data_5z8r_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 5z8r _Structure_validation_residue.Date_analyzed 2019-02-01 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 ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.486 -0.19 . . . . 93.11 110.486 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mmm -148.74 125.56 11.2 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.982 -0.377 . . . . 95.93 109.982 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -74.82 150.37 86.18 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 30.29 110.069 162.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.53 171.35 16.93 Favored 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 120.232 0.622 . . . . 33.47 110.91 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.13 138.0 82.58 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 120.695 0.93 . . . . 34.75 109.955 166.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -71.41 164.11 36.8 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 120.693 0.928 . . . . 36.81 110.75 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.88 147.43 81.47 Favored 'Trans proline' 0 C--N 1.335 -0.179 0 CA-C-O 121.652 0.605 . . . . 29.5 111.68 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -66.68 146.25 54.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.648 . . . . 34.32 110.648 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -116.35 -7.92 11.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.294 0.85 . . . . 31.22 113.294 171.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 150.92 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.901 -0.777 . . . . 46.55 108.901 173.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -167.58 95.71 0.64 Allowed Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.212 -0.904 . . . . 41.78 109.05 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.69 -31.26 86.22 Favored 'Trans proline' 0 C--O 1.242 0.704 0 N-CA-C 114.157 0.791 . . . . 36.39 114.157 -173.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.29 10.16 11.19 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.014 0.825 . . . . 48.08 113.043 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 118' ' ' TYR . 45.3 tttm -89.96 137.43 28.19 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 118.719 -1.192 . . . . 42.96 110.201 175.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.33 134.61 23.08 Favored 'Trans proline' 0 C--O 1.235 0.333 0 N-CA-C 109.819 -0.877 . . . . 37.57 109.819 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -124.57 151.12 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 52.29 109.754 -173.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -142.39 143.01 32.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 38.86 110.154 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -100.76 92.42 5.07 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.275 -1.38 . . . . 53.12 107.275 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . 0.877 ' O ' ' NE2' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -98.31 148.62 23.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.139 1.375 . . . . 42.91 110.095 -171.422 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -56.91 -40.83 77.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.11 -0.636 . . . . 49.75 111.05 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . 0.708 ' OE1' ' O ' ' A' ' 303' ' ' HOH . 5.0 mp0 -68.05 -34.99 77.5 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.695 -0.23 . . . . 62.35 111.127 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -72.52 -37.84 68.23 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.831 -0.747 . . . . 30.82 110.98 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . 0.877 ' NE2' ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -60.92 -43.8 98.09 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.904 -1.118 . . . . 79.65 110.778 172.989 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -56.4 -47.88 78.07 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.984 0.421 . . . . 40.24 111.009 175.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.8 -32.47 67.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.14 -0.624 . . . . 31.78 111.738 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.4 tp -83.59 -54.51 4.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.786 -1.166 . . . . 35.7 110.983 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.7 ttp-105 -60.87 -39.7 90.22 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.113 0.412 . . . . 68.38 112.113 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -108.66 -58.23 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.914 -0.491 . . . . 44.59 111.728 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.2 t -72.76 -56.85 8.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.157 -0.617 . . . . 33.19 110.665 -169.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.49 -42.72 98.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.666 -1.214 . . . . 37.7 111.384 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -73.1 -24.52 60.65 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.998 -0.681 . . . . 45.95 111.845 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 m -73.84 -49.54 24.63 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.616 -0.434 . . . . 44.95 110.923 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.83 -37.84 74.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.07 -0.652 . . . . 44.37 111.017 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -59.92 -30.28 68.94 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.891 0.33 . . . . 33.75 111.891 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -88.03 -5.94 58.23 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.452 0.908 . . . . 59.01 113.452 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -67.19 148.74 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.314 0.578 . . . . 36.59 110.251 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -65.32 -17.0 64.17 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.597 0.592 . . . . 44.51 112.597 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -102.63 6.28 39.59 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.282 0.845 . . . . 48.6 113.282 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.36 -20.87 46.69 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.001 1.111 . . . . 37.01 114.001 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -61.59 -37.3 39.54 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 114.549 1.315 . . . . 36.0 114.549 -167.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -64.75 -17.2 58.78 Favored 'Trans proline' 0 C--O 1.243 0.74 0 CA-C-N 121.879 1.707 . . . . 29.09 113.529 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -104.74 8.88 35.14 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.457 0.54 . . . . 29.27 112.457 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.56 3.17 51.31 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.497 0.925 . . . . 39.77 113.497 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -159.58 162.58 24.98 Favored Pre-proline 0 C--O 1.24 0.556 0 N-CA-C 108.45 -0.945 . . . . 32.7 108.45 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.99 146.84 78.1 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.189 0.593 . . . . 28.82 111.093 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.75 123.58 14.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 109.229 -0.656 . . . . 26.73 109.229 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -92.29 91.75 7.85 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.274 -1.75 . . . . 35.08 106.274 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -22.9 66.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.594 -0.842 . . . . 31.46 111.209 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.1 t -72.45 -55.76 12.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.88 0.371 . . . . 36.64 110.514 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -56.14 -50.64 70.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.111 0.481 . . . . 38.72 111.062 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.68 -1.92 18.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.91 0.708 . . . . 35.94 112.91 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . 0.857 ' ND2' ' O ' ' A' ' 302' ' ' HOH . 26.6 m120 43.67 58.71 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.569 1.176 . . . . 52.85 111.039 -173.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.57 63.83 10.71 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-N 114.245 -1.343 . . . . 37.73 107.729 172.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.95 -19.1 64.73 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 113.703 0.616 . . . . 35.42 113.703 -169.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.78 3.41 55.19 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 113.323 0.86 . . . . 35.06 113.323 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -61.03 -54.0 50.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.717 -0.793 . . . . 30.25 110.968 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -82.08 0.74 39.18 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.072 -0.651 . . . . 30.2 112.714 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -74.13 -28.2 61.22 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.998 -0.681 . . . . 44.1 110.642 163.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.8 mt -103.07 -42.17 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.264 0.626 . . . . 34.43 111.579 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 32.5 mm -95.74 110.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.241 -1.022 . . . . 29.41 108.241 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -103.61 -13.48 16.51 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.047 1.129 . . . . 34.85 114.047 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.1 p -124.05 71.83 53.78 Favored Pre-proline 0 C--O 1.238 0.493 0 CA-C-N 118.911 0.778 . . . . 39.41 109.246 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -64.12 151.35 85.69 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 120.256 0.637 . . . . 27.22 111.559 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 tpp -155.17 153.45 30.76 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.034 -1.098 . . . . 27.39 108.034 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -156.76 162.44 39.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.835 -0.802 . . . . 28.76 108.835 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 33.3 mtm -71.81 -23.99 61.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.144 -0.935 . . . . 34.45 112.639 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.56 -40.86 77.71 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.359 -1.401 . . . . 29.11 112.035 173.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 m -61.27 -43.84 98.22 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.238 -0.566 . . . . 26.37 110.978 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.83 -38.78 83.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.873 0.368 . . . . 29.46 110.843 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.48 -44.01 95.64 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.61 -0.836 . . . . 59.56 111.17 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -62.77 -42.09 99.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.669 -0.412 . . . . 60.32 110.987 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.76 -39.93 93.35 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.978 -0.689 . . . . 31.95 110.877 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -67.24 -47.73 69.88 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.678 0.275 . . . . 40.09 111.571 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -69.61 -21.27 63.59 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.983 0.734 . . . . 58.22 112.983 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -100.22 13.17 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.337 0.517 . . . . 58.1 112.233 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.0 t30 50.38 63.32 2.26 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 122.321 1.057 . . . . 56.06 111.178 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 39.1 t80 -94.33 -21.02 19.25 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.728 -1.123 . . . . 40.03 113.073 -175.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.88 151.85 19.04 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.557 0.694 . . . . 29.05 111.899 -173.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -86.82 -35.41 19.1 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.067 -0.97 . . . . 35.29 112.003 169.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.76 169.26 23.21 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.051 0.929 . . . . 29.8 110.092 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.65 76.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.793 -1.094 . . . . 27.83 112.34 -174.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -63.39 -31.04 72.09 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.87 -0.732 . . . . 42.46 111.792 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.52 -41.23 96.52 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.009 -0.676 . . . . 45.12 111.161 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.27 -39.34 71.63 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.587 0.232 . . . . 30.0 111.346 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.02 -34.81 65.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 120.81 0.338 . . . . 32.07 110.572 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.94 -32.35 70.58 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 122.049 -0.407 . . . . 60.77 111.425 -178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.48 -39.23 91.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.427 -0.909 . . . . 25.29 111.373 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.19 -48.41 81.71 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.879 -0.728 . . . . 28.75 110.55 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.75 -37.73 82.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.506 -0.478 . . . . 50.04 111.794 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.1 m -61.86 -45.8 92.21 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.089 0.471 . . . . 27.84 110.982 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.35 -48.02 80.09 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.774 0.321 . . . . 25.71 111.696 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.0 -43.5 87.56 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.971 -0.692 . . . . 29.73 110.898 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 m -62.92 -40.55 97.95 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.677 -0.238 . . . . 38.54 111.44 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -57.36 -45.68 84.13 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.402 -0.519 . . . . 33.47 110.882 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.2 -41.63 98.54 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.57 -0.286 . . . . 36.26 111.107 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -70.16 -27.87 64.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.701 0.26 . . . . 39.06 111.701 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 55.9 mt -72.14 -55.38 13.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.856 -0.738 . . . . 31.7 110.327 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.742 -0.599 . . . . 32.39 111.967 -174.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ASN . . . . . 0.935 ' O ' ' O ' ' A' ' 301' ' ' HOH . 62.0 m-80 -111.85 176.86 4.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.111 0.481 . . . . 32.13 110.18 -172.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -117.6 152.3 49.48 Favored Pre-proline 0 C--O 1.238 0.47 0 C-N-CA 124.912 1.285 . . . . 42.97 111.62 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -55.69 135.48 69.64 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 120.675 0.917 . . . . 42.47 111.115 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.63 -24.08 32.77 Favored Glycine 0 N--CA 1.44 -1.094 0 CA-C-O 119.077 -0.846 . . . . 49.84 114.46 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.1 143.22 55.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 118.078 0.939 . . . . 43.74 109.643 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.41 -44.08 65.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.918 -0.713 . . . . 37.72 111.454 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.52 -31.94 52.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.499 -0.88 . . . . 33.63 111.179 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.68 -33.19 18.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.586 -0.845 . . . . 38.75 110.933 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.68 -38.22 84.24 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.655 -0.653 . . . . 47.34 110.762 171.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 44.2 mtp -65.71 -46.42 79.05 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.81 0.338 . . . . 34.1 111.493 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.7 99.46 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.059 -0.657 . . . . 30.01 111.504 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.27 -42.7 99.08 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.253 -0.579 . . . . 51.79 110.6 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.83 76.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.234 -0.586 . . . . 35.91 111.128 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.43 -40.61 91.69 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.596 -0.441 . . . . 37.55 111.295 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -67.11 -33.76 76.16 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.039 -0.664 . . . . 42.02 112.163 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -72.41 -41.2 66.52 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.083 -1.047 . . . . 62.46 111.166 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.87 -45.89 89.08 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.305 -0.558 . . . . 40.53 111.001 171.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.21 -42.39 81.21 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 122.157 -0.339 . . . . 28.65 111.605 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.5 -36.19 78.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.317 -0.553 . . . . 44.17 111.484 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 -46.56 85.44 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.798 -0.761 . . . . 61.41 110.433 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.5 -30.51 64.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.906 -1.118 . . . . 55.45 112.407 -171.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 21.7 pt -94.1 -5.95 10.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 C-N-CA 119.31 -0.956 . . . . 34.27 112.8 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -50.88 -40.64 57.0 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.926 -0.71 . . . . 47.62 110.614 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -119.67 111.65 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.512 0.725 . . . . 51.62 109.066 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 151.11 40.05 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.609 -0.515 . . . . 44.73 109.609 172.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.43 134.37 58.03 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 N-CA-C 109.936 -0.832 . . . . 48.28 109.936 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 63.1 p -62.98 138.08 58.46 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.566 -0.743 . . . . 89.32 110.877 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -52.43 95.46 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.861 -0.609 . . . . 127.4 110.271 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 110.399 -0.223 . . . . 133.56 110.399 179.767 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' 99O . . . . . 0.407 H101 ' OD1' ' A' ' 140' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.935 ' O ' ' O ' ' A' ' 140' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.857 ' O ' ' ND2' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' OD1' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.486 -0.19 . . . . 93.11 110.486 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mmm -148.74 125.56 11.2 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.982 -0.377 . . . . 95.93 109.982 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -74.82 150.37 86.18 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 30.29 110.069 162.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.53 171.35 16.93 Favored 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 120.232 0.622 . . . . 33.47 110.91 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.13 138.0 82.58 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 120.695 0.93 . . . . 34.75 109.955 166.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -71.41 164.11 36.8 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 120.693 0.928 . . . . 36.81 110.75 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.88 147.43 81.47 Favored 'Trans proline' 0 C--N 1.335 -0.179 0 CA-C-O 121.652 0.605 . . . . 29.5 111.68 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -66.68 146.25 54.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.648 . . . . 34.32 110.648 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 112' ' ' LYS . 70.3 p -116.35 -7.92 11.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.294 0.85 . . . . 31.22 113.294 171.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 150.92 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.901 -0.777 . . . . 46.55 108.901 173.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -167.58 95.71 0.64 Allowed Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.212 -0.904 . . . . 41.78 109.05 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.69 -31.26 86.22 Favored 'Trans proline' 0 C--O 1.242 0.704 0 N-CA-C 114.157 0.791 . . . . 36.39 114.157 -173.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.29 10.16 11.19 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.014 0.825 . . . . 48.08 113.043 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -89.96 137.43 28.19 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 118.719 -1.192 . . . . 42.96 110.201 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.33 134.61 23.08 Favored 'Trans proline' 0 C--O 1.235 0.333 0 N-CA-C 109.819 -0.877 . . . . 37.57 109.819 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' A' ' 117' ' ' ASN . 30.7 mttp -124.57 151.12 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 52.29 109.754 -173.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG3' ' CE3' ' A' ' 120' ' ' TRP . 32.6 mtm180 -142.39 143.01 32.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 38.86 110.154 175.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -100.76 92.42 5.07 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.275 -1.38 . . . . 53.12 107.275 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . 1.007 HG22 ' H ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -98.31 148.62 23.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.139 1.375 . . . . 42.91 110.095 -171.422 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -56.91 -40.83 77.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.11 -0.636 . . . . 49.75 111.05 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . 0.708 ' OE1' ' O ' ' A' ' 303' ' ' HOH . 5.0 mp0 -68.05 -34.99 77.5 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.695 -0.23 . . . . 62.35 111.127 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 1.007 ' H ' HG22 ' A' ' 60' ' ' THR . 31.4 mt -72.52 -37.84 68.23 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.831 -0.747 . . . . 30.82 110.98 -178.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . 0.727 ' OE1' ' O ' ' A' ' 60' ' ' THR . 7.3 mp0 -60.92 -43.8 98.09 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.904 -1.118 . . . . 79.65 110.778 172.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -56.4 -47.88 78.07 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.984 0.421 . . . . 40.24 111.009 175.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.8 -32.47 67.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.14 -0.624 . . . . 31.78 111.738 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.4 tp -83.59 -54.51 4.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.786 -1.166 . . . . 35.7 110.983 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.7 ttp-105 -60.87 -39.7 90.22 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.113 0.412 . . . . 68.38 112.113 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -108.66 -58.23 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.914 -0.491 . . . . 44.59 111.728 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.2 t -72.76 -56.85 8.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.157 -0.617 . . . . 33.19 110.665 -169.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.49 -42.72 98.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.666 -1.214 . . . . 37.7 111.384 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 88.4 mttt -73.1 -24.52 60.65 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.998 -0.681 . . . . 45.95 111.845 -174.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 m -73.84 -49.54 24.63 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.616 -0.434 . . . . 44.95 110.923 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 156' ' ' LEU . 79.1 mt -57.83 -37.84 74.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.07 -0.652 . . . . 44.37 111.017 175.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -59.92 -30.28 68.94 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.891 0.33 . . . . 33.75 111.891 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 2.7 mmmm -88.03 -5.94 58.23 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.452 0.908 . . . . 59.01 113.452 -177.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -67.19 148.74 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.314 0.578 . . . . 36.59 110.251 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -65.32 -17.0 64.17 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.597 0.592 . . . . 44.51 112.597 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -102.63 6.28 39.59 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.282 0.845 . . . . 48.6 113.282 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 153' ' ' LEU . . . -79.36 -20.87 46.69 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.001 1.111 . . . . 37.01 114.001 -174.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 68.3 p-90 -61.59 -37.3 39.54 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 114.549 1.315 . . . . 36.0 114.549 -167.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 81' ' ' TRP . 38.7 Cg_exo -64.75 -17.2 58.78 Favored 'Trans proline' 0 C--O 1.243 0.74 0 CA-C-N 121.879 1.707 . . . . 29.09 113.529 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -104.74 8.88 35.14 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.457 0.54 . . . . 29.27 112.457 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.56 3.17 51.31 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.497 0.925 . . . . 39.77 113.497 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -159.58 162.58 24.98 Favored Pre-proline 0 C--O 1.24 0.556 0 N-CA-C 108.45 -0.945 . . . . 32.7 108.45 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.99 146.84 78.1 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.189 0.593 . . . . 28.82 111.093 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.75 123.58 14.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 109.229 -0.656 . . . . 26.73 109.229 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -92.29 91.75 7.85 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.274 -1.75 . . . . 35.08 106.274 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -22.9 66.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.594 -0.842 . . . . 31.46 111.209 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.1 t -72.45 -55.76 12.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.88 0.371 . . . . 36.64 110.514 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -56.14 -50.64 70.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.111 0.481 . . . . 38.72 111.062 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.68 -1.92 18.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.91 0.708 . . . . 35.94 112.91 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . 0.857 ' ND2' ' O ' ' A' ' 302' ' ' HOH . 26.6 m120 43.67 58.71 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.569 1.176 . . . . 52.85 111.039 -173.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.57 63.83 10.71 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-N 114.245 -1.343 . . . . 37.73 107.729 172.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.95 -19.1 64.73 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 113.703 0.616 . . . . 35.42 113.703 -169.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.78 3.41 55.19 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 113.323 0.86 . . . . 35.06 113.323 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -61.03 -54.0 50.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.717 -0.793 . . . . 30.25 110.968 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -82.08 0.74 39.18 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.072 -0.651 . . . . 30.2 112.714 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -74.13 -28.2 61.22 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.998 -0.681 . . . . 44.1 110.642 163.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.8 mt -103.07 -42.17 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.264 0.626 . . . . 34.43 111.579 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 32.5 mm -95.74 110.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.241 -1.022 . . . . 29.41 108.241 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -103.61 -13.48 16.51 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.047 1.129 . . . . 34.85 114.047 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.1 p -124.05 71.83 53.78 Favored Pre-proline 0 C--O 1.238 0.493 0 CA-C-N 118.911 0.778 . . . . 39.41 109.246 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -64.12 151.35 85.69 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 120.256 0.637 . . . . 27.22 111.559 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 tpp -155.17 153.45 30.76 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.034 -1.098 . . . . 27.39 108.034 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -156.76 162.44 39.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.835 -0.802 . . . . 28.76 108.835 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 33.3 mtm -71.81 -23.99 61.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.144 -0.935 . . . . 34.45 112.639 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.56 -40.86 77.71 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.359 -1.401 . . . . 29.11 112.035 173.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 m -61.27 -43.84 98.22 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.238 -0.566 . . . . 26.37 110.978 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.83 -38.78 83.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.873 0.368 . . . . 29.46 110.843 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.48 -44.01 95.64 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.61 -0.836 . . . . 59.56 111.17 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HD2' HG21 ' A' ' 50' ' ' THR . 67.9 mttt -62.77 -42.09 99.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.669 -0.412 . . . . 60.32 110.987 175.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.76 -39.93 93.35 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.978 -0.689 . . . . 31.95 110.877 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -67.24 -47.73 69.88 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.678 0.275 . . . . 40.09 111.571 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -69.61 -21.27 63.59 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.983 0.734 . . . . 58.22 112.983 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -100.22 13.17 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.337 0.517 . . . . 58.1 112.233 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 49.0 t30 50.38 63.32 2.26 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 122.321 1.057 . . . . 56.06 111.178 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.33 -21.02 19.25 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.728 -1.123 . . . . 40.03 113.073 -175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.88 151.85 19.04 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.557 0.694 . . . . 29.05 111.899 -173.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CE3' ' HG3' ' A' ' 58' ' ' ARG . 66.7 t-105 -86.82 -35.41 19.1 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.067 -0.97 . . . . 35.29 112.003 169.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.76 169.26 23.21 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.051 0.929 . . . . 29.8 110.092 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.65 76.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.793 -1.094 . . . . 27.83 112.34 -174.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -63.39 -31.04 72.09 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.87 -0.732 . . . . 42.46 111.792 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.52 -41.23 96.52 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.009 -0.676 . . . . 45.12 111.161 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.27 -39.34 71.63 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.587 0.232 . . . . 30.0 111.346 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.02 -34.81 65.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 120.81 0.338 . . . . 32.07 110.572 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.94 -32.35 70.58 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 122.049 -0.407 . . . . 60.77 111.425 -178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.48 -39.23 91.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.427 -0.909 . . . . 25.29 111.373 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.19 -48.41 81.71 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.879 -0.728 . . . . 28.75 110.55 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.75 -37.73 82.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.506 -0.478 . . . . 50.04 111.794 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.1 m -61.86 -45.8 92.21 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.089 0.471 . . . . 27.84 110.982 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.35 -48.02 80.09 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.774 0.321 . . . . 25.71 111.696 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.0 -43.5 87.56 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.971 -0.692 . . . . 29.73 110.898 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 m -62.92 -40.55 97.95 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.677 -0.238 . . . . 38.54 111.44 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -57.36 -45.68 84.13 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.402 -0.519 . . . . 33.47 110.882 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.2 -41.63 98.54 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.57 -0.286 . . . . 36.26 111.107 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -70.16 -27.87 64.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.701 0.26 . . . . 39.06 111.701 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 55.9 mt -72.14 -55.38 13.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.856 -0.738 . . . . 31.7 110.327 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.742 -0.599 . . . . 32.39 111.967 -174.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ASN . . . . . 0.935 ' O ' ' O ' ' A' ' 301' ' ' HOH . 62.0 m-80 -111.85 176.86 4.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.111 0.481 . . . . 32.13 110.18 -172.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -117.6 152.3 49.48 Favored Pre-proline 0 C--O 1.238 0.47 0 C-N-CA 124.912 1.285 . . . . 42.97 111.62 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -55.69 135.48 69.64 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 120.675 0.917 . . . . 42.47 111.115 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.63 -24.08 32.77 Favored Glycine 0 N--CA 1.44 -1.094 0 CA-C-O 119.077 -0.846 . . . . 49.84 114.46 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.1 143.22 55.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 118.078 0.939 . . . . 43.74 109.643 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.41 -44.08 65.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.918 -0.713 . . . . 37.72 111.454 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 341' ' ' HOH . 7.4 tp -61.52 -31.94 52.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.499 -0.88 . . . . 33.63 111.179 -179.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.68 -33.19 18.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.586 -0.845 . . . . 38.75 110.933 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.68 -38.22 84.24 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.655 -0.653 . . . . 47.34 110.762 171.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 44.2 mtp -65.71 -46.42 79.05 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.81 0.338 . . . . 34.1 111.493 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.7 99.46 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.059 -0.657 . . . . 30.01 111.504 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.27 -42.7 99.08 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.253 -0.579 . . . . 51.79 110.6 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.83 76.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.234 -0.586 . . . . 35.91 111.128 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 80' ' ' ALA . 17.6 mt -60.43 -40.61 91.69 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.596 -0.441 . . . . 37.55 111.295 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -67.11 -33.76 76.16 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.039 -0.664 . . . . 42.02 112.163 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -72.41 -41.2 66.52 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.083 -1.047 . . . . 62.46 111.166 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 74' ' ' LEU . 48.6 tp -58.87 -45.89 89.08 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.305 -0.558 . . . . 40.53 111.001 171.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.21 -42.39 81.21 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 122.157 -0.339 . . . . 28.65 111.605 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.5 -36.19 78.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.317 -0.553 . . . . 44.17 111.484 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 -46.56 85.44 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.798 -0.761 . . . . 61.41 110.433 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.5 -30.51 64.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.906 -1.118 . . . . 55.45 112.407 -171.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 21.7 pt -94.1 -5.95 10.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 C-N-CA 119.31 -0.956 . . . . 34.27 112.8 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -50.88 -40.64 57.0 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.926 -0.71 . . . . 47.62 110.614 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -119.67 111.65 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.512 0.725 . . . . 51.62 109.066 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 151.11 40.05 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.609 -0.515 . . . . 44.73 109.609 172.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.43 134.37 58.03 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 N-CA-C 109.936 -0.832 . . . . 48.28 109.936 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 63.1 p -62.98 138.08 58.46 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.566 -0.743 . . . . 89.32 110.877 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -52.43 95.46 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.861 -0.609 . . . . 127.4 110.271 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 110.399 -0.223 . . . . 133.56 110.399 179.767 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' 99O . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.935 ' O ' ' O ' ' A' ' 140' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.857 ' O ' ' ND2' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' OD1' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . 0.427 ' O ' HG22 ' A' ' 146' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.486 -0.19 . . . . 93.11 110.486 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mmm -148.74 125.56 11.2 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.982 -0.377 . . . . 95.93 109.982 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -74.82 150.37 86.18 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 30.29 110.069 162.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.53 171.35 16.93 Favored 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 120.232 0.622 . . . . 33.47 110.91 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.13 138.0 82.58 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 120.695 0.93 . . . . 34.75 109.955 166.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -71.41 164.11 36.8 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 120.693 0.928 . . . . 36.81 110.75 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.88 147.43 81.47 Favored 'Trans proline' 0 C--N 1.335 -0.179 0 CA-C-O 121.652 0.605 . . . . 29.5 111.68 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -66.68 146.25 54.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.648 . . . . 34.32 110.648 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 112' ' ' LYS . 70.3 p -116.35 -7.92 11.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.294 0.85 . . . . 31.22 113.294 171.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 150.92 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.901 -0.777 . . . . 46.55 108.901 173.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -167.58 95.71 0.64 Allowed Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.212 -0.904 . . . . 41.78 109.05 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.69 -31.26 86.22 Favored 'Trans proline' 0 C--O 1.242 0.704 0 N-CA-C 114.157 0.791 . . . . 36.39 114.157 -173.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.29 10.16 11.19 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.014 0.825 . . . . 48.08 113.043 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -89.96 137.43 28.19 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 118.719 -1.192 . . . . 42.96 110.201 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.33 134.61 23.08 Favored 'Trans proline' 0 C--O 1.235 0.333 0 N-CA-C 109.819 -0.877 . . . . 37.57 109.819 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' A' ' 117' ' ' ASN . 30.7 mttp -124.57 151.12 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 52.29 109.754 -173.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG3' ' CE3' ' A' ' 120' ' ' TRP . 32.6 mtm180 -142.39 143.01 32.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 38.86 110.154 175.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -100.76 92.42 5.07 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.275 -1.38 . . . . 53.12 107.275 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . 1.007 HG22 ' H ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -98.31 148.62 23.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.139 1.375 . . . . 42.91 110.095 -171.422 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -56.91 -40.83 77.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.11 -0.636 . . . . 49.75 111.05 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.708 ' OE1' ' O ' ' A' ' 303' ' ' HOH . 5.0 mp0 -68.05 -34.99 77.5 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.695 -0.23 . . . . 62.35 111.127 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.007 ' H ' HG22 ' A' ' 60' ' ' THR . 31.4 mt -72.52 -37.84 68.23 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.831 -0.747 . . . . 30.82 110.98 -178.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.877 ' NE2' ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -60.92 -43.8 98.09 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.904 -1.118 . . . . 79.65 110.778 172.989 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -56.4 -47.88 78.07 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.984 0.421 . . . . 40.24 111.009 175.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.8 -32.47 67.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.14 -0.624 . . . . 31.78 111.738 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.4 tp -83.59 -54.51 4.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.786 -1.166 . . . . 35.7 110.983 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.7 ttp-105 -60.87 -39.7 90.22 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.113 0.412 . . . . 68.38 112.113 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -108.66 -58.23 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.914 -0.491 . . . . 44.59 111.728 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.2 t -72.76 -56.85 8.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.157 -0.617 . . . . 33.19 110.665 -169.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.49 -42.72 98.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.666 -1.214 . . . . 37.7 111.384 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 88.4 mttt -73.1 -24.52 60.65 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.998 -0.681 . . . . 45.95 111.845 -174.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 m -73.84 -49.54 24.63 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.616 -0.434 . . . . 44.95 110.923 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 156' ' ' LEU . 79.1 mt -57.83 -37.84 74.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.07 -0.652 . . . . 44.37 111.017 175.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -59.92 -30.28 68.94 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.891 0.33 . . . . 33.75 111.891 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 2.7 mmmm -88.03 -5.94 58.23 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.452 0.908 . . . . 59.01 113.452 -177.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -67.19 148.74 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.314 0.578 . . . . 36.59 110.251 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -65.32 -17.0 64.17 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.597 0.592 . . . . 44.51 112.597 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -102.63 6.28 39.59 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.282 0.845 . . . . 48.6 113.282 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 153' ' ' LEU . . . -79.36 -20.87 46.69 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.001 1.111 . . . . 37.01 114.001 -174.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 68.3 p-90 -61.59 -37.3 39.54 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 114.549 1.315 . . . . 36.0 114.549 -167.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 81' ' ' TRP . 38.7 Cg_exo -64.75 -17.2 58.78 Favored 'Trans proline' 0 C--O 1.243 0.74 0 CA-C-N 121.879 1.707 . . . . 29.09 113.529 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -104.74 8.88 35.14 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.457 0.54 . . . . 29.27 112.457 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.56 3.17 51.31 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.497 0.925 . . . . 39.77 113.497 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -159.58 162.58 24.98 Favored Pre-proline 0 C--O 1.24 0.556 0 N-CA-C 108.45 -0.945 . . . . 32.7 108.45 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.99 146.84 78.1 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.189 0.593 . . . . 28.82 111.093 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.75 123.58 14.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 109.229 -0.656 . . . . 26.73 109.229 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -92.29 91.75 7.85 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.274 -1.75 . . . . 35.08 106.274 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -22.9 66.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.594 -0.842 . . . . 31.46 111.209 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.1 t -72.45 -55.76 12.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.88 0.371 . . . . 36.64 110.514 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -56.14 -50.64 70.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.111 0.481 . . . . 38.72 111.062 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.68 -1.92 18.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.91 0.708 . . . . 35.94 112.91 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.857 ' ND2' ' O ' ' A' ' 302' ' ' HOH . 26.6 m120 43.67 58.71 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.569 1.176 . . . . 52.85 111.039 -173.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.57 63.83 10.71 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-N 114.245 -1.343 . . . . 37.73 107.729 172.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.95 -19.1 64.73 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 113.703 0.616 . . . . 35.42 113.703 -169.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.78 3.41 55.19 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 113.323 0.86 . . . . 35.06 113.323 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -61.03 -54.0 50.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.717 -0.793 . . . . 30.25 110.968 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -82.08 0.74 39.18 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.072 -0.651 . . . . 30.2 112.714 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -74.13 -28.2 61.22 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.998 -0.681 . . . . 44.1 110.642 163.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.8 mt -103.07 -42.17 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.264 0.626 . . . . 34.43 111.579 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 32.5 mm -95.74 110.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.241 -1.022 . . . . 29.41 108.241 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -103.61 -13.48 16.51 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.047 1.129 . . . . 34.85 114.047 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.1 p -124.05 71.83 53.78 Favored Pre-proline 0 C--O 1.238 0.493 0 CA-C-N 118.911 0.778 . . . . 39.41 109.246 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -64.12 151.35 85.69 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 120.256 0.637 . . . . 27.22 111.559 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 tpp -155.17 153.45 30.76 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.034 -1.098 . . . . 27.39 108.034 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -156.76 162.44 39.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.835 -0.802 . . . . 28.76 108.835 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 33.3 mtm -71.81 -23.99 61.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.144 -0.935 . . . . 34.45 112.639 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.56 -40.86 77.71 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.359 -1.401 . . . . 29.11 112.035 173.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 m -61.27 -43.84 98.22 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.238 -0.566 . . . . 26.37 110.978 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.83 -38.78 83.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.873 0.368 . . . . 29.46 110.843 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.48 -44.01 95.64 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.61 -0.836 . . . . 59.56 111.17 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HD2' HG21 ' A' ' 50' ' ' THR . 67.9 mttt -62.77 -42.09 99.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.669 -0.412 . . . . 60.32 110.987 175.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.76 -39.93 93.35 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.978 -0.689 . . . . 31.95 110.877 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -67.24 -47.73 69.88 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.678 0.275 . . . . 40.09 111.571 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -69.61 -21.27 63.59 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.983 0.734 . . . . 58.22 112.983 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -100.22 13.17 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.337 0.517 . . . . 58.1 112.233 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 49.0 t30 50.38 63.32 2.26 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 122.321 1.057 . . . . 56.06 111.178 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.33 -21.02 19.25 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.728 -1.123 . . . . 40.03 113.073 -175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.88 151.85 19.04 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.557 0.694 . . . . 29.05 111.899 -173.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CE3' ' HG3' ' A' ' 58' ' ' ARG . 66.7 t-105 -86.82 -35.41 19.1 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.067 -0.97 . . . . 35.29 112.003 169.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.76 169.26 23.21 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.051 0.929 . . . . 29.8 110.092 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.65 76.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.793 -1.094 . . . . 27.83 112.34 -174.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -63.39 -31.04 72.09 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.87 -0.732 . . . . 42.46 111.792 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.52 -41.23 96.52 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.009 -0.676 . . . . 45.12 111.161 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.27 -39.34 71.63 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.587 0.232 . . . . 30.0 111.346 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.02 -34.81 65.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 120.81 0.338 . . . . 32.07 110.572 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.94 -32.35 70.58 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 122.049 -0.407 . . . . 60.77 111.425 -178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.48 -39.23 91.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.427 -0.909 . . . . 25.29 111.373 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.19 -48.41 81.71 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.879 -0.728 . . . . 28.75 110.55 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.75 -37.73 82.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.506 -0.478 . . . . 50.04 111.794 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.1 m -61.86 -45.8 92.21 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.089 0.471 . . . . 27.84 110.982 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.35 -48.02 80.09 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.774 0.321 . . . . 25.71 111.696 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.0 -43.5 87.56 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.971 -0.692 . . . . 29.73 110.898 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 m -62.92 -40.55 97.95 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.677 -0.238 . . . . 38.54 111.44 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -57.36 -45.68 84.13 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.402 -0.519 . . . . 33.47 110.882 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.2 -41.63 98.54 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.57 -0.286 . . . . 36.26 111.107 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -70.16 -27.87 64.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.701 0.26 . . . . 39.06 111.701 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 55.9 mt -72.14 -55.38 13.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.856 -0.738 . . . . 31.7 110.327 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.742 -0.599 . . . . 32.39 111.967 -174.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.935 ' O ' ' O ' ' A' ' 301' ' ' HOH . 62.0 m-80 -111.85 176.86 4.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.111 0.481 . . . . 32.13 110.18 -172.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -117.6 152.3 49.48 Favored Pre-proline 0 C--O 1.238 0.47 0 C-N-CA 124.912 1.285 . . . . 42.97 111.62 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -55.69 135.48 69.64 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 120.675 0.917 . . . . 42.47 111.115 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.63 -24.08 32.77 Favored Glycine 0 N--CA 1.44 -1.094 0 CA-C-O 119.077 -0.846 . . . . 49.84 114.46 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.1 143.22 55.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 118.078 0.939 . . . . 43.74 109.643 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.41 -44.08 65.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.918 -0.713 . . . . 37.72 111.454 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 341' ' ' HOH . 7.4 tp -61.52 -31.94 52.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.499 -0.88 . . . . 33.63 111.179 -179.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.68 -33.19 18.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 119.586 -0.845 . . . . 38.75 110.933 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.68 -38.22 84.24 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.655 -0.653 . . . . 47.34 110.762 171.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 44.2 mtp -65.71 -46.42 79.05 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.81 0.338 . . . . 34.1 111.493 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.7 99.46 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.059 -0.657 . . . . 30.01 111.504 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.27 -42.7 99.08 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.253 -0.579 . . . . 51.79 110.6 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.83 76.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.234 -0.586 . . . . 35.91 111.128 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 80' ' ' ALA . 17.6 mt -60.43 -40.61 91.69 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.596 -0.441 . . . . 37.55 111.295 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -67.11 -33.76 76.16 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.039 -0.664 . . . . 42.02 112.163 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -72.41 -41.2 66.52 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.083 -1.047 . . . . 62.46 111.166 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 74' ' ' LEU . 48.6 tp -58.87 -45.89 89.08 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.305 -0.558 . . . . 40.53 111.001 171.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.21 -42.39 81.21 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 122.157 -0.339 . . . . 28.65 111.605 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.5 -36.19 78.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.317 -0.553 . . . . 44.17 111.484 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 -46.56 85.44 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.798 -0.761 . . . . 61.41 110.433 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.5 -30.51 64.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.906 -1.118 . . . . 55.45 112.407 -171.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 21.7 pt -94.1 -5.95 10.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 C-N-CA 119.31 -0.956 . . . . 34.27 112.8 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -50.88 -40.64 57.0 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.926 -0.71 . . . . 47.62 110.614 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -119.67 111.65 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.512 0.725 . . . . 51.62 109.066 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 151.11 40.05 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.609 -0.515 . . . . 44.73 109.609 172.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.43 134.37 58.03 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 N-CA-C 109.936 -0.832 . . . . 48.28 109.936 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 63.1 p -62.98 138.08 58.46 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.566 -0.743 . . . . 89.32 110.877 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -52.43 95.46 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.861 -0.609 . . . . 127.4 110.271 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 110.399 -0.223 . . . . 133.56 110.399 179.767 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' 99O . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.935 ' O ' ' O ' ' A' ' 140' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.857 ' O ' ' ND2' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' OD1' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . 0.427 ' O ' HG22 ' A' ' 146' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_