data_1shb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1shb _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 N-CA-C 113.544 0.942 . . . . 79.5 113.544 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.45 -73.86 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 121.255 3.798 . . . . 76.37 121.255 169.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -33.29 -40.39 0.06 Allowed 'General case' 0 C--O 1.247 0.931 1 N-CA-C 121.967 4.062 . . . . 41.91 121.967 -172.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -91.17 -7.92 50.09 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.431 -2.168 . . . . 31.75 114.081 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -97.06 114.26 25.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 122.55 1.167 . . . . 33.09 108.954 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -103.27 12.16 35.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.338 -1.301 . . . . 33.75 111.662 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.9 -128.87 21.94 Favored Glycine 0 C--N 1.353 1.479 0 N-CA-C 117.548 1.779 . . . . 26.74 117.548 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -83.56 77.32 9.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 122.797 1.284 . . . . 63.26 114.256 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.01 158.63 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.638 -2.727 . . . . 36.43 103.638 168.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.324 0.4 OUTLIER -86.96 155.51 20.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.847 -1.524 . . . . 36.04 111.639 -172.98 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -46.92 -43.11 18.7 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.089 1.768 . . . . 33.05 112.207 171.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -42.38 91.62 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.027 1.331 . . . . 97.23 111.572 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.29 -34.23 72.51 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 118.911 -1.116 . . . . 72.14 113.24 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 p -66.21 -36.4 82.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.028 -1.101 . . . . 25.13 108.028 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.82 -38.18 76.48 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 118.35 -0.833 . . . . 47.91 112.015 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.49 -52.9 63.51 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.297 -1.001 . . . . 60.3 108.297 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.66 -40.45 94.97 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 116.911 2.189 . . . . 28.0 116.911 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -27.96 43.18 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.712 2.116 . . . . 33.1 116.712 -177.384 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 8.71 4.84 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.239 0.962 . . . . 33.83 112.88 -178.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.07 115.95 23.44 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 107.211 -1.403 . . . . 45.87 107.211 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.04 -12.63 30.7 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 125.148 3.898 . . . . 39.47 116.366 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.26 -27.75 53.29 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.391 -2.186 . . . . 71.03 111.004 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.64 118.97 59.48 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.171 1.545 . . . . 35.22 115.171 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -54.23 169.89 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 123.501 2.8 . . . . 30.72 115.052 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -71.48 134.21 46.39 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 116.674 -1.632 . . . . 55.04 108.129 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.69 66.85 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 124.167 0.917 . . . . 23.42 113.922 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -68.95 137.83 54.09 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.438 -1.69 . . . . 26.05 106.438 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -147.24 170.72 16.66 Favored 'General case' 0 CA--C 1.485 -1.543 0 C-N-CA 118.631 -1.228 . . . . 24.48 111.232 -169.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.06 157.58 36.33 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 126.631 2.457 . . . . 20.0 107.463 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -115.46 136.48 52.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 114.075 -1.421 . . . . 20.48 107.443 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -141.03 172.0 13.28 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.82 -1.536 . . . . 24.32 108.0 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.19 145.58 39.73 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.047 -0.979 . . . . 43.16 112.227 171.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -75.95 139.17 41.43 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 118.174 -2.829 . . . . 44.14 112.899 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.46 -43.21 33.13 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 122.996 1.379 . . . . 46.43 111.389 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -74.17 -35.72 64.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 117.056 2.243 . . . . 44.86 117.056 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 m -119.76 106.77 12.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 125.819 2.723 . . . . 51.62 104.536 -176.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -77.58 134.19 38.3 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 110.155 -3.202 . . . . 101.39 106.642 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.89 -5.61 83.26 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-N 114.464 -1.244 . . . . 36.06 112.037 -172.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.14 164.91 12.36 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 120.734 2.267 . . . . 27.79 112.755 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -110.84 172.27 6.97 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.717 1.377 . . . . 41.88 114.717 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.8 t -137.0 135.77 37.9 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.762 -1.211 . . . . 31.72 113.783 173.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -99.25 112.73 24.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 106.237 -1.764 . . . . 16.07 106.237 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -110.23 125.81 53.48 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.349 -1.31 . . . . 20.33 108.367 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 t -137.65 136.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 CA-C-N 120.526 1.512 . . . . 22.65 109.537 -167.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -81.09 150.63 28.69 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 124.32 2.01 . . . . 23.67 109.96 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -145.71 178.61 8.02 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 112.96 -1.927 . . . . 30.47 109.675 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -147.64 138.81 23.6 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 123.998 0.811 . . . . 40.27 111.156 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -117.14 134.58 54.59 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 104.324 -2.472 . . . . 52.09 104.324 171.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -58.91 -38.18 78.32 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 118.888 0.767 . . . . 47.58 111.016 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.14 -30.27 28.0 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.673 1.731 . . . . 29.24 115.673 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.96 -18.31 13.95 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 115.14 1.533 . . . . 76.25 115.14 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.25 -157.92 33.86 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 123.139 1.41 . . . . 23.75 114.639 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.66 132.92 10.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 129.006 2.922 . . . . 31.2 115.096 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -156.67 163.26 39.51 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.313 -0.995 . . . . 32.67 108.313 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.61 128.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 123.807 0.692 . . . . 25.55 111.387 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -98.37 135.52 39.85 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.568 -0.901 . . . . 37.02 108.568 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.72 126.74 54.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 123.135 1.445 . . . . 21.85 109.202 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -121.22 129.05 53.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.226 -1.768 . . . . 21.39 106.226 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -79.54 128.99 34.05 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.861 -0.792 . . . . 43.89 108.861 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.52 113.86 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 102.164 -3.272 . . . . 25.54 102.164 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -94.93 151.17 19.42 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 122.369 1.081 . . . . 77.02 110.741 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -113.5 121.38 44.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.609 -0.723 . . . . 66.43 110.961 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.58 160.82 31.81 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 119.9 1.227 . . . . 43.77 110.087 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.34 -39.11 89.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.473 1.109 . . . . 73.72 113.06 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.0 p -55.85 -25.39 41.93 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 126.802 2.041 . . . . 43.38 113.932 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.98 -20.03 8.18 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 118.896 -0.946 . . . . 40.54 115.168 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.13 167.7 51.31 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 121.365 2.583 . . . . 34.46 116.061 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -123.53 147.22 47.46 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.409 1.484 . . . . 27.15 110.039 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -162.46 144.57 10.81 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 125.657 2.646 . . . . 39.94 110.943 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.8 mt -89.99 -48.89 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 103.424 -2.806 . . . . 27.41 103.424 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.9 p -116.29 139.29 50.54 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 104.717 -2.327 . . . . 43.27 104.717 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.5 p -59.97 -21.43 61.22 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.984 1.105 . . . . 49.45 113.984 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -53.93 -27.71 32.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 116.095 1.887 . . . . 42.42 116.095 169.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.1 m -140.67 103.45 4.52 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.861 -2.274 . . . . 27.07 104.861 -171.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -109.23 150.57 27.74 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 114.607 -1.179 . . . . 33.29 111.012 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -132.19 150.68 52.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.466 0.65 . . . . 26.08 112.427 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -85.21 -12.68 52.04 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.97 -1.081 . . . . 28.74 113.244 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -152.92 157.83 41.21 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 120.108 -1.62 . . . . 25.01 109.19 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.37 -33.93 76.82 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 124.632 1.207 . . . . 24.73 110.204 176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -30.54 71.6 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 122.503 2.411 . . . . 67.99 111.871 179.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -75.22 -37.19 61.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.788 0.722 . . . . 55.51 110.524 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.08 -45.35 93.18 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.621 -0.705 . . . . 20.4 110.622 173.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.25 -48.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 120.542 1.519 . . . . 19.44 108.17 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.86 76.41 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 118.156 -2.84 . . . . 21.66 112.418 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.05 -50.45 64.1 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 119.553 -1.967 . . . . 27.61 111.468 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -75.4 -9.81 58.9 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 120.628 -1.295 . . . . 20.18 113.195 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.7 m -70.89 -21.07 62.44 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 119.02 -2.3 . . . . 25.85 113.667 167.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -113.23 -22.09 10.65 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 114.257 -1.338 . . . . 63.78 113.43 -175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -137.67 123.79 20.38 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 125.291 1.619 . . . . 36.61 107.731 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.56 71.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.584 1.993 . . . . 23.92 108.767 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.9 t0 27.58 57.62 0.09 Allowed 'General case' 0 C--O 1.239 0.533 0 N-CA-C 117.165 2.283 . . . . 33.03 117.165 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.16 -30.22 7.49 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 113.456 -1.702 . . . . 26.94 115.887 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 mp -70.4 157.09 38.41 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.569 1.548 . . . . 27.14 108.259 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -54.01 -34.97 61.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.696 1.198 . . . . 41.56 111.794 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -166.44 154.96 10.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.738 -2.319 . . . . 24.4 104.738 -174.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 150.43 48.77 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.073 2.149 . . . . 43.69 107.457 177.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.17 122.04 27.86 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 107.227 -1.397 . . . . 20.97 107.227 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -111.16 -78.34 0.59 Allowed 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.374 -0.973 . . . . 36.48 108.374 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.09 143.15 29.9 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 120.541 3.534 . . . . 60.55 120.541 178.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.1 t -81.21 139.12 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 106.591 -1.633 . . . . 29.11 106.591 169.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.1 t -65.45 130.93 94.79 Favored Pre-proline 0 C--O 1.245 0.846 0 O-C-N 121.687 -0.633 . . . . 39.08 111.555 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -62.92 145.97 94.7 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 C-N-CA 124.77 3.647 . . . . 53.68 118.477 170.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.49 1.554 2 CA-C-N 104.29 -5.868 . . . . 100.09 122.071 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.08 158.68 21.33 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 121.454 1.934 . . . . 28.47 110.951 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -84.81 130.03 34.73 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.51 -1.223 . . . . 80.08 107.895 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.96 141.73 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 123.179 2.718 . . . . 33.77 108.73 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.315 2 N-CA-C 130.888 7.366 . . . . 66.32 130.888 167.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 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 ' 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 ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 N-CA-C 113.544 0.942 . . . . 79.5 113.544 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.45 -73.86 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 121.255 3.798 . . . . 76.37 121.255 169.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.629 ' HG2' HG11 ' A' ' 101' ' ' VAL . 37.6 tt0 -33.29 -40.39 0.06 Allowed 'General case' 0 C--O 1.247 0.931 1 N-CA-C 121.967 4.062 . . . . 41.91 121.967 -172.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' HB3' HG22 ' A' ' 101' ' ' VAL . 18.0 p-90 -91.17 -7.92 50.09 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.431 -2.168 . . . . 31.75 114.081 -179.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -97.06 114.26 25.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 122.55 1.167 . . . . 33.09 108.954 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -103.27 12.16 35.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.338 -1.301 . . . . 33.75 111.662 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.9 -128.87 21.94 Favored Glycine 0 C--N 1.353 1.479 0 N-CA-C 117.548 1.779 . . . . 26.74 117.548 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -83.56 77.32 9.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 122.797 1.284 . . . . 63.26 114.256 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.01 158.63 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.638 -2.727 . . . . 36.43 103.638 168.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 14' ' ' GLU 0.324 0.4 OUTLIER -86.96 155.51 20.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.847 -1.524 . . . . 36.04 111.639 -172.98 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -46.92 -43.11 18.7 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.089 1.768 . . . . 33.05 112.207 171.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -42.38 91.62 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.027 1.331 . . . . 97.23 111.572 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.781 ' H ' HG22 ' A' ' 11' ' ' THR . 5.7 mm-40 -70.29 -34.23 72.51 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 118.911 -1.116 . . . . 72.14 113.24 174.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 p -66.21 -36.4 82.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.028 -1.101 . . . . 25.13 108.028 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 17.8 mt-10 -69.82 -38.18 76.48 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 118.35 -0.833 . . . . 47.91 112.015 176.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.49 -52.9 63.51 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.297 -1.001 . . . . 60.3 108.297 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.66 -40.45 94.97 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 116.911 2.189 . . . . 28.0 116.911 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -79.04 -27.96 43.18 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.712 2.116 . . . . 33.1 116.712 -177.384 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -78.57 8.71 4.84 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.239 0.962 . . . . 33.83 112.88 -178.207 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.07 115.95 23.44 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 107.211 -1.403 . . . . 45.87 107.211 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.04 -12.63 30.7 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 125.148 3.898 . . . . 39.47 116.366 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.26 -27.75 53.29 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.391 -2.186 . . . . 71.03 111.004 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.64 118.97 59.48 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.171 1.545 . . . . 35.22 115.171 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -54.23 169.89 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 123.501 2.8 . . . . 30.72 115.052 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -71.48 134.21 46.39 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 116.674 -1.632 . . . . 55.04 108.129 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.69 66.85 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 124.167 0.917 . . . . 23.42 113.922 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -68.95 137.83 54.09 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.438 -1.69 . . . . 26.05 106.438 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -147.24 170.72 16.66 Favored 'General case' 0 CA--C 1.485 -1.543 0 C-N-CA 118.631 -1.228 . . . . 24.48 111.232 -169.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.06 157.58 36.33 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 126.631 2.457 . . . . 20.0 107.463 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -115.46 136.48 52.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 114.075 -1.421 . . . . 20.48 107.443 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -141.03 172.0 13.28 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.82 -1.536 . . . . 24.32 108.0 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.19 145.58 39.73 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.047 -0.979 . . . . 43.16 112.227 171.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -75.95 139.17 41.43 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 118.174 -2.829 . . . . 44.14 112.899 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.46 -43.21 33.13 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 122.996 1.379 . . . . 46.43 111.389 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -74.17 -35.72 64.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 117.056 2.243 . . . . 44.86 117.056 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 m -119.76 106.77 12.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 125.819 2.723 . . . . 51.62 104.536 -176.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -77.58 134.19 38.3 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 110.155 -3.202 . . . . 101.39 106.642 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.89 -5.61 83.26 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-N 114.464 -1.244 . . . . 36.06 112.037 -172.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.14 164.91 12.36 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 120.734 2.267 . . . . 27.79 112.755 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 95.5 m-85 -110.84 172.27 6.97 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.717 1.377 . . . . 41.88 114.717 177.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.8 t -137.0 135.77 37.9 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.762 -1.211 . . . . 31.72 113.783 173.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -99.25 112.73 24.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 106.237 -1.764 . . . . 16.07 106.237 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -110.23 125.81 53.48 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.349 -1.31 . . . . 20.33 108.367 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 t -137.65 136.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 CA-C-N 120.526 1.512 . . . . 22.65 109.537 -167.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -81.09 150.63 28.69 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 124.32 2.01 . . . . 23.67 109.96 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -145.71 178.61 8.02 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 112.96 -1.927 . . . . 30.47 109.675 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -147.64 138.81 23.6 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 123.998 0.811 . . . . 40.27 111.156 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -117.14 134.58 54.59 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 104.324 -2.472 . . . . 52.09 104.324 171.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -58.91 -38.18 78.32 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 118.888 0.767 . . . . 47.58 111.016 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.14 -30.27 28.0 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.673 1.731 . . . . 29.24 115.673 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.96 -18.31 13.95 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 115.14 1.533 . . . . 76.25 115.14 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.25 -157.92 33.86 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 123.139 1.41 . . . . 23.75 114.639 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.66 132.92 10.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 129.006 2.922 . . . . 31.2 115.096 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -156.67 163.26 39.51 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.313 -0.995 . . . . 32.67 108.313 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.61 128.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 123.807 0.692 . . . . 25.55 111.387 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -98.37 135.52 39.85 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.568 -0.901 . . . . 37.02 108.568 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.72 126.74 54.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 123.135 1.445 . . . . 21.85 109.202 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -121.22 129.05 53.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.226 -1.768 . . . . 21.39 106.226 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -79.54 128.99 34.05 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.861 -0.792 . . . . 43.89 108.861 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 41' ' ' TYR . 94.9 mt -100.52 113.86 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 102.164 -3.272 . . . . 25.54 102.164 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -94.93 151.17 19.42 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 122.369 1.081 . . . . 77.02 110.741 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -113.5 121.38 44.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.609 -0.723 . . . . 66.43 110.961 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.58 160.82 31.81 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 119.9 1.227 . . . . 43.77 110.087 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.34 -39.11 89.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.473 1.109 . . . . 73.72 113.06 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.0 p -55.85 -25.39 41.93 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 126.802 2.041 . . . . 43.38 113.932 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.98 -20.03 8.18 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 118.896 -0.946 . . . . 40.54 115.168 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.13 167.7 51.31 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 121.365 2.583 . . . . 34.46 116.061 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -123.53 147.22 47.46 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.409 1.484 . . . . 27.15 110.039 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -162.46 144.57 10.81 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 125.657 2.646 . . . . 39.94 110.943 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.8 mt -89.99 -48.89 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 103.424 -2.806 . . . . 27.41 103.424 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.9 p -116.29 139.29 50.54 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 104.717 -2.327 . . . . 43.27 104.717 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.5 p -59.97 -21.43 61.22 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.984 1.105 . . . . 49.45 113.984 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . 0.534 HH11 ' HB2' ' B' ' 205' ' ' ALA . 27.6 mtp180 -53.93 -27.71 32.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 116.095 1.887 . . . . 42.42 116.095 169.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . 0.413 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 12.1 m -140.67 103.45 4.52 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.861 -2.274 . . . . 27.07 104.861 -171.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -109.23 150.57 27.74 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 114.607 -1.179 . . . . 33.29 111.012 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' CZ ' HG22 ' A' ' 75' ' ' THR . 47.3 m-85 -132.19 150.68 52.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.466 0.65 . . . . 26.08 112.427 -174.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -85.21 -12.68 52.04 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.97 -1.081 . . . . 28.74 113.244 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -152.92 157.83 41.21 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 120.108 -1.62 . . . . 25.01 109.19 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.37 -33.93 76.82 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 124.632 1.207 . . . . 24.73 110.204 176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -30.54 71.6 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 122.503 2.411 . . . . 67.99 111.871 179.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -75.22 -37.19 61.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.788 0.722 . . . . 55.51 110.524 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.08 -45.35 93.18 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.621 -0.705 . . . . 20.4 110.622 173.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.25 -48.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 120.542 1.519 . . . . 19.44 108.17 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.86 76.41 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 118.156 -2.84 . . . . 21.66 112.418 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.05 -50.45 64.1 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 119.553 -1.967 . . . . 27.61 111.468 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 90' ' ' HIS . 37.4 m-85 -75.4 -9.81 58.9 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 120.628 -1.295 . . . . 20.18 113.195 -177.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.7 m -70.89 -21.07 62.44 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 119.02 -2.3 . . . . 25.85 113.667 167.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 89' ' ' LYS . 8.5 mmpt? -113.23 -22.09 10.65 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 114.257 -1.338 . . . . 63.78 113.43 -175.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 87' ' ' TYR . 49.7 m-70 -137.67 123.79 20.38 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 125.291 1.619 . . . . 36.61 107.731 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.56 71.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.584 1.993 . . . . 23.92 108.767 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.9 t0 27.58 57.62 0.09 Allowed 'General case' 0 C--O 1.239 0.533 0 N-CA-C 117.165 2.283 . . . . 33.03 117.165 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.16 -30.22 7.49 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 113.456 -1.702 . . . . 26.94 115.887 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 mp -70.4 157.09 38.41 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.569 1.548 . . . . 27.14 108.259 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 309' ' ' HOH . 27.2 p -54.01 -34.97 61.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.696 1.198 . . . . 41.56 111.794 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -166.44 154.96 10.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.738 -2.319 . . . . 24.4 104.738 -174.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 150.43 48.77 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.073 2.149 . . . . 43.69 107.457 177.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.17 122.04 27.86 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 107.227 -1.397 . . . . 20.97 107.227 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -111.16 -78.34 0.59 Allowed 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.374 -0.973 . . . . 36.48 108.374 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.09 143.15 29.9 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 120.541 3.534 . . . . 60.55 120.541 178.274 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 4' ' ' GLU . 4.1 t -81.21 139.12 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 106.591 -1.633 . . . . 29.11 106.591 169.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 19' ' ' LEU . 14.1 t -65.45 130.93 94.79 Favored Pre-proline 0 C--O 1.245 0.846 0 O-C-N 121.687 -0.633 . . . . 39.08 111.555 -179.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -62.92 145.97 94.7 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 C-N-CA 124.77 3.647 . . . . 53.68 118.477 170.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.49 1.554 2 CA-C-N 104.29 -5.868 . . . . 100.09 122.071 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.08 158.68 21.33 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 121.454 1.934 . . . . 28.47 110.951 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -84.81 130.03 34.73 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.51 -1.223 . . . . 80.08 107.895 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.96 141.73 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 123.179 2.718 . . . . 33.77 108.73 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' ALA . . . . . 0.534 ' HB2' HH11 ' A' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.254 1.315 2 N-CA-C 130.888 7.366 . . . . 66.32 130.888 167.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 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 . . . . . 0.462 ' O ' ' HB3' ' A' ' 95' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 N-CA-C 113.544 0.942 . . . . 79.5 113.544 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.45 -73.86 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 121.255 3.798 . . . . 76.370000000000005 121.255 169.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.629 ' HG2' HG11 ' A' ' 101' ' ' VAL . 37.6 tt0 -33.29 -40.39 0.06 Allowed 'General case' 0 C--O 1.247 0.931 1 N-CA-C 121.967 4.062 . . . . 41.909999999999997 121.967 -172.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' HB3' HG22 ' A' ' 101' ' ' VAL . 18.0 p-90 -91.17 -7.92 50.09 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.431 -2.168 . . . . 31.75 114.081 -179.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -97.06 114.26 25.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 122.55 1.167 . . . . 33.090000000000003 108.954 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -103.27 12.16 35.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.338 -1.301 . . . . 33.75 111.662 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.9 -128.87 21.94 Favored Glycine 0 C--N 1.353 1.479 0 N-CA-C 117.548 1.779 . . . . 26.739999999999998 117.548 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -83.56 77.32 9.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 122.797 1.284 . . . . 63.259999999999998 114.256 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.01 158.63 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.638 -2.727 . . . . 36.43 103.638 168.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 14' ' ' GLU 0.324 0.4 OUTLIER -86.96 155.51 20.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.847 -1.524 . . . . 36.039999999999999 111.639 -172.98 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -46.92 -43.11 18.7 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.089 1.768 . . . . 33.049999999999997 112.207 171.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -42.38 91.62 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.027 1.331 . . . . 97.230000000000004 111.572 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.781 ' H ' HG22 ' A' ' 11' ' ' THR . 5.7 mm-40 -70.29 -34.23 72.51 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 118.911 -1.116 . . . . 72.140000000000001 113.24 174.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 p -66.21 -36.4 82.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.028 -1.101 . . . . 25.129999999999999 108.028 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 17.8 mt-10 -69.82 -38.18 76.48 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 118.35 -0.833 . . . . 47.909999999999997 112.015 176.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.49 -52.9 63.51 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.297 -1.001 . . . . 60.299999999999997 108.297 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.66 -40.45 94.97 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 116.911 2.189 . . . . 28.0 116.911 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -79.04 -27.96 43.18 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.712 2.116 . . . . 33.100000000000001 116.712 -177.384 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -78.57 8.71 4.84 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.239 0.962 . . . . 33.829999999999998 112.88 -178.207 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.07 115.95 23.44 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 107.211 -1.403 . . . . 45.869999999999997 107.211 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.04 -12.63 30.7 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 125.148 3.898 . . . . 39.469999999999999 116.366 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.26 -27.75 53.29 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.391 -2.186 . . . . 71.030000000000001 111.004 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.64 118.97 59.48 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.171 1.545 . . . . 35.219999999999999 115.171 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -54.23 169.89 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 123.501 2.8 . . . . 30.719999999999999 115.052 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -71.48 134.21 46.39 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 116.674 -1.632 . . . . 55.039999999999999 108.129 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.69 66.85 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 124.167 0.917 . . . . 23.420000000000002 113.922 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -68.95 137.83 54.09 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.438 -1.69 . . . . 26.050000000000001 106.438 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -147.24 170.72 16.66 Favored 'General case' 0 CA--C 1.485 -1.543 0 C-N-CA 118.631 -1.228 . . . . 24.48 111.232 -169.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.06 157.58 36.33 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 126.631 2.457 . . . . 20.0 107.463 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -115.46 136.48 52.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 114.075 -1.421 . . . . 20.48 107.443 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -141.03 172.0 13.28 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.82 -1.536 . . . . 24.32 108.0 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.19 145.58 39.73 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.047 -0.979 . . . . 43.159999999999997 112.227 171.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -75.95 139.17 41.43 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 118.174 -2.829 . . . . 44.140000000000001 112.899 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.46 -43.21 33.13 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 122.996 1.379 . . . . 46.43 111.389 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -74.17 -35.72 64.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 117.056 2.243 . . . . 44.859999999999999 117.056 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 m -119.76 106.77 12.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 125.819 2.723 . . . . 51.619999999999997 104.536 -176.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -77.58 134.19 38.3 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 110.155 -3.202 . . . . 101.39 106.642 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.89 -5.61 83.26 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-N 114.464 -1.244 . . . . 36.060000000000002 112.037 -172.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.14 164.91 12.36 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 120.734 2.267 . . . . 27.789999999999999 112.755 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 95.5 m-85 -110.84 172.27 6.97 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.717 1.377 . . . . 41.880000000000003 114.717 177.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.8 t -137.0 135.77 37.9 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.762 -1.211 . . . . 31.719999999999999 113.783 173.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -99.25 112.73 24.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 106.237 -1.764 . . . . 16.07 106.237 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -110.23 125.81 53.48 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.349 -1.31 . . . . 20.329999999999998 108.367 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 t -137.65 136.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 CA-C-N 120.526 1.512 . . . . 22.649999999999999 109.537 -167.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -81.09 150.63 28.69 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 124.32 2.01 . . . . 23.670000000000002 109.96 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -145.71 178.61 8.02 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 112.96 -1.927 . . . . 30.469999999999999 109.675 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -147.64 138.81 23.6 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 123.998 0.811 . . . . 40.270000000000003 111.156 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -117.14 134.58 54.59 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 104.324 -2.472 . . . . 52.090000000000003 104.324 171.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -58.91 -38.18 78.32 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 118.888 0.767 . . . . 47.579999999999998 111.016 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.14 -30.27 28.0 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.673 1.731 . . . . 29.239999999999998 115.673 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.96 -18.31 13.95 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 115.14 1.533 . . . . 76.25 115.14 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.25 -157.92 33.86 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 123.139 1.41 . . . . 23.75 114.639 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.66 132.92 10.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 129.006 2.922 . . . . 31.199999999999999 115.096 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -156.67 163.26 39.51 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.313 -0.995 . . . . 32.670000000000002 108.313 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.61 128.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 123.807 0.692 . . . . 25.550000000000001 111.387 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -98.37 135.52 39.85 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.568 -0.901 . . . . 37.020000000000003 108.568 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.72 126.74 54.48 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 123.135 1.445 . . . . 21.850000000000001 109.202 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -121.22 129.05 53.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.226 -1.768 . . . . 21.390000000000001 106.226 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -79.54 128.99 34.05 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.861 -0.792 . . . . 43.890000000000001 108.861 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 41' ' ' TYR . 94.9 mt -100.52 113.86 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 102.164 -3.272 . . . . 25.539999999999999 102.164 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -94.93 151.17 19.42 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 122.369 1.081 . . . . 77.019999999999996 110.741 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -113.5 121.38 44.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.609 -0.723 . . . . 66.430000000000007 110.961 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.58 160.82 31.81 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 119.9 1.227 . . . . 43.770000000000003 110.087 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.34 -39.11 89.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.473 1.109 . . . . 73.719999999999999 113.06 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.0 p -55.85 -25.39 41.93 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 126.802 2.041 . . . . 43.380000000000003 113.932 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.98 -20.03 8.18 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 118.896 -0.946 . . . . 40.539999999999999 115.168 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.13 167.7 51.31 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 121.365 2.583 . . . . 34.460000000000001 116.061 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -123.53 147.22 47.46 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.409 1.484 . . . . 27.149999999999999 110.039 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -162.46 144.57 10.81 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 125.657 2.646 . . . . 39.939999999999998 110.943 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.8 mt -89.99 -48.89 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 103.424 -2.806 . . . . 27.41 103.424 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.9 p -116.29 139.29 50.54 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 104.717 -2.327 . . . . 43.270000000000003 104.717 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.5 p -59.97 -21.43 61.22 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.984 1.105 . . . . 49.450000000000003 113.984 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.534 HH11 ' HB2' ' B' ' 205' ' ' ALA . 27.6 mtp180 -53.93 -27.71 32.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 116.095 1.887 . . . . 42.420000000000002 116.095 169.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . 0.413 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 12.1 m -140.67 103.45 4.52 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.861 -2.274 . . . . 27.07 104.861 -171.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -109.23 150.57 27.74 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 114.607 -1.179 . . . . 33.289999999999999 111.012 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' CZ ' HG22 ' A' ' 75' ' ' THR . 47.3 m-85 -132.19 150.68 52.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.466 0.65 . . . . 26.079999999999998 112.427 -174.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -85.21 -12.68 52.04 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.97 -1.081 . . . . 28.739999999999998 113.244 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -152.92 157.83 41.21 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 120.108 -1.62 . . . . 25.010000000000002 109.19 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.37 -33.93 76.82 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 124.632 1.207 . . . . 24.73 110.204 176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -30.54 71.6 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 122.503 2.411 . . . . 67.989999999999995 111.871 179.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -75.22 -37.19 61.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.788 0.722 . . . . 55.509999999999998 110.524 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.08 -45.35 93.18 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.621 -0.705 . . . . 20.399999999999999 110.622 173.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.25 -48.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 120.542 1.519 . . . . 19.440000000000001 108.17 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.86 76.41 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 118.156 -2.84 . . . . 21.66 112.418 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.05 -50.45 64.1 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 119.553 -1.967 . . . . 27.609999999999999 111.468 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 90' ' ' HIS . 37.4 m-85 -75.4 -9.81 58.9 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 120.628 -1.295 . . . . 20.18 113.195 -177.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.7 m -70.89 -21.07 62.44 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 119.02 -2.3 . . . . 25.850000000000001 113.667 167.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' A' ' 89' ' ' LYS . 8.5 mmpt? -113.23 -22.09 10.65 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 114.257 -1.338 . . . . 63.780000000000001 113.43 -175.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 87' ' ' TYR . 49.7 m-70 -137.67 123.79 20.38 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 125.291 1.619 . . . . 36.609999999999999 107.731 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.56 71.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.584 1.993 . . . . 23.920000000000002 108.767 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.9 t0 27.58 57.62 0.09 Allowed 'General case' 0 C--O 1.239 0.533 0 N-CA-C 117.165 2.283 . . . . 33.030000000000001 117.165 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.16 -30.22 7.49 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 113.456 -1.702 . . . . 26.940000000000001 115.887 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 mp -70.4 157.09 38.41 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.569 1.548 . . . . 27.140000000000001 108.259 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 309' ' ' HOH . 27.2 p -54.01 -34.97 61.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.696 1.198 . . . . 41.560000000000002 111.794 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 9.9 t60 -166.44 154.96 10.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.738 -2.319 . . . . 24.399999999999999 104.738 -174.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' O ' ' HD2' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -66.17 150.43 48.77 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.073 2.149 . . . . 43.689999999999998 107.457 177.793 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.17 122.04 27.86 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 107.227 -1.397 . . . . 20.969999999999999 107.227 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -111.16 -78.34 0.59 Allowed 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.374 -0.973 . . . . 36.479999999999997 108.374 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.09 143.15 29.9 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 120.541 3.534 . . . . 60.549999999999997 120.541 178.274 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 4' ' ' GLU . 4.1 t -81.21 139.12 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 106.591 -1.633 . . . . 29.109999999999999 106.591 169.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 19' ' ' LEU . 14.1 t -65.45 130.93 94.79 Favored Pre-proline 0 C--O 1.245 0.846 0 O-C-N 121.687 -0.633 . . . . 39.079999999999998 111.555 -179.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -62.92 145.97 94.7 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 C-N-CA 124.77 3.647 . . . . 53.68 118.477 170.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.49 1.554 2 CA-C-N 104.29 -5.868 . . . . 100.09 122.071 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.08 158.68 21.33 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 121.454 1.934 . . . . 28.469999999999999 110.951 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -84.81 130.03 34.73 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.51 -1.223 . . . . 80.079999999999998 107.895 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.96 141.73 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 123.179 2.718 . . . . 33.770000000000003 108.73 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' ALA . . . . . 0.534 ' HB2' HH11 ' A' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.254 1.315 2 N-CA-C 130.888 7.366 . . . . 66.319999999999993 130.888 167.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 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 . . . . . 0.462 ' O ' ' HB3' ' A' ' 95' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_