data_1shg_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 1shg _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 ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 109.539 -0.541 . . . . 100.0 109.539 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' A' ' 60' ' ' LYS . 4.7 mt-10 -54.4 139.07 38.24 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 124.291 0.995 . . . . 100.0 110.326 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -112.25 149.56 32.16 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.035 -1.893 . . . . 30.7 108.689 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -132.21 157.54 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 106.318 -1.734 . . . . 27.0 106.318 171.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -103.69 137.65 41.43 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 112.927 -1.942 . . . . 23.93 106.979 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 116.45 15.18 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 123.92 0.763 . . . . 29.01 109.316 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -83.25 -20.95 33.56 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.467 -1.693 . . . . 31.27 112.869 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -145.88 160.42 41.82 Favored 'General case' 0 CA--C 1.464 -2.345 0 O-C-N 120.263 -1.523 . . . . 38.03 109.602 -176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.261 28.2 m-20 -65.38 145.53 56.05 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 114.845 -1.07 . . . . 63.64 108.776 169.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -147.21 117.76 7.49 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 124.429 1.081 . . . . 29.68 109.435 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -100.97 131.31 46.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 124.0 1.857 . . . . 86.37 109.545 178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.9 146.34 53.12 Favored 'General case' 0 C--N 1.276 -2.594 0 C-N-CA 117.066 -1.853 . . . . 45.1 110.913 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -125.74 6.17 7.44 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 123.966 1.841 . . . . 73.13 114.83 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.94 162.21 27.69 Favored Pre-proline 0 N--CA 1.431 -1.422 0 O-C-N 119.129 -2.232 . . . . 31.09 107.726 -173.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -54.96 -36.62 92.69 Favored 'Trans proline' 0 N--CA 1.428 -2.369 0 N-CA-C 116.579 1.723 . . . . 34.89 116.579 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -91.1 3.35 55.0 Favored 'General case' 0 N--CA 1.414 -2.226 0 C-N-CA 114.779 -2.768 . . . . 53.29 111.242 -172.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -92.46 159.35 15.57 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 124.694 1.246 . . . . 26.36 113.723 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.3 164.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 117.464 -1.694 . . . . 25.58 109.864 173.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -99.38 147.49 25.18 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 119.044 -1.062 . . . . 25.78 108.146 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -144.05 163.84 32.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.814 -1.18 . . . . 30.55 107.814 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.15 146.27 44.3 Favored 'General case' 0 CA--C 1.49 -1.328 0 C-N-CA 125.843 1.657 . . . . 71.42 108.957 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.28 129.99 22.32 Favored 'General case' 0 N--CA 1.415 -2.214 0 CA-C-N 113.572 -1.649 . . . . 70.77 109.537 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.27 -9.28 77.96 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-O 118.946 -0.919 . . . . 29.78 114.504 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.01 142.31 51.55 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 122.827 1.298 . . . . 33.65 110.842 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.0 mm -104.6 114.51 44.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 N-CA-C 104.797 -2.297 . . . . 23.84 104.797 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.2 mt -110.12 157.66 19.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 117.978 -1.489 . . . . 33.73 108.32 -173.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.5 m -96.24 123.32 39.83 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.701 1.876 . . . . 29.57 107.427 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -76.85 120.5 22.08 Favored 'General case' 0 C--O 1.26 1.627 0 O-C-N 124.876 1.36 . . . . 29.71 109.794 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -93.47 -41.97 9.5 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.588 0.959 . . . . 36.62 113.588 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -156.89 126.61 6.23 Favored 'General case' 0 CA--C 1.483 -1.604 0 C-N-CA 115.976 -2.29 . . . . 26.29 106.572 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -122.56 28.78 7.19 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.658 -0.817 . . . . 33.61 111.312 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.7 p -67.32 -33.68 75.77 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 114.363 1.246 . . . . 26.46 114.363 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.63 134.59 36.44 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 121.649 0.738 . . . . 27.42 112.046 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -21.89 62.68 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.226 1.013 . . . . 70.43 112.757 -177.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -106.43 -30.06 9.33 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 115.08 -2.648 . . . . 36.52 115.49 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -126.1 124.78 41.35 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 124.582 1.176 . . . . 32.15 108.372 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -109.99 138.46 46.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 112.911 0.708 . . . . 28.11 112.911 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -90.95 129.22 36.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 118.773 -1.171 . . . . 47.06 109.282 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.65 170.94 18.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 126.767 3.175 . . . . 27.17 110.728 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -122.34 125.72 46.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 112.349 -2.205 . . . . 47.84 105.104 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.4 t -125.28 106.99 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.158 0 N-CA-C 102.423 -3.177 . . . . 38.86 102.423 -169.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 43.36 -90.1 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 128.084 3.365 . . . . 76.53 110.411 -156.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.817 ' N ' ' OD1' ' A' ' 48' ' ' ASP 0.453 3.9 p-10 -108.53 -10.27 15.27 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 128.919 2.888 . . . . 79.29 114.513 -171.376 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -108.63 148.99 29.55 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 116.699 -1.62 . . . . 70.57 109.896 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -115.99 145.9 42.57 Favored 'General case' 0 C--O 1.185 -2.32 0 O-C-N 124.199 0.937 . . . . 55.85 112.421 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.83 -175.7 41.4 Favored Glycine 0 C--N 1.302 -1.351 0 C-N-CA 116.639 -2.696 . . . . 25.02 110.447 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -95.03 145.24 25.09 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.315 1.969 . . . . 30.3 116.315 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.96 159.92 69.96 Favored Pre-proline 0 N--CA 1.424 -1.775 0 N-CA-C 106.939 -1.504 . . . . 22.24 106.939 168.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -63.46 129.05 24.03 Favored 'Trans proline' 0 CA--C 1.572 2.385 0 CA-C-O 123.363 1.318 . . . . 27.03 112.147 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.43 51.09 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 117.352 -1.308 . . . . 25.64 108.507 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.84 -17.3 61.56 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 117.463 -1.695 . . . . 27.45 112.057 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -91.71 8.19 38.13 Favored 'General case' 0 C--N 1.291 -1.977 1 C-N-CA 111.092 -4.243 . . . . 31.82 110.636 -173.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 m -123.98 153.66 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.219 0 O-C-N 124.585 1.178 . . . . 31.4 110.372 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -125.52 122.33 36.26 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.056 2.098 . . . . 77.4 111.086 176.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' CG ' ' OE1' ' A' ' 7' ' ' GLU . 0.5 OUTLIER -61.18 130.65 47.33 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.436 -0.802 . . . . 71.14 112.677 176.623 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -111.47 106.38 15.25 Favored 'General case' 0 CA--C 1.554 1.12 0 O-C-N 120.394 -1.442 . . . . 56.76 108.083 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.319 1.6 p-10 . . . . . 0 C--O 1.253 1.246 0 O-C-N 119.912 -1.742 . . . . 100.0 115.593 -169.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 109.539 -0.541 . . . . 100.0 109.539 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' A' ' 60' ' ' LYS . 4.7 mt-10 -54.4 139.07 38.24 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 124.291 0.995 . . . . 100.0 110.326 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -112.25 149.56 32.16 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.035 -1.893 . . . . 30.7 108.689 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 60' ' ' LYS . 13.1 m -132.21 157.54 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 106.318 -1.734 . . . . 27.0 106.318 171.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -103.69 137.65 41.43 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 112.927 -1.942 . . . . 23.93 106.979 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 116.45 15.18 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 123.92 0.763 . . . . 29.01 109.316 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -83.25 -20.95 33.56 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.467 -1.693 . . . . 31.27 112.869 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -145.88 160.42 41.82 Favored 'General case' 0 CA--C 1.464 -2.345 0 O-C-N 120.263 -1.523 . . . . 38.03 109.602 -176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.261 28.2 m-20 -65.38 145.53 56.05 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 114.845 -1.07 . . . . 63.64 108.776 169.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -147.21 117.76 7.49 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 124.429 1.081 . . . . 29.68 109.435 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.97 131.31 46.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 124.0 1.857 . . . . 86.37 109.545 178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.9 146.34 53.12 Favored 'General case' 0 C--N 1.276 -2.594 0 C-N-CA 117.066 -1.853 . . . . 45.1 110.913 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -125.74 6.17 7.44 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 123.966 1.841 . . . . 73.13 114.83 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.94 162.21 27.69 Favored Pre-proline 0 N--CA 1.431 -1.422 0 O-C-N 119.129 -2.232 . . . . 31.09 107.726 -173.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -54.96 -36.62 92.69 Favored 'Trans proline' 0 N--CA 1.428 -2.369 0 N-CA-C 116.579 1.723 . . . . 34.89 116.579 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -91.1 3.35 55.0 Favored 'General case' 0 N--CA 1.414 -2.226 0 C-N-CA 114.779 -2.768 . . . . 53.29 111.242 -172.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -92.46 159.35 15.57 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 124.694 1.246 . . . . 26.36 113.723 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG13 ' HA3' ' A' ' 51' ' ' GLY . 23.9 m -123.3 164.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 117.464 -1.694 . . . . 25.58 109.864 173.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -99.38 147.49 25.18 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 119.044 -1.062 . . . . 25.78 108.146 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -144.05 163.84 32.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.814 -1.18 . . . . 30.55 107.814 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.15 146.27 44.3 Favored 'General case' 0 CA--C 1.49 -1.328 0 C-N-CA 125.843 1.657 . . . . 71.42 108.957 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.28 129.99 22.32 Favored 'General case' 0 N--CA 1.415 -2.214 0 CA-C-N 113.572 -1.649 . . . . 70.77 109.537 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.27 -9.28 77.96 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-O 118.946 -0.919 . . . . 29.78 114.504 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.01 142.31 51.55 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 122.827 1.298 . . . . 33.65 110.842 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.0 mm -104.6 114.51 44.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 N-CA-C 104.797 -2.297 . . . . 23.84 104.797 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 46' ' ' VAL . 30.2 mt -110.12 157.66 19.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 117.978 -1.489 . . . . 33.73 108.32 -173.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.5 m -96.24 123.32 39.83 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.701 1.876 . . . . 29.57 107.427 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -76.85 120.5 22.08 Favored 'General case' 0 C--O 1.26 1.627 0 O-C-N 124.876 1.36 . . . . 29.71 109.794 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -93.47 -41.97 9.5 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.588 0.959 . . . . 36.62 113.588 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -156.89 126.61 6.23 Favored 'General case' 0 CA--C 1.483 -1.604 0 C-N-CA 115.976 -2.29 . . . . 26.29 106.572 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -122.56 28.78 7.19 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.658 -0.817 . . . . 33.61 111.312 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.7 p -67.32 -33.68 75.77 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 114.363 1.246 . . . . 26.46 114.363 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.63 134.59 36.44 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 121.649 0.738 . . . . 27.42 112.046 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HE2' ' OD1' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.53 -21.89 62.68 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.226 1.013 . . . . 70.43 112.757 -177.772 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' OD1' ' HE2' ' A' ' 39' ' ' LYS . 71.7 m-20 -106.43 -30.06 9.33 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 115.08 -2.648 . . . . 36.52 115.49 -176.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -126.1 124.78 41.35 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 124.582 1.176 . . . . 32.15 108.372 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -109.99 138.46 46.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 112.911 0.708 . . . . 28.11 112.911 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -90.95 129.22 36.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 118.773 -1.171 . . . . 47.06 109.282 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 29.1 m -134.65 170.94 18.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 126.767 3.175 . . . . 27.17 110.728 -176.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -122.34 125.72 46.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 112.349 -2.205 . . . . 47.84 105.104 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 31' ' ' LEU . 49.4 t -125.28 106.99 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.158 0 N-CA-C 102.423 -3.177 . . . . 38.86 102.423 -169.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . 0.741 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 6.4 t-20 43.36 -90.1 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 128.084 3.365 . . . . 76.53 110.411 -156.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.764 ' OD1' ' N ' ' A' ' 48' ' ' ASP 0.453 3.9 p-10 -108.53 -10.27 15.27 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 128.919 2.888 . . . . 79.29 114.513 -171.376 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -108.63 148.99 29.55 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 116.699 -1.62 . . . . 70.57 109.896 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 42.9 mt-30 -115.99 145.9 42.57 Favored 'General case' 0 C--O 1.185 -2.32 0 O-C-N 124.199 0.937 . . . . 55.85 112.421 176.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . 165.83 -175.7 41.4 Favored Glycine 0 C--N 1.302 -1.351 0 C-N-CA 116.639 -2.696 . . . . 25.02 110.447 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -95.03 145.24 25.09 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.315 1.969 . . . . 30.3 116.315 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.96 159.92 69.96 Favored Pre-proline 0 N--CA 1.424 -1.775 0 N-CA-C 106.939 -1.504 . . . . 22.24 106.939 168.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -63.46 129.05 24.03 Favored 'Trans proline' 0 CA--C 1.572 2.385 0 CA-C-O 123.363 1.318 . . . . 27.03 112.147 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.43 51.09 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 117.352 -1.308 . . . . 25.64 108.507 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.84 -17.3 61.56 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 117.463 -1.695 . . . . 27.45 112.057 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -91.71 8.19 38.13 Favored 'General case' 0 C--N 1.291 -1.977 1 C-N-CA 111.092 -4.243 . . . . 31.82 110.636 -173.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 m -123.98 153.66 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.219 0 O-C-N 124.585 1.178 . . . . 31.4 110.372 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -125.52 122.33 36.26 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.056 2.098 . . . . 77.4 111.086 176.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -61.18 130.65 47.33 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.436 -0.802 . . . . 71.14 112.677 176.623 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -111.47 106.38 15.25 Favored 'General case' 0 CA--C 1.554 1.12 0 O-C-N 120.394 -1.442 . . . . 56.76 108.083 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.319 1.6 p-10 . . . . . 0 C--O 1.253 1.246 0 O-C-N 119.912 -1.742 . . . . 100.0 115.593 -169.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.402 0 N-CA-C 109.539 -0.541 . . . . 100.0 109.539 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' A' ' 60' ' ' LYS . 4.7 mt-10 -54.4 139.07 38.24 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 124.291 0.995 . . . . 100.0 110.326 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -112.25 149.56 32.16 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.035 -1.893 . . . . 30.699999999999999 108.689 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 60' ' ' LYS . 13.1 m -132.21 157.54 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 106.318 -1.734 . . . . 27.0 106.318 171.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -103.69 137.65 41.43 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 112.927 -1.942 . . . . 23.93 106.979 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 116.45 15.18 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 123.92 0.763 . . . . 29.010000000000002 109.316 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -83.25 -20.95 33.56 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.467 -1.693 . . . . 31.27 112.869 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -145.88 160.42 41.82 Favored 'General case' 0 CA--C 1.464 -2.345 0 O-C-N 120.263 -1.523 . . . . 38.030000000000001 109.602 -176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.545 ' HB3' HE22 ' A' ' 16' ' ' GLN 0.261 28.2 m-20 -65.38 145.53 56.05 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 114.845 -1.07 . . . . 63.640000000000001 108.776 169.481 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -147.21 117.76 7.49 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 124.429 1.081 . . . . 29.68 109.435 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.545 HE22 ' HB3' ' A' ' 14' ' ' ASP . 12.8 mp0 -100.97 131.31 46.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 124.0 1.857 . . . . 86.370000000000005 109.545 178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.9 146.34 53.12 Favored 'General case' 0 C--N 1.276 -2.594 0 C-N-CA 117.066 -1.853 . . . . 45.100000000000001 110.913 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -125.74 6.17 7.44 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 123.966 1.841 . . . . 73.129999999999995 114.83 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.94 162.21 27.69 Favored Pre-proline 0 N--CA 1.431 -1.422 0 O-C-N 119.129 -2.232 . . . . 31.09 107.726 -173.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -54.96 -36.62 92.69 Favored 'Trans proline' 0 N--CA 1.428 -2.369 0 N-CA-C 116.579 1.723 . . . . 34.890000000000001 116.579 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -91.1 3.35 55.0 Favored 'General case' 0 N--CA 1.414 -2.226 0 C-N-CA 114.779 -2.768 . . . . 53.289999999999999 111.242 -172.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -92.46 159.35 15.57 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 124.694 1.246 . . . . 26.359999999999999 113.723 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG13 ' HA3' ' A' ' 51' ' ' GLY . 23.9 m -123.3 164.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 117.464 -1.694 . . . . 25.579999999999998 109.864 173.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -99.38 147.49 25.18 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 119.044 -1.062 . . . . 25.780000000000001 108.146 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -144.05 163.84 32.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.814 -1.18 . . . . 30.550000000000001 107.814 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.15 146.27 44.3 Favored 'General case' 0 CA--C 1.49 -1.328 0 C-N-CA 125.843 1.657 . . . . 71.420000000000002 108.957 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.28 129.99 22.32 Favored 'General case' 0 N--CA 1.415 -2.214 0 CA-C-N 113.572 -1.649 . . . . 70.769999999999996 109.537 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.27 -9.28 77.96 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-O 118.946 -0.919 . . . . 29.780000000000001 114.504 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.01 142.31 51.55 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 122.827 1.298 . . . . 33.649999999999999 110.842 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.0 mm -104.6 114.51 44.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 N-CA-C 104.797 -2.297 . . . . 23.84 104.797 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 46' ' ' VAL . 30.2 mt -110.12 157.66 19.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 117.978 -1.489 . . . . 33.729999999999997 108.32 -173.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.5 m -96.24 123.32 39.83 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.701 1.876 . . . . 29.57 107.427 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -76.85 120.5 22.08 Favored 'General case' 0 C--O 1.26 1.627 0 O-C-N 124.876 1.36 . . . . 29.710000000000001 109.794 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -93.47 -41.97 9.5 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.588 0.959 . . . . 36.619999999999997 113.588 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -156.89 126.61 6.23 Favored 'General case' 0 CA--C 1.483 -1.604 0 C-N-CA 115.976 -2.29 . . . . 26.289999999999999 106.572 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -122.56 28.78 7.19 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.658 -0.817 . . . . 33.609999999999999 111.312 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.7 p -67.32 -33.68 75.77 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 114.363 1.246 . . . . 26.460000000000001 114.363 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.63 134.59 36.44 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 121.649 0.738 . . . . 27.420000000000002 112.046 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HE2' ' OD1' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.53 -21.89 62.68 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.226 1.013 . . . . 70.430000000000007 112.757 -177.772 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' OD1' ' HE2' ' A' ' 39' ' ' LYS . 71.7 m-20 -106.43 -30.06 9.33 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 115.08 -2.648 . . . . 36.520000000000003 115.49 -176.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -126.1 124.78 41.35 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 124.582 1.176 . . . . 32.149999999999999 108.372 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -109.99 138.46 46.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 112.911 0.708 . . . . 28.109999999999999 112.911 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -90.95 129.22 36.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 118.773 -1.171 . . . . 47.060000000000002 109.282 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 29.1 m -134.65 170.94 18.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 126.767 3.175 . . . . 27.170000000000002 110.728 -176.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -122.34 125.72 46.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 112.349 -2.205 . . . . 47.840000000000003 105.104 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 31' ' ' LEU . 49.4 t -125.28 106.99 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.158 0 N-CA-C 102.423 -3.177 . . . . 38.859999999999999 102.423 -169.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.741 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 6.4 t-20 43.36 -90.1 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 128.084 3.365 . . . . 76.530000000000001 110.411 -156.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.764 ' OD1' ' N ' ' A' ' 48' ' ' ASP 0.453 3.9 p-10 -108.53 -10.27 15.27 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 128.919 2.888 . . . . 79.290000000000006 114.513 -171.376 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -108.63 148.99 29.55 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 116.699 -1.62 . . . . 70.569999999999993 109.896 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 42.9 mt-30 -115.99 145.9 42.57 Favored 'General case' 0 C--O 1.185 -2.32 0 O-C-N 124.199 0.937 . . . . 55.850000000000001 112.421 176.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . 165.83 -175.7 41.4 Favored Glycine 0 C--N 1.302 -1.351 0 C-N-CA 116.639 -2.696 . . . . 25.02 110.447 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -95.03 145.24 25.09 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.315 1.969 . . . . 30.300000000000001 116.315 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.96 159.92 69.96 Favored Pre-proline 0 N--CA 1.424 -1.775 0 N-CA-C 106.939 -1.504 . . . . 22.239999999999998 106.939 168.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -63.46 129.05 24.03 Favored 'Trans proline' 0 CA--C 1.572 2.385 0 CA-C-O 123.363 1.318 . . . . 27.030000000000001 112.147 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.43 51.09 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 117.352 -1.308 . . . . 25.640000000000001 108.507 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.84 -17.3 61.56 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 117.463 -1.695 . . . . 27.449999999999999 112.057 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -91.71 8.19 38.13 Favored 'General case' 0 C--N 1.291 -1.977 1 C-N-CA 111.092 -4.243 . . . . 31.82 110.636 -173.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 m -123.98 153.66 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.219 0 O-C-N 124.585 1.178 . . . . 31.399999999999999 110.372 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -125.52 122.33 36.26 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.056 2.098 . . . . 77.400000000000006 111.086 176.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -61.18 130.65 47.33 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.436 -0.802 . . . . 71.140000000000001 112.677 176.623 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -111.47 106.38 15.25 Favored 'General case' 0 CA--C 1.554 1.12 0 O-C-N 120.394 -1.442 . . . . 56.759999999999998 108.083 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.319 1.6 p-10 . . . . . 0 C--O 1.253 1.246 0 O-C-N 119.912 -1.742 . . . . 100.0 115.593 -169.914 . . . . . . . . 1 1 . 1 stop_ save_