453 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -146.52 55.65 1.14 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.442 -1.318 . . . . 60.34 107.442 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.15 -52.63 60.53 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.732 -0.667 . . . . 65.95 112.286 -166.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.432 ' O ' HG23 ' B' ' 28' ' ' THR . 42.2 t -68.59 -47.57 76.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.88 -0.728 . . . . 62.38 110.639 -172.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -55.97 -45.37 78.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.828 -0.749 . . . . 61.72 110.661 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -70.57 -37.11 73.92 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 117.975 -1.49 . . . . 71.39 110.789 -176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' HB1' ' B' ' 67' ' ' ALA . . . -56.44 -50.09 64.86 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.057 -1.068 . . . . 69.02 112.436 174.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 24' ' ' VAL . 42.9 p -70.34 -39.74 74.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 118.874 -1.131 . . . . 78.29 111.558 -175.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -55.43 -44.96 76.76 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.755 -0.778 . . . . 79.07 110.222 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -56.2 -43.02 78.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.115 -0.634 . . . . 69.38 110.533 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.489 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 11.4 m-85 -65.04 -43.43 92.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.498 -0.481 . . . . 78.62 111.647 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -45.07 87.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.33 -0.548 . . . . 98.18 110.651 176.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.35 -34.7 77.16 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.586 -0.446 . . . . 96.7 111.287 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.76 -36.65 62.57 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.633 -0.427 . . . . 73.85 111.204 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -73.4 -40.86 63.97 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 77.46 111.526 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . . . -62.05 -42.06 98.78 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 118.748 -1.181 . . . . 71.93 110.538 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.93 56.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.559 -0.456 . . . . 80.7 112.202 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -130.15 80.68 70.35 Favored Pre-proline 0 C--O 1.24 0.561 0 N-CA-C 108.685 -0.858 . . . . 100.41 108.685 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.87 -28.67 31.98 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 N-CA-C 114.59 0.958 . . . . 83.28 114.59 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -37.59 70.71 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.691 0.678 . . . . 124.63 111.101 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -65.13 5.95 0.31 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 119.283 -0.967 . . . . 71.89 112.163 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.33 -17.37 26.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 117.398 -3.314 . . . . 96.4 112.592 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -63.0 -41.77 72.97 Favored Pre-proline 0 C--O 1.248 0.98 0 CA-C-O 117.716 -1.135 . . . . 107.5 113.301 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -59.89 -24.6 76.73 Favored 'Trans proline' 0 C--O 1.236 0.405 0 CA-C-N 122.161 1.807 . . . . 80.64 114.807 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -88.41 4.81 45.03 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.813 1.042 . . . . 71.87 113.813 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -64.37 -28.78 69.93 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 117.981 -1.488 . . . . 81.74 111.337 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -72.1 -44.04 63.83 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.108 -1.037 . . . . 91.46 111.173 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 tp -56.57 -48.03 78.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.99 -0.684 . . . . 75.58 110.853 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.02 25.39 6.77 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.136 0.974 . . . . 82.4 113.003 -168.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.05 -41.22 82.85 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.331 -0.548 . . . . 148.63 111.897 -165.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.81 33.98 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.65 -0.656 . . . . 123.54 112.264 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.85 124.92 71.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 107.877 -1.157 . . . . 91.22 107.877 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.0 p -91.09 156.03 18.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 102.59 109.75 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -55.63 -33.01 63.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.205 -0.907 . . . . 98.6 111.731 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.48 -10.83 55.28 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.266 0.469 . . . . 120.09 112.266 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.55 7.39 3.29 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.983 1.105 . . . . 123.57 113.983 -176.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptp -78.17 -44.02 27.01 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.572 -1.251 . . . . 89.81 111.588 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASP . 15.7 m -43.49 125.19 3.83 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 106.737 -1.579 . . . . 108.84 106.737 154.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' B' ' 58' ' ' THR . 70.6 m-20 89.29 -4.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.182 1.393 . . . . 120.0 111.616 170.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -87.47 136.14 33.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 125.631 1.572 . . . . 74.55 110.86 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.5 ' HA ' ' HE3' ' B' ' 64' ' ' LYS . 78.3 Cg_exo -52.47 -39.42 74.28 Favored 'Trans proline' 0 C--O 1.239 0.558 0 O-C-N 123.446 1.235 . . . . 65.15 113.681 -176.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -58.44 -45.68 88.03 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.262 -1.375 . . . . 78.93 110.168 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 29.7 tpp -69.94 -35.59 74.63 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.512 -0.875 . . . . 78.8 111.193 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 61' ' ' PRO . 34.4 mtmt -63.65 -43.37 96.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.056 -0.658 . . . . 78.55 110.063 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.76 75.66 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.674 -0.411 . . . . 62.24 110.93 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -62.76 -39.0 92.8 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.43 -0.908 . . . . 60.58 110.768 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.42 ' HB1' ' HA3' ' B' ' 27' ' ' GLY . . . -67.94 -32.86 73.6 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 118.8 -1.16 . . . . 61.65 110.783 178.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.91 -50.32 69.18 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.0 0.429 . . . . 59.08 110.984 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -65.97 -31.67 54.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 118.964 -1.094 . . . . 77.97 110.781 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.12 -43.69 98.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.144 -0.622 . . . . 58.34 111.721 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.11 -43.09 93.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 119.526 -0.87 . . . . 60.81 111.884 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -57.48 -41.58 80.95 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.338 -0.945 . . . . 63.25 110.867 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.04 22.67 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.203 -0.522 . . . . 65.46 112.359 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 16.3 mmm -67.15 -38.49 85.58 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.308 -0.957 . . . . 84.54 111.099 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -60.62 -42.52 97.02 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 118.584 -1.246 . . . . 61.15 110.44 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . 0.493 ' HB2' HD13 ' B' ' 90' ' ' LEU . 53.0 p -54.98 -43.15 73.28 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.009 -0.676 . . . . 65.36 111.177 178.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.407 ' CE1' HD23 ' B' ' 91' ' ' LEU . 7.8 m-30 -64.08 -53.06 55.7 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.937 -0.705 . . . . 64.96 110.706 174.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.3 t -59.13 -45.36 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.211 0.529 . . . . 64.46 110.507 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -82.24 -4.1 56.44 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.583 0.957 . . . . 78.83 113.583 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -118.81 36.34 4.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.737 0.779 . . . . 74.2 110.975 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.94 -13.89 59.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.95 -0.469 . . . . 86.89 111.952 172.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.04 -18.0 41.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.358 0.527 . . . . 82.23 112.314 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -125.34 91.9 3.51 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.633 0.773 . . . . 99.98 109.265 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -71.13 -49.57 42.68 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.86 -0.609 . . . . 92.28 112.392 -160.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -66.72 -25.63 66.61 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 118.75 -1.18 . . . . 127.45 111.387 -175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 t -71.52 -46.17 64.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.51 0.672 . . . . 71.22 109.697 173.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 35.7 tp -50.91 -41.39 58.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.181 -0.463 . . . . 68.51 110.195 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.42 -47.25 87.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 120.996 0.427 . . . . 78.38 110.626 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.14 -31.59 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 119.243 -0.983 . . . . 91.57 110.736 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' B' ' 76' ' ' SER . 20.7 mt -59.06 -53.58 56.79 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.572 -1.251 . . . . 63.67 110.756 173.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE1' ' B' ' 77' ' ' PHE . 80.5 mt -54.32 -41.57 69.15 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.747 0.308 . . . . 66.39 110.943 177.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.38 -38.04 74.64 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.279 -0.968 . . . . 76.4 110.921 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -52.94 -47.77 67.81 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.042 -0.663 . . . . 87.72 110.774 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' MET . . . . . 0.485 ' SD ' ' NE2' ' B' ' 144' ' ' GLN . 9.2 ttt -64.81 -49.21 71.56 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.962 -0.295 . . . . 75.75 110.896 -176.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.739 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -53.05 -41.38 64.75 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.006 -0.278 . . . . 84.77 111.582 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -64.69 -44.15 91.25 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.14 -0.624 . . . . 89.05 110.59 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.19 -50.14 75.15 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.24 -0.584 . . . . 75.66 110.925 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.459 ' O ' ' HB ' ' B' ' 103' ' ' ILE . 54.8 m80 -78.42 33.4 0.2 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.685 1.194 . . . . 126.36 113.778 -177.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.504 ' CD2' ' HB3' ' B' ' 148' ' ' MET . 39.8 t80 -147.52 -44.45 0.17 Allowed 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 103.682 -2.71 . . . . 97.15 103.682 -175.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.91 -19.68 1.9 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.787 -1.097 . . . . 103.31 111.272 161.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.478 ' NH2' ' O1A' ' A' ' 500' ' ' HEM . 63.9 mtt85 -98.23 6.52 47.35 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.668 0.988 . . . . 95.37 113.668 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.65 -15.9 52.65 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 118.744 -1.031 . . . . 88.3 115.299 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' B' ' 98' ' ' HIS . 4.3 mp -61.35 145.19 13.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.749 1.274 . . . . 78.77 109.183 173.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' B' ' 103' ' ' ILE . 14.9 mmt180 -130.33 178.71 6.38 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.58 -1.267 . . . . 98.73 107.58 172.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.497 HD13 ' CA ' ' B' ' 145' ' ' GLY . 2.9 tp -63.73 -30.9 51.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 119.64 -0.824 . . . . 92.61 111.744 -168.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . . . -49.34 -53.92 19.75 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.172 -0.611 . . . . 89.92 110.486 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' B' ' 103' ' ' ILE . 13.7 mp0 -67.07 -42.74 84.18 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.922 -0.711 . . . . 117.97 111.154 -177.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 108' ' ' LEU . 18.1 mt -56.41 -49.97 72.98 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.52 -0.472 . . . . 74.66 111.41 178.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -61.8 -39.72 92.73 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.362 -0.535 . . . . 112.97 111.442 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.72 -43.55 97.72 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.15 -0.62 . . . . 96.09 111.094 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.32 -48.15 85.38 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.214 -0.993 . . . . 70.76 111.993 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' B' ' 137' ' ' ILE . 52.7 m-85 -58.65 -41.02 85.1 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.384 -0.926 . . . . 81.91 110.434 177.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.08 -42.02 86.56 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.349 -0.929 . . . . 70.97 112.489 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.36 -44.17 90.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.089 -1.044 . . . . 66.8 110.103 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.94 -43.54 69.91 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.274 -0.57 . . . . 75.75 111.389 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 133' ' ' TRP . 35.3 tp -66.14 -43.7 86.28 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.37 -0.932 . . . . 84.46 111.383 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.96 -42.9 90.97 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.822 -1.151 . . . . 110.26 111.023 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -56.83 -48.63 77.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.275 -0.57 . . . . 75.5 111.376 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 125' ' ' VAL . 76.4 mt -57.09 -34.69 68.57 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.577 -0.449 . . . . 70.76 111.774 176.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -74.73 -35.8 62.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.887 -1.125 . . . . 96.96 111.861 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -83.68 -23.6 31.66 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.486 0.921 . . . . 108.02 113.486 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.72 -19.36 2.66 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.7 1.37 . . . . 108.05 114.7 -170.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.5 m -116.21 20.59 14.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 119.247 0.931 . . . . 87.11 111.777 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 57.38 20.65 6.1 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.196 0.998 . . . . 146.47 112.911 168.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' B' ' 119' ' ' LEU . 31.3 t -61.51 120.82 8.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.98 -0.748 . . . . 96.48 108.98 170.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -151.65 145.62 25.21 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.215 -0.661 . . . . 171.38 109.215 -163.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 42.93 -108.12 0.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 115.951 1.14 . . . . 111.37 115.951 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.0 t -64.76 -29.59 70.57 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.354 -0.539 . . . . 113.43 111.976 -172.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . 0.542 HG23 ' HB1' ' B' ' 11' ' ' ALA . 1.3 m -81.16 -26.51 35.99 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.295 0.48 . . . . 118.52 112.295 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 134' ' ' GLU . 8.7 tttt -62.46 -51.6 66.83 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.713 0.292 . . . . 117.56 111.073 173.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.7 -37.85 77.0 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.702 -0.399 . . . . 123.31 111.03 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.52 98.61 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.672 -0.411 . . . . 83.47 111.314 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' TRP . . . . . 0.459 ' HB3' HD13 ' B' ' 116' ' ' LEU . 52.7 m95 -63.29 -40.26 96.87 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.955 -0.698 . . . . 80.58 110.946 176.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 130' ' ' LYS . 91.5 mt-10 -55.89 -52.24 64.77 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.642 0.258 . . . . 113.56 111.56 177.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -64.55 -42.96 95.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.516 -0.474 . . . . 101.25 111.21 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.545 ' CZ ' HD11 ' B' ' 140' ' ' ILE . 19.2 t80 -51.76 -52.15 50.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.981 0.42 . . . . 73.24 111.271 175.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' B' ' 112' ' ' TYR . 21.3 mt -62.62 -45.38 98.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.169 0.509 . . . . 70.95 110.882 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.36 57.78 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.334 -0.546 . . . . 83.43 111.308 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.92 -45.4 93.87 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.875 -0.73 . . . . 86.41 111.394 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' B' ' 136' ' ' PHE . 75.4 mt -51.94 -46.64 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.089 0.471 . . . . 75.65 111.334 177.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.29 -37.02 66.39 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.352 -0.939 . . . . 84.73 111.317 -176.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -54.5 -48.45 71.85 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.451 -0.5 . . . . 127.0 110.151 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -65.25 -59.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.085 0.469 . . . . 80.45 110.676 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.739 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 36.6 mt-30 -59.67 -40.34 87.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.996 -0.682 . . . . 92.89 111.69 -179.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.497 ' CA ' HD13 ' B' ' 105' ' ' ILE . . . -65.21 -46.27 88.17 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.186 -1.007 . . . . 91.55 113.193 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.56 -34.15 77.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 119.894 -0.723 . . . . 111.36 110.85 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.61 -47.13 86.85 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.052 -0.659 . . . . 102.49 110.989 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' MET . . . . . 0.504 ' HB3' ' CD2' ' B' ' 99' ' ' PHE . 4.8 mtm -75.38 -35.66 61.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.117 -0.633 . . . . 103.57 111.783 178.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' B' ' 152' ' ' LEU . 32.4 mtmt -57.39 -29.58 64.2 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.58 -0.848 . . . . 123.31 110.856 173.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.84 12.82 0.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.18 0.437 . . . . 160.46 112.18 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.38 83.07 1.31 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 122.642 1.21 . . . . 175.03 107.974 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 149' ' ' LYS . 15.8 mt . . . . . 0 CA--C 1.532 0.253 0 O-C-N 121.391 -0.818 . . . . 145.75 110.989 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' HEM . . . . . 0.693 HBB2 ' HHC' ' A' ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HEM . . . . . 0.66 ' HAB' ' CZ ' ' A' ' 111' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . 0.489 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_