data_6xpk_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 6xpk _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' 17' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.769 0 CA-C-O 119.08 -0.467 . . . . 103.33 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.51 -71.88 0.9 Allowed Glycine 0 N--CA 1.476 1.306 0 CA-C-O 118.224 -1.32 . . . . 90.420000000000002 111.58 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.11 105.38 17.52 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.001 1.32 . . . . 71.269999999999996 109.178 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -136.22 135.14 38.83 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.972 1.309 . . . . 78.400000000000006 110.071 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.4 mt -99.9 106.99 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 107.032 -1.47 . . . . 61.880000000000003 107.032 161.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 p -91.6 -21.24 20.93 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.451 1.501 . . . . 60.740000000000002 110.481 -172.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -143.77 137.22 27.91 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.295 1.038 . . . . 60.560000000000002 109.468 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.97 70.35 1.19 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.022 1.729 . . . . 55.359999999999999 108.114 170.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -104.65 150.05 25.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.821 1.648 . . . . 54.979999999999997 110.324 -164.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 p -125.72 129.21 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 125.143 1.377 . . . . 56.759999999999998 108.233 174.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.09 100.32 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.379 -1.341 . . . . 59.310000000000002 107.379 171.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.24 75.09 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.524 1.53 . . . . 61.869999999999997 110.403 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.43 79.19 67.22 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.279 1.432 . . . . 63.270000000000003 110.28 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.4 167.83 17.73 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.095 1.863 . . . . 73.329999999999998 113.449 173.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.24 160.76 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 125.594 1.558 . . . . 78.219999999999999 109.35 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -35.16 -59.03 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 126.606 1.962 . . . . 88.700000000000003 110.725 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.72 75.23 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.663 1.585 . . . . 76.75 110.605 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.8 -46.07 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 124.736 1.214 . . . . 70.099999999999994 109.044 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.66 -52.77 62.97 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.896 1.278 . . . . 73.109999999999999 109.559 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -57.36 -37.85 73.27 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.369 1.468 . . . . 75.090000000000003 109.916 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.37 -43.24 99.3 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.593 1.557 . . . . 76.609999999999999 110.238 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.8 mt -88.04 -32.32 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.516 1.126 . . . . 76.010000000000005 110.489 -176.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.72 51.61 3.58 Favored Glycine 0 N--CA 1.477 1.427 0 CA-C-O 118.285 -1.286 . . . . 81.780000000000001 111.482 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.3 t -105.08 165.31 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.015 1.726 . . . . 95.090000000000003 108.22 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.01 21.68 1.03 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.263 1.425 . . . . 103.61 111.003 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.0 m80 56.85 34.44 24.77 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.88 1.672 . . . . 107.31999999999999 111.118 169.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -147.29 91.74 2.02 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.524 1.129 . . . . 105.54000000000001 109.441 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.08 176.47 14.39 Favored Glycine 0 N--CA 1.477 1.424 0 O-C-N 124.587 1.179 . . . . 82.989999999999995 112.742 172.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.06 171.14 15.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.719 1.608 . . . . 66.989999999999995 109.691 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.51 120.77 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 125.086 1.355 . . . . 56.100000000000001 108.334 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.05 124.78 7.81 Favored Glycine 0 N--CA 1.476 1.334 0 CA-C-O 117.849 -1.528 . . . . 52.43 110.963 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.48 133.88 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 124.964 1.306 . . . . 53.880000000000003 108.195 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 131.51 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.474 1.11 . . . . 51.770000000000003 109.053 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -123.34 129.15 50.9 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.968 1.707 . . . . 60.009999999999998 109.069 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' CD1' ' OG1' ' A' ' 56' ' ' THR . 4.3 pp -146.63 157.82 43.79 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.459 1.1 . . . . 64.590000000000003 110.377 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.3 m -129.81 138.38 32.97 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 126.607 1.963 . . . . 71.819999999999993 107.697 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.74 155.02 72.26 Favored 'Cis proline' 0 C--N 1.356 0.926 0 CA-C-N 121.001 1.393 . . . . 61.659999999999997 114.106 -1.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -67.47 -26.14 66.23 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.561 1.545 . . . . 62.409999999999997 110.743 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.89 -26.9 64.4 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 117.865 -1.064 . . . . 68.099999999999994 110.441 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' A' ' 51' ' ' LEU . 70.1 p -75.87 1.36 15.28 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.795 1.238 . . . . 53.520000000000003 110.587 -173.052 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.06 66.27 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.161 1.384 . . . . 54.020000000000003 109.361 166.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -37.63 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.004 1.322 . . . . 66.840000000000003 109.079 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.23 -41.84 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 124.748 1.219 . . . . 57.880000000000003 108.693 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.45 93.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.241 1.416 . . . . 56.460000000000001 109.714 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.28 80.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.527 1.531 . . . . 59.649999999999999 110.115 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.61 -47.23 86.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.167 1.387 . . . . 66.409999999999997 109.576 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.18 -39.69 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.866 1.266 . . . . 67.760000000000005 109.106 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.75 85.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.863 1.265 . . . . 74.840000000000003 109.879 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.93 81.94 Favored Glycine 0 N--CA 1.477 1.381 0 CA-C-O 117.627 -1.652 . . . . 80.989999999999995 112.889 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -64.89 -29.46 70.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.44 1.096 . . . . 99.969999999999999 109.988 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.17 71.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.202 1.401 . . . . 108.95 110.072 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 74.31 -50.45 0.68 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.705 2.002 . . . . 105.26000000000001 110.434 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -53.62 -35.15 60.62 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.73 1.212 . . . . 104.95 109.313 171.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.7 mm -68.6 133.26 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 125.41 1.484 . . . . 87.700000000000003 108.792 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -106.67 119.7 40.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.514 1.526 . . . . 85.609999999999999 108.813 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.1 mm -71.32 117.22 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.943 -1.132 . . . . 71.659999999999997 107.943 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 98.8 m -77.34 -60.32 2.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.126 1.37 . . . . 71.170000000000002 109.575 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -152.72 146.48 25.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.772 1.229 . . . . 75.140000000000001 109.739 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.24 110.29 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 125.462 1.505 . . . . 70.230000000000004 107.738 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -105.42 109.4 21.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 75.040000000000006 108.384 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -84.72 -12.72 53.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.575 1.172 . . . . 89.180000000000007 110.034 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -85.81 -42.75 13.89 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.924 1.289 . . . . 77.019999999999996 109.873 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.4 p -93.84 -26.05 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.189 1.396 . . . . 63.340000000000003 110.45 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.74 53.86 3.42 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 118.316 -1.269 . . . . 59.18 111.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 m -128.09 135.77 50.27 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.72 1.608 . . . . 58.43 110.077 -171.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.7 t -134.53 137.19 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 124.936 1.294 . . . . 56.030000000000001 108.357 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 18.1 mtt -136.55 147.8 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.753 1.283 . . . . 64.920000000000002 109.286 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -160.35 146.84 15.59 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.793 1.237 . . . . 56.210000000000001 109.923 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 p -112.22 169.46 8.85 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.74 1.616 . . . . 65.980000000000004 110.185 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.72 176.37 16.75 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.459 1.504 . . . . 68.280000000000001 111.148 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.72 137.32 49.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.179 0.992 . . . . 80.019999999999996 109.068 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.3 tp -39.07 -43.77 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 C-N-CA 126.01 1.724 . . . . 72.590000000000003 110.323 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.12 -46.06 71.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.881 -1.057 . . . . 89.969999999999999 109.999 -173.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.1 m -59.82 -43.06 94.73 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.097 1.359 . . . . 67.739999999999995 110.227 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.6 t -64.58 -45.27 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 124.99 1.316 . . . . 62.159999999999997 108.945 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.95 -46.53 90.33 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.461 1.105 . . . . 73.170000000000002 109.619 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.3 m -59.42 -47.84 83.91 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.305 1.442 . . . . 62.710000000000001 109.374 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -58.91 -49.68 76.91 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.263 1.425 . . . . 55.890000000000001 110.054 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.98 -47.84 83.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.545 1.153 . . . . 55.670000000000002 109.352 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.46 -46.22 83.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 124.602 1.189 . . . . 75.519999999999996 109.107 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -62.13 -47.39 84.79 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.022 1.329 . . . . 69.140000000000001 109.906 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.77 -54.66 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 124.404 1.065 . . . . 57.340000000000003 108.744 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.89 -43.59 77.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 124.578 1.174 . . . . 62.340000000000003 109.859 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.32 -47.53 64.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.796 -1.097 . . . . 93.760000000000005 109.677 -173.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -65.2 -56.95 9.91 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.338 1.055 . . . . 67.219999999999999 109.827 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -54.84 -40.79 69.98 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.098 1.359 . . . . 59.579999999999998 109.89 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -66.65 -57.19 7.69 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.593 1.157 . . . . 69.780000000000001 109.663 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.04 -46.72 17.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.743 1.217 . . . . 61.579999999999998 110.451 -168.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.3 m -87.61 -55.56 3.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.918 1.287 . . . . 57.450000000000003 110.976 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.2 mt -90.39 -2.95 57.99 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.736 -1.126 . . . . 59.380000000000003 110.795 -170.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.43 35.58 92.13 Favored Glycine 0 N--CA 1.477 1.389 0 CA-C-O 117.939 -1.478 . . . . 59.479999999999997 112.655 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -79.08 153.8 29.9 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.919 1.288 . . . . 62.159999999999997 109.231 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 p -98.5 103.34 15.28 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.326 1.45 . . . . 71.700000000000003 108.571 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.3 p -92.64 147.95 22.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.367 1.467 . . . . 70.120000000000005 110.468 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.2 m -87.78 156.32 52.8 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 124.85 1.344 . . . . 65.989999999999995 108.171 171.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.93 147.55 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.534 1.489 . . . . 66.75 112.082 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.16 142.37 57.67 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.796 1.239 . . . . 68.200000000000003 108.552 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.3 p -130.85 148.0 52.57 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.048 1.339 . . . . 59.57 109.865 -175.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -124.78 139.52 53.77 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.407 1.483 . . . . 80.510000000000005 110.061 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 125.501 1.52 . . . . 77.230000000000004 109.738 170.779 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.769 0 CA-C-O 119.08 -0.467 . . . . 103.33 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.51 -71.88 0.9 Allowed Glycine 0 N--CA 1.476 1.306 0 CA-C-O 118.224 -1.32 . . . . 90.42 111.58 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.11 105.38 17.52 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.001 1.32 . . . . 71.27 109.178 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -136.22 135.14 38.83 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.972 1.309 . . . . 78.4 110.071 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.4 mt -99.9 106.99 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 107.032 -1.47 . . . . 61.88 107.032 161.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 p -91.6 -21.24 20.93 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.451 1.501 . . . . 60.74 110.481 -172.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -143.77 137.22 27.91 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.295 1.038 . . . . 60.56 109.468 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.97 70.35 1.19 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.022 1.729 . . . . 55.36 108.114 170.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -104.65 150.05 25.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.821 1.648 . . . . 54.98 110.324 -164.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 p -125.72 129.21 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 125.143 1.377 . . . . 56.76 108.233 174.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.09 100.32 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.379 -1.341 . . . . 59.31 107.379 171.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.24 75.09 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.524 1.53 . . . . 61.87 110.403 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.43 79.19 67.22 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.279 1.432 . . . . 63.27 110.28 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.4 167.83 17.73 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.095 1.863 . . . . 73.33 113.449 173.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.24 160.76 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 125.594 1.558 . . . . 78.22 109.35 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -35.16 -59.03 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 126.606 1.962 . . . . 88.7 110.725 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.72 75.23 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.663 1.585 . . . . 76.75 110.605 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.8 -46.07 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 124.736 1.214 . . . . 70.1 109.044 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.66 -52.77 62.97 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.896 1.278 . . . . 73.11 109.559 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -57.36 -37.85 73.27 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.369 1.468 . . . . 75.09 109.916 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.37 -43.24 99.3 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.593 1.557 . . . . 76.61 110.238 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.8 mt -88.04 -32.32 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.516 1.126 . . . . 76.01 110.489 -176.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.72 51.61 3.58 Favored Glycine 0 N--CA 1.477 1.427 0 CA-C-O 118.285 -1.286 . . . . 81.78 111.482 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.3 t -105.08 165.31 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.015 1.726 . . . . 95.09 108.22 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.01 21.68 1.03 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.263 1.425 . . . . 103.61 111.003 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.0 m80 56.85 34.44 24.77 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.88 1.672 . . . . 107.32 111.118 169.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -147.29 91.74 2.02 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.524 1.129 . . . . 105.54 109.441 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.08 176.47 14.39 Favored Glycine 0 N--CA 1.477 1.424 0 O-C-N 124.587 1.179 . . . . 82.99 112.742 172.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.06 171.14 15.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.719 1.608 . . . . 66.99 109.691 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.51 120.77 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 125.086 1.355 . . . . 56.1 108.334 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.05 124.78 7.81 Favored Glycine 0 N--CA 1.476 1.334 0 CA-C-O 117.849 -1.528 . . . . 52.43 110.963 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.48 133.88 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 124.964 1.306 . . . . 53.88 108.195 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 131.51 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.474 1.11 . . . . 51.77 109.053 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -123.34 129.15 50.9 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.968 1.707 . . . . 60.01 109.069 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' OG1' ' A' ' 56' ' ' THR . 4.3 pp -146.63 157.82 43.79 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.459 1.1 . . . . 64.59 110.377 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.3 m -129.81 138.38 32.97 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 126.607 1.963 . . . . 71.82 107.697 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.74 155.02 72.26 Favored 'Cis proline' 0 C--N 1.356 0.926 0 CA-C-N 121.001 1.393 . . . . 61.66 114.106 -1.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -67.47 -26.14 66.23 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.561 1.545 . . . . 62.41 110.743 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.89 -26.9 64.4 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 117.865 -1.064 . . . . 68.1 110.441 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . 0.759 ' OG1' HD13 ' A' ' 51' ' ' LEU . 70.1 p -75.87 1.36 15.28 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.795 1.238 . . . . 53.52 110.587 -173.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.06 66.27 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.161 1.384 . . . . 54.02 109.361 166.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -37.63 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.004 1.322 . . . . 66.84 109.079 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.23 -41.84 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 124.748 1.219 . . . . 57.88 108.693 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.45 93.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.241 1.416 . . . . 56.46 109.714 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.28 80.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.527 1.531 . . . . 59.65 110.115 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.61 -47.23 86.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.167 1.387 . . . . 66.41 109.576 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.18 -39.69 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.866 1.266 . . . . 67.76 109.106 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.75 85.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.863 1.265 . . . . 74.84 109.879 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.93 81.94 Favored Glycine 0 N--CA 1.477 1.381 0 CA-C-O 117.627 -1.652 . . . . 80.99 112.889 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -64.89 -29.46 70.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.44 1.096 . . . . 99.97 109.988 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.17 71.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.202 1.401 . . . . 108.95 110.072 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 74.31 -50.45 0.68 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.705 2.002 . . . . 105.26 110.434 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -53.62 -35.15 60.62 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.73 1.212 . . . . 104.95 109.313 171.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.7 mm -68.6 133.26 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 125.41 1.484 . . . . 87.7 108.792 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -106.67 119.7 40.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.514 1.526 . . . . 85.61 108.813 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.1 mm -71.32 117.22 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.943 -1.132 . . . . 71.66 107.943 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 98.8 m -77.34 -60.32 2.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.126 1.37 . . . . 71.17 109.575 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -152.72 146.48 25.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.772 1.229 . . . . 75.14 109.739 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.24 110.29 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 125.462 1.505 . . . . 70.23 107.738 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -105.42 109.4 21.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 75.04 108.384 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -84.72 -12.72 53.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.575 1.172 . . . . 89.18 110.034 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -85.81 -42.75 13.89 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.924 1.289 . . . . 77.02 109.873 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.4 p -93.84 -26.05 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.189 1.396 . . . . 63.34 110.45 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.74 53.86 3.42 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 118.316 -1.269 . . . . 59.18 111.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 m -128.09 135.77 50.27 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.72 1.608 . . . . 58.43 110.077 -171.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.7 t -134.53 137.19 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 124.936 1.294 . . . . 56.03 108.357 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 18.1 mtt -136.55 147.8 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.753 1.283 . . . . 64.92 109.286 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -160.35 146.84 15.59 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.793 1.237 . . . . 56.21 109.923 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 p -112.22 169.46 8.85 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.74 1.616 . . . . 65.98 110.185 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.72 176.37 16.75 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.459 1.504 . . . . 68.28 111.148 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.72 137.32 49.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.179 0.992 . . . . 80.02 109.068 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.3 tp -39.07 -43.77 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 C-N-CA 126.01 1.724 . . . . 72.59 110.323 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.12 -46.06 71.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.881 -1.057 . . . . 89.97 109.999 -173.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.1 m -59.82 -43.06 94.73 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.097 1.359 . . . . 67.74 110.227 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.6 t -64.58 -45.27 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 124.99 1.316 . . . . 62.16 108.945 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.95 -46.53 90.33 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.461 1.105 . . . . 73.17 109.619 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.3 m -59.42 -47.84 83.91 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.305 1.442 . . . . 62.71 109.374 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -58.91 -49.68 76.91 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.263 1.425 . . . . 55.89 110.054 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.98 -47.84 83.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.545 1.153 . . . . 55.67 109.352 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.46 -46.22 83.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 124.602 1.189 . . . . 75.52 109.107 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -62.13 -47.39 84.79 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.022 1.329 . . . . 69.14 109.906 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.77 -54.66 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 124.404 1.065 . . . . 57.34 108.744 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.89 -43.59 77.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 124.578 1.174 . . . . 62.34 109.859 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.32 -47.53 64.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.796 -1.097 . . . . 93.76 109.677 -173.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -65.2 -56.95 9.91 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.338 1.055 . . . . 67.22 109.827 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -54.84 -40.79 69.98 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.098 1.359 . . . . 59.58 109.89 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -66.65 -57.19 7.69 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.593 1.157 . . . . 69.78 109.663 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.04 -46.72 17.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.743 1.217 . . . . 61.58 110.451 -168.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.3 m -87.61 -55.56 3.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.918 1.287 . . . . 57.45 110.976 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.2 mt -90.39 -2.95 57.99 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.736 -1.126 . . . . 59.38 110.795 -170.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.43 35.58 92.13 Favored Glycine 0 N--CA 1.477 1.389 0 CA-C-O 117.939 -1.478 . . . . 59.48 112.655 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -79.08 153.8 29.9 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.919 1.288 . . . . 62.16 109.231 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 p -98.5 103.34 15.28 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.326 1.45 . . . . 71.7 108.571 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.3 p -92.64 147.95 22.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.367 1.467 . . . . 70.12 110.468 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.2 m -87.78 156.32 52.8 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 124.85 1.344 . . . . 65.99 108.171 171.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.93 147.55 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.534 1.489 . . . . 66.75 112.082 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.16 142.37 57.67 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.796 1.239 . . . . 68.2 108.552 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.3 p -130.85 148.0 52.57 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.048 1.339 . . . . 59.57 109.865 -175.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -124.78 139.52 53.77 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.407 1.483 . . . . 80.51 110.061 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 125.501 1.52 . . . . 77.23 109.738 170.779 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.769 0 CA-C-O 119.08 -0.467 . . . . 103.33 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.51 -71.88 0.9 Allowed Glycine 0 N--CA 1.476 1.306 0 CA-C-O 118.224 -1.32 . . . . 90.420000000000002 111.58 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.11 105.38 17.52 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.001 1.32 . . . . 71.269999999999996 109.178 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -136.22 135.14 38.83 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.972 1.309 . . . . 78.400000000000006 110.071 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.4 mt -99.9 106.99 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 107.032 -1.47 . . . . 61.880000000000003 107.032 161.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 p -91.6 -21.24 20.93 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.451 1.501 . . . . 60.740000000000002 110.481 -172.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -143.77 137.22 27.91 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.295 1.038 . . . . 60.560000000000002 109.468 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.97 70.35 1.19 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.022 1.729 . . . . 55.359999999999999 108.114 170.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -104.65 150.05 25.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.821 1.648 . . . . 54.979999999999997 110.324 -164.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 p -125.72 129.21 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 125.143 1.377 . . . . 56.759999999999998 108.233 174.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.09 100.32 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.379 -1.341 . . . . 59.310000000000002 107.379 171.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.24 75.09 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.524 1.53 . . . . 61.869999999999997 110.403 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.43 79.19 67.22 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.279 1.432 . . . . 63.270000000000003 110.28 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.4 167.83 17.73 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.095 1.863 . . . . 73.329999999999998 113.449 173.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.24 160.76 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 125.594 1.558 . . . . 78.219999999999999 109.35 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -35.16 -59.03 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 126.606 1.962 . . . . 88.700000000000003 110.725 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.72 75.23 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.663 1.585 . . . . 76.75 110.605 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.8 -46.07 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 124.736 1.214 . . . . 70.099999999999994 109.044 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.66 -52.77 62.97 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.896 1.278 . . . . 73.109999999999999 109.559 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -57.36 -37.85 73.27 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.369 1.468 . . . . 75.090000000000003 109.916 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.37 -43.24 99.3 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.593 1.557 . . . . 76.609999999999999 110.238 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.8 mt -88.04 -32.32 18.83 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.516 1.126 . . . . 76.010000000000005 110.489 -176.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.72 51.61 3.58 Favored Glycine 0 N--CA 1.477 1.427 0 CA-C-O 118.285 -1.286 . . . . 81.780000000000001 111.482 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.3 t -105.08 165.31 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.015 1.726 . . . . 95.090000000000003 108.22 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.01 21.68 1.03 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.263 1.425 . . . . 103.61 111.003 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.0 m80 56.85 34.44 24.77 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.88 1.672 . . . . 107.31999999999999 111.118 169.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -147.29 91.74 2.02 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.524 1.129 . . . . 105.54000000000001 109.441 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.08 176.47 14.39 Favored Glycine 0 N--CA 1.477 1.424 0 O-C-N 124.587 1.179 . . . . 82.989999999999995 112.742 172.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.06 171.14 15.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.719 1.608 . . . . 66.989999999999995 109.691 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.51 120.77 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 125.086 1.355 . . . . 56.100000000000001 108.334 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.05 124.78 7.81 Favored Glycine 0 N--CA 1.476 1.334 0 CA-C-O 117.849 -1.528 . . . . 52.43 110.963 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.48 133.88 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 124.964 1.306 . . . . 53.880000000000003 108.195 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 131.51 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.474 1.11 . . . . 51.770000000000003 109.053 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -123.34 129.15 50.9 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.968 1.707 . . . . 60.009999999999998 109.069 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' OG1' ' A' ' 56' ' ' THR . 4.3 pp -146.63 157.82 43.79 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.459 1.1 . . . . 64.590000000000003 110.377 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.3 m -129.81 138.38 32.97 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 126.607 1.963 . . . . 71.819999999999993 107.697 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.74 155.02 72.26 Favored 'Cis proline' 0 C--N 1.356 0.926 0 CA-C-N 121.001 1.393 . . . . 61.659999999999997 114.106 -1.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -67.47 -26.14 66.23 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.561 1.545 . . . . 62.409999999999997 110.743 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.89 -26.9 64.4 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 117.865 -1.064 . . . . 68.099999999999994 110.441 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . 0.759 ' OG1' HD13 ' A' ' 51' ' ' LEU . 70.1 p -75.87 1.36 15.28 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.795 1.238 . . . . 53.520000000000003 110.587 -173.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.06 66.27 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.161 1.384 . . . . 54.020000000000003 109.361 166.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -37.63 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.004 1.322 . . . . 66.840000000000003 109.079 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.23 -41.84 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 C-N-CA 124.748 1.219 . . . . 57.880000000000003 108.693 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.45 93.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.241 1.416 . . . . 56.460000000000001 109.714 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.28 80.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.527 1.531 . . . . 59.649999999999999 110.115 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.61 -47.23 86.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.167 1.387 . . . . 66.409999999999997 109.576 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.18 -39.69 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.866 1.266 . . . . 67.760000000000005 109.106 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.75 85.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.863 1.265 . . . . 74.840000000000003 109.879 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.93 81.94 Favored Glycine 0 N--CA 1.477 1.381 0 CA-C-O 117.627 -1.652 . . . . 80.989999999999995 112.889 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -64.89 -29.46 70.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.44 1.096 . . . . 99.969999999999999 109.988 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.17 71.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.202 1.401 . . . . 108.95 110.072 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 74.31 -50.45 0.68 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.705 2.002 . . . . 105.26000000000001 110.434 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -53.62 -35.15 60.62 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.73 1.212 . . . . 104.95 109.313 171.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.7 mm -68.6 133.26 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 125.41 1.484 . . . . 87.700000000000003 108.792 174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -106.67 119.7 40.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.514 1.526 . . . . 85.609999999999999 108.813 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.1 mm -71.32 117.22 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.943 -1.132 . . . . 71.659999999999997 107.943 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 98.8 m -77.34 -60.32 2.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.126 1.37 . . . . 71.170000000000002 109.575 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -152.72 146.48 25.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.772 1.229 . . . . 75.140000000000001 109.739 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.24 110.29 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 125.462 1.505 . . . . 70.230000000000004 107.738 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -105.42 109.4 21.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 75.040000000000006 108.384 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -84.72 -12.72 53.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.575 1.172 . . . . 89.180000000000007 110.034 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -85.81 -42.75 13.89 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.924 1.289 . . . . 77.019999999999996 109.873 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.4 p -93.84 -26.05 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 125.189 1.396 . . . . 63.340000000000003 110.45 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.74 53.86 3.42 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 118.316 -1.269 . . . . 59.18 111.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 m -128.09 135.77 50.27 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.72 1.608 . . . . 58.43 110.077 -171.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.7 t -134.53 137.19 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 124.936 1.294 . . . . 56.030000000000001 108.357 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 18.1 mtt -136.55 147.8 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.753 1.283 . . . . 64.920000000000002 109.286 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -160.35 146.84 15.59 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.793 1.237 . . . . 56.210000000000001 109.923 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 p -112.22 169.46 8.85 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.74 1.616 . . . . 65.980000000000004 110.185 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.72 176.37 16.75 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.459 1.504 . . . . 68.280000000000001 111.148 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.72 137.32 49.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.179 0.992 . . . . 80.019999999999996 109.068 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.3 tp -39.07 -43.77 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 C-N-CA 126.01 1.724 . . . . 72.590000000000003 110.323 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.12 -46.06 71.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.881 -1.057 . . . . 89.969999999999999 109.999 -173.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.1 m -59.82 -43.06 94.73 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.097 1.359 . . . . 67.739999999999995 110.227 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.6 t -64.58 -45.27 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 124.99 1.316 . . . . 62.159999999999997 108.945 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.95 -46.53 90.33 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.461 1.105 . . . . 73.170000000000002 109.619 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.3 m -59.42 -47.84 83.91 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.305 1.442 . . . . 62.710000000000001 109.374 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -58.91 -49.68 76.91 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.263 1.425 . . . . 55.890000000000001 110.054 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.98 -47.84 83.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.545 1.153 . . . . 55.670000000000002 109.352 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.46 -46.22 83.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 124.602 1.189 . . . . 75.519999999999996 109.107 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -62.13 -47.39 84.79 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.022 1.329 . . . . 69.140000000000001 109.906 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.77 -54.66 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 124.404 1.065 . . . . 57.340000000000003 108.744 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.89 -43.59 77.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 124.578 1.174 . . . . 62.340000000000003 109.859 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.32 -47.53 64.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.796 -1.097 . . . . 93.760000000000005 109.677 -173.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -65.2 -56.95 9.91 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.338 1.055 . . . . 67.219999999999999 109.827 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -54.84 -40.79 69.98 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.098 1.359 . . . . 59.579999999999998 109.89 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -66.65 -57.19 7.69 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.593 1.157 . . . . 69.780000000000001 109.663 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.04 -46.72 17.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.743 1.217 . . . . 61.579999999999998 110.451 -168.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.3 m -87.61 -55.56 3.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.918 1.287 . . . . 57.450000000000003 110.976 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.2 mt -90.39 -2.95 57.99 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.736 -1.126 . . . . 59.380000000000003 110.795 -170.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.43 35.58 92.13 Favored Glycine 0 N--CA 1.477 1.389 0 CA-C-O 117.939 -1.478 . . . . 59.479999999999997 112.655 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -79.08 153.8 29.9 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.919 1.288 . . . . 62.159999999999997 109.231 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 p -98.5 103.34 15.28 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.326 1.45 . . . . 71.700000000000003 108.571 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.3 p -92.64 147.95 22.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.367 1.467 . . . . 70.120000000000005 110.468 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.2 m -87.78 156.32 52.8 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 124.85 1.344 . . . . 65.989999999999995 108.171 171.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.93 147.55 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.534 1.489 . . . . 66.75 112.082 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.16 142.37 57.67 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.796 1.239 . . . . 68.200000000000003 108.552 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.3 p -130.85 148.0 52.57 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.048 1.339 . . . . 59.57 109.865 -175.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -124.78 139.52 53.77 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.407 1.483 . . . . 80.510000000000005 110.061 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 125.501 1.52 . . . . 77.230000000000004 109.738 170.779 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_