data_1fut_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 1fut _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 ' 1' ' ' PCA . . . . . . . . . . . . 0.299 . . . . . . . 0 N--CA 1.437 -1.075 0 N-CA-C 113.244 0.831 . . . . 46.56 113.244 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.36 176.32 7.21 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 123.632 0.773 . . . . 49.44 111.105 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.59 153.49 19.75 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.488 -2.041 . . . . 41.08 105.488 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -156.16 156.56 34.43 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 122.774 1.273 . . . . 36.22 111.261 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.4 m -125.02 122.55 37.59 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 126.307 1.843 . . . . 33.76 106.036 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -111.57 112.46 24.2 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 103.807 -2.664 . . . . 32.7 103.807 179.1 -61.897 -67.824 98.216 101.315 2.035 100.696 -143.441 -58.521 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 -104.94 0.96 Allowed Glycine 0 N--CA 1.484 1.855 0 N-CA-C 104.304 -3.519 . . . . 35.77 104.304 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.52 -9.44 12.06 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 126.072 1.749 . . . . 38.07 113.518 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 m -84.99 128.61 34.7 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.893 1.442 . . . . 36.24 114.893 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -97.3 116.33 29.3 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 126.601 1.96 . . . . 42.92 111.476 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' OH ' ' OD2' ' A' ' 76' ' ' ASP . 90.4 m-85 -110.65 134.57 52.32 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 125.657 1.848 . . . . 31.83 106.228 177.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p -78.63 166.64 22.29 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 104.5 -2.408 . . . . 29.41 104.5 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . 0.479 ' C ' ' NH1' ' A' ' 17' ' ' ARG . . . -64.6 -36.9 85.74 Favored 'General case' 0 C--O 1.276 2.451 0 O-C-N 125.517 1.761 . . . . 29.65 108.367 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -67.03 -37.31 83.9 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 117.986 -1.486 . . . . 36.67 111.433 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.03 -41.3 97.46 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.291 0.636 . . . . 28.57 110.639 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.42 -43.13 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 123.682 0.614 . . . . 27.71 109.392 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.71 -47.38 85.88 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 112.638 0.607 . . . . 53.57 112.638 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.44 89.05 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.169 1.543 . . . . 28.97 110.022 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.47 73.42 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 126.031 2.082 . . . . 26.35 109.626 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.36 88.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.771 1.228 . . . . 26.4 109.224 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 117' ' ' HOH . 8.4 t30 -61.79 -51.06 69.81 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 128.202 2.601 . . . . 39.31 110.84 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.91 52.77 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 126.981 2.112 . . . . 27.31 109.198 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.08 50.53 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 120.58 -1.325 . . . . 26.25 110.093 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.7 -49.68 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.84 0.829 . . . . 29.45 112.511 -179.537 177.299 70.654 89.303 102.837 2.001 98.956 -145.345 -71.43 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 79.1 mm-40 -53.66 -54.85 31.87 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 112.088 -2.324 . . . . 46.88 112.029 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -64.1 -45.96 86.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 117.07 -1.443 . . . . 33.91 107.947 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -52.64 -46.57 67.17 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 115.848 -2.341 . . . . 36.74 109.545 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.69 -37.59 76.4 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 117.25 2.315 . . . . 52.7 117.25 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . 0.622 ' ND2' ' O ' ' A' ' 25' ' ' GLN . 63.1 m-80 -92.64 5.11 52.21 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.554 0.692 . . . . 44.56 112.039 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t0 53.98 50.69 16.17 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 127.772 3.654 . . . . 52.25 108.674 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.347 1.6 m-20 -120.63 159.47 25.22 Favored 'General case' 0 C--N 1.296 -1.76 1 C-N-CA 135.153 5.381 . . . . 51.34 115.415 -179.962 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.334 43.5 p -135.23 154.82 51.45 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 113.077 -1.874 . . . . 38.61 106.116 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.57 120.67 26.62 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.323 0.649 . . . . 35.22 110.591 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.36 -135.6 45.17 Favored Glycine 0 N--CA 1.471 0.969 0 CA-C-O 124.269 2.038 . . . . 31.64 108.989 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 76.5 p -98.47 19.38 14.6 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 125.002 1.321 . . . . 34.62 111.577 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.2 p -94.87 -174.7 3.34 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.111 0.882 . . . . 29.5 110.062 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.7 p -111.32 17.79 19.87 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 126.768 2.027 . . . . 28.72 112.349 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -101.44 139.44 20.42 Favored Pre-proline 0 C--N 1.295 -1.803 0 CA-C-O 115.075 -2.393 . . . . 27.59 111.418 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -75.63 150.34 94.29 Favored 'Cis proline' 0 C--N 1.327 -0.553 0 O-C-N 126.619 2.905 . . . . 27.75 112.904 -0.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -142.52 166.34 24.94 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 104.138 -2.542 . . . . 24.53 104.138 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 m -55.16 136.63 48.25 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.199 -0.909 . . . . 26.18 111.347 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.36 107.98 17.88 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 126.502 2.376 . . . . 27.11 105.437 175.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -71.84 -18.39 62.08 Favored 'General case' 0 C--O 1.283 2.86 1 CA-C-O 110.76 -4.448 . . . . 32.64 116.775 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 62.92 45.36 5.51 Favored 'General case' 0 C--N 1.273 -2.742 0 CA-C-N 125.308 3.685 . . . . 30.01 109.027 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.3 -25.72 68.17 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 116.553 -1.689 . . . . 41.42 108.494 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -76.58 -12.94 60.1 Favored 'General case' 0 C--O 1.262 1.758 0 N-CA-C 115.938 1.829 . . . . 31.33 115.938 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.05 46.35 51.9 Favored Glycine 0 C--O 1.262 1.865 0 N-CA-C 116.602 1.401 . . . . 31.27 116.602 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -75.05 147.91 40.27 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 105.605 -1.998 . . . . 30.57 105.605 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -98.33 76.97 2.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.931 3.27 . . . . 40.63 106.838 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.3 148.46 95.92 Favored Pre-proline 0 C--O 1.254 1.291 0 O-C-N 125.66 1.85 . . . . 30.45 108.149 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -73.14 -7.01 19.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.682 2.922 . . . . 29.72 113.301 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.57 155.06 40.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 115.217 -2.325 . . . . 31.22 105.768 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.5 163.61 24.58 Favored 'General case' 0 N--CA 1.484 1.232 1 O-C-N 131.589 5.556 . . . . 38.94 108.268 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.14 -167.64 42.22 Favored Glycine 0 C--N 1.301 -1.378 0 O-C-N 125.137 1.523 . . . . 30.66 111.049 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.88 162.11 70.69 Favored 'Cis proline' 0 C--O 1.27 2.122 0 CA-C-N 120.419 2.109 . . . . 27.87 111.52 -0.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -117.42 159.8 22.19 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 115.446 1.647 . . . . 25.61 115.446 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -132.14 136.78 47.36 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 126.352 2.282 . . . . 32.48 106.107 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.92 148.17 26.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.279 2.237 . . . . 24.87 109.753 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -151.34 141.56 14.59 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 103.584 -2.747 . . . . 21.42 103.584 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.51 151.23 83.42 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 O-C-N 125.503 2.317 . . . . 22.19 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tt -128.3 144.91 36.35 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 CA-C-O 112.594 -3.574 . . . . 23.48 102.287 174.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -157.26 165.73 35.08 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 130.034 4.583 . . . . 36.77 109.268 179.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -76.12 164.34 26.2 Favored 'General case' 0 N--CA 1.517 2.924 0 N-CA-C 105.839 -1.911 . . . . 33.52 105.839 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.47 7.73 83.12 Favored Glycine 0 CA--C 1.452 -3.883 0 N-CA-C 121.848 3.499 . . . . 29.35 121.848 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.12 176.38 14.4 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 121.168 2.484 . . . . 28.33 113.727 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -74.96 130.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 126.687 1.995 . . . . 26.18 109.1 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.85 138.25 15.25 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.306 -0.861 . . . . 26.07 110.15 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -126.39 -9.43 6.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 117.509 -1.234 . . . . 34.59 113.803 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.85 173.31 15.22 Favored Glycine 0 CA--C 1.556 2.65 0 N-CA-C 106.366 -2.694 . . . . 27.98 106.366 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.72 -156.25 28.72 Favored Glycine 0 N--CA 1.48 1.615 0 O-C-N 127.212 2.36 . . . . 28.33 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -63.52 123.69 81.96 Favored Pre-proline 0 C--N 1.303 -1.434 0 O-C-N 125.355 1.268 . . . . 37.11 109.654 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.82 -18.28 11.79 Favored 'Trans proline' 0 CA--C 1.497 -1.348 0 C-N-CA 122.259 1.972 . . . . 26.83 112.713 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.84 -165.01 41.52 Favored Glycine 0 N--CA 1.489 2.217 0 C-N-CA 116.893 -2.575 . . . . 24.9 108.061 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -25.35 22.32 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 119.895 3.295 . . . . 26.39 119.895 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . 0.534 ' OD2' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -97.25 149.04 22.49 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 127.118 2.761 . . . . 28.28 116.894 -175.171 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' NH2' ' O ' ' A' ' 152' ' ' HOH . 53.1 mmt-85 -146.51 151.23 37.03 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 111.956 -2.383 . . . . 25.64 114.887 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.64 144.87 15.04 Favored 'Isoleucine or valine' 0 C--O 1.27 2.146 0 O-C-N 127.814 3.196 . . . . 22.25 105.029 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.79 131.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.319 0 N-CA-C 105.86 -1.904 . . . . 20.78 105.86 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -128.99 165.02 29.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 127.123 2.169 . . . . 24.58 105.937 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -103.54 177.74 4.75 Favored 'General case' 0 N--CA 1.52 3.033 0 N-CA-C 102.728 -3.064 . . . . 26.07 102.728 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -68.14 2.04 2.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 116.518 2.044 . . . . 29.49 116.518 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -103.61 0.96 31.46 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 131.191 3.796 . . . . 28.46 110.545 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m 66.83 33.02 6.31 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 127.171 2.188 . . . . 28.44 109.518 179.643 -71.43 -145.345 89.303 98.956 2.001 102.837 70.654 177.299 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -96.83 136.69 37.02 Favored 'General case' 0 C--O 1.258 1.533 0 N-CA-C 106.432 -1.692 . . . . 28.73 106.432 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.3 125.47 26.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.132 1.52 . . . . 27.83 111.313 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.61 -43.28 5.41 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 126.295 1.838 . . . . 26.44 110.268 -178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.86 -174.15 38.3 Favored Glycine 0 C--O 1.214 -1.11 0 C-N-CA 119.05 -1.547 . . . . 25.22 113.938 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.6 133.07 49.72 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 124.5 2.095 . . . . 25.46 108.91 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 pt -129.51 158.77 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 127.177 2.191 . . . . 27.35 112.234 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -149.42 147.83 28.73 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 126.028 2.823 . . . . 29.84 116.061 -175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -80.03 -19.54 47.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 112.287 -2.233 . . . . 29.83 107.418 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.2 m -65.51 120.75 13.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.395 1.059 . . . . 33.58 112.03 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.08 9.25 65.84 Favored Glycine 0 C--O 1.259 1.663 0 C-N-CA 125.595 1.569 . . . . 38.63 110.649 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.9 174.44 5.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 118.398 -0.811 . . . . 41.95 108.867 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 76.7 p -122.35 143.98 49.3 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.158 -1.052 . . . . 49.46 108.158 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.43 -135.36 33.7 Favored Glycine 0 C--O 1.254 1.346 0 O-C-N 127.732 3.145 . . . . 44.68 107.783 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -102.43 21.61 14.87 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 127.54 2.553 . . . . 46.3 112.446 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -79.67 157.35 27.25 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 129.099 3.999 . . . . 42.66 110.342 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.6 155.71 29.38 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 112.098 -2.319 . . . . 30.29 109.395 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.52 160.08 29.73 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.779 0 C-N-CA 127.959 2.504 . . . . 25.96 104.514 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.75 154.52 39.88 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 108.367 -1.893 . . . . 25.88 108.367 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 70.7 m -89.21 168.12 12.54 Favored 'General case' 0 N--CA 1.498 1.96 1 N-CA-C 99.409 -4.293 . . . . 29.9 99.409 172.455 -58.521 -143.441 98.216 100.696 2.035 101.315 -67.824 -61.897 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 p -47.9 122.04 4.69 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-O 123.874 1.797 . . . . 32.48 111.129 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 99.41 -6.86 59.56 Favored Glycine 0 C--O 1.261 1.829 0 CA-C-N 113.667 -1.606 . . . . 28.96 113.112 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -117.51 128.03 54.58 Favored 'General case' 0 C--O 1.273 2.312 0 N-CA-C 105.138 -2.171 . . . . 29.37 105.138 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 123.898 1.808 . . . . 31.33 111.27 -176.984 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' 2GP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . 0.537 ' O ' ' NH2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . 0.577 ' HB2' HG12 ' A' ' 16' ' ' VAL 0.299 . . . . . . . 0 N--CA 1.437 -1.075 0 N-CA-C 113.244 0.831 . . . . 46.56 113.244 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.36 176.32 7.21 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 123.632 0.773 . . . . 49.44 111.105 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.59 153.49 19.75 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.488 -2.041 . . . . 41.08 105.488 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -156.16 156.56 34.43 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 122.774 1.273 . . . . 36.22 111.261 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.4 m -125.02 122.55 37.59 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 126.307 1.843 . . . . 33.76 106.036 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -111.57 112.46 24.2 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 103.807 -2.664 . . . . 32.7 103.807 179.1 -61.897 -67.824 98.216 101.315 2.035 100.696 -143.441 -58.521 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 -104.94 0.96 Allowed Glycine 0 N--CA 1.484 1.855 0 N-CA-C 104.304 -3.519 . . . . 35.77 104.304 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.52 -9.44 12.06 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 126.072 1.749 . . . . 38.07 113.518 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 m -84.99 128.61 34.7 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.893 1.442 . . . . 36.24 114.893 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -97.3 116.33 29.3 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 126.601 1.96 . . . . 42.92 111.476 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' OH ' ' OD2' ' A' ' 76' ' ' ASP . 90.4 m-85 -110.65 134.57 52.32 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 125.657 1.848 . . . . 31.83 106.228 177.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p -78.63 166.64 22.29 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 104.5 -2.408 . . . . 29.41 104.5 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -64.6 -36.9 85.74 Favored 'General case' 0 C--O 1.276 2.451 0 O-C-N 125.517 1.761 . . . . 29.65 108.367 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -67.03 -37.31 83.9 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 117.986 -1.486 . . . . 36.67 111.433 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.03 -41.3 97.46 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.291 0.636 . . . . 28.57 110.639 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 1' ' ' PCA . 70.7 t -67.42 -43.13 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 123.682 0.614 . . . . 27.71 109.392 179.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.824 HH12 ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -59.71 -47.38 85.88 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 112.638 0.607 . . . . 53.57 112.638 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.44 89.05 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.169 1.543 . . . . 28.97 110.022 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.47 73.42 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 126.031 2.082 . . . . 26.35 109.626 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.36 88.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.771 1.228 . . . . 26.4 109.224 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.79 -51.06 69.81 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 128.202 2.601 . . . . 39.31 110.84 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.91 52.77 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 126.981 2.112 . . . . 27.31 109.198 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.08 50.53 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 120.58 -1.325 . . . . 26.25 110.093 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.7 -49.68 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.84 0.829 . . . . 29.45 112.511 -179.537 177.299 70.654 89.303 102.837 2.001 98.956 -145.345 -71.43 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . 0.601 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 79.1 mm-40 -53.66 -54.85 31.87 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 112.088 -2.324 . . . . 46.88 112.029 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . 0.74 ' HD2' ' HB3' ' A' ' 31' ' ' ASP . 72.2 m-85 -64.1 -45.96 86.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 117.07 -1.443 . . . . 33.91 107.947 179.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -52.64 -46.57 67.17 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 115.848 -2.341 . . . . 36.74 109.545 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.69 -37.59 76.4 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 117.25 2.315 . . . . 52.7 117.25 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 25' ' ' GLN . 63.1 m-80 -92.64 5.11 52.21 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.554 0.692 . . . . 44.56 112.039 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t0 53.98 50.69 16.17 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 127.772 3.654 . . . . 52.25 108.674 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB3' ' HD2' ' A' ' 26' ' ' TYR 0.347 1.6 m-20 -120.63 159.47 25.22 Favored 'General case' 0 C--N 1.296 -1.76 1 C-N-CA 135.153 5.381 . . . . 51.34 115.415 -179.962 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.334 43.5 p -135.23 154.82 51.45 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 113.077 -1.874 . . . . 38.61 106.116 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.57 120.67 26.62 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.323 0.649 . . . . 35.22 110.591 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.36 -135.6 45.17 Favored Glycine 0 N--CA 1.471 0.969 0 CA-C-O 124.269 2.038 . . . . 31.64 108.989 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 76.5 p -98.47 19.38 14.6 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 125.002 1.321 . . . . 34.62 111.577 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.2 p -94.87 -174.7 3.34 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.111 0.882 . . . . 29.5 110.062 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 24.7 p -111.32 17.79 19.87 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 126.768 2.027 . . . . 28.72 112.349 176.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -101.44 139.44 20.42 Favored Pre-proline 0 C--N 1.295 -1.803 0 CA-C-O 115.075 -2.393 . . . . 27.59 111.418 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -75.63 150.34 94.29 Favored 'Cis proline' 0 C--N 1.327 -0.553 0 O-C-N 126.619 2.905 . . . . 27.75 112.904 -0.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 37' ' ' THR . 28.5 p80 -142.52 166.34 24.94 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 104.138 -2.542 . . . . 24.53 104.138 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 m -55.16 136.63 48.25 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.199 -0.909 . . . . 26.18 111.347 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.36 107.98 17.88 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 126.502 2.376 . . . . 27.11 105.437 175.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -71.84 -18.39 62.08 Favored 'General case' 0 C--O 1.283 2.86 1 CA-C-O 110.76 -4.448 . . . . 32.64 116.775 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 62.92 45.36 5.51 Favored 'General case' 0 C--N 1.273 -2.742 0 CA-C-N 125.308 3.685 . . . . 30.01 109.027 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.3 -25.72 68.17 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 116.553 -1.689 . . . . 41.42 108.494 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -76.58 -12.94 60.1 Favored 'General case' 0 C--O 1.262 1.758 0 N-CA-C 115.938 1.829 . . . . 31.33 115.938 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.05 46.35 51.9 Favored Glycine 0 C--O 1.262 1.865 0 N-CA-C 116.602 1.401 . . . . 31.27 116.602 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -75.05 147.91 40.27 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 105.605 -1.998 . . . . 30.57 105.605 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -98.33 76.97 2.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.931 3.27 . . . . 40.63 106.838 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 22.8 m-85 -64.3 148.46 95.92 Favored Pre-proline 0 C--O 1.254 1.291 0 O-C-N 125.66 1.85 . . . . 30.45 108.149 179.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PHE . 5.7 Cg_exo -73.14 -7.01 19.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.682 2.922 . . . . 29.72 113.301 178.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.57 155.06 40.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 115.217 -2.325 . . . . 31.22 105.768 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.5 163.61 24.58 Favored 'General case' 0 N--CA 1.484 1.232 1 O-C-N 131.589 5.556 . . . . 38.94 108.268 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.14 -167.64 42.22 Favored Glycine 0 C--N 1.301 -1.378 0 O-C-N 125.137 1.523 . . . . 30.66 111.049 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.88 162.11 70.69 Favored 'Cis proline' 0 C--O 1.27 2.122 0 CA-C-N 120.419 2.109 . . . . 27.87 111.52 -0.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -117.42 159.8 22.19 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 115.446 1.647 . . . . 25.61 115.446 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -132.14 136.78 47.36 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 126.352 2.282 . . . . 32.48 106.107 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.92 148.17 26.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.279 2.237 . . . . 24.87 109.753 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -151.34 141.56 14.59 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 103.584 -2.747 . . . . 21.42 103.584 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.51 151.23 83.42 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 O-C-N 125.503 2.317 . . . . 22.19 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tt -128.3 144.91 36.35 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 CA-C-O 112.594 -3.574 . . . . 23.48 102.287 174.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 110' ' ' HOH . 3.1 ptmt -157.26 165.73 35.08 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 130.034 4.583 . . . . 36.77 109.268 179.942 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -76.12 164.34 26.2 Favored 'General case' 0 N--CA 1.517 2.924 0 N-CA-C 105.839 -1.911 . . . . 33.52 105.839 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.47 7.73 83.12 Favored Glycine 0 CA--C 1.452 -3.883 0 N-CA-C 121.848 3.499 . . . . 29.35 121.848 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.12 176.38 14.4 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 121.168 2.484 . . . . 28.33 113.727 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -74.96 130.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 126.687 1.995 . . . . 26.18 109.1 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.85 138.25 15.25 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.306 -0.861 . . . . 26.07 110.15 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 69' ' ' THR . 23.5 m -126.39 -9.43 6.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 117.509 -1.234 . . . . 34.59 113.803 -179.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.85 173.31 15.22 Favored Glycine 0 CA--C 1.556 2.65 0 N-CA-C 106.366 -2.694 . . . . 27.98 106.366 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.72 -156.25 28.72 Favored Glycine 0 N--CA 1.48 1.615 0 O-C-N 127.212 2.36 . . . . 28.33 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -63.52 123.69 81.96 Favored Pre-proline 0 C--N 1.303 -1.434 0 O-C-N 125.355 1.268 . . . . 37.11 109.654 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.82 -18.28 11.79 Favored 'Trans proline' 0 CA--C 1.497 -1.348 0 C-N-CA 122.259 1.972 . . . . 26.83 112.713 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.84 -165.01 41.52 Favored Glycine 0 N--CA 1.489 2.217 0 C-N-CA 116.893 -2.575 . . . . 24.9 108.061 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -25.35 22.32 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 119.895 3.295 . . . . 26.39 119.895 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' OD2' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -97.25 149.04 22.49 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 127.118 2.761 . . . . 28.28 116.894 -175.171 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' A' ' 152' ' ' HOH . 53.1 mmt-85 -146.51 151.23 37.03 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 111.956 -2.383 . . . . 25.64 114.887 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.64 144.87 15.04 Favored 'Isoleucine or valine' 0 C--O 1.27 2.146 0 O-C-N 127.814 3.196 . . . . 22.25 105.029 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.79 131.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.319 0 N-CA-C 105.86 -1.904 . . . . 20.78 105.86 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -128.99 165.02 29.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 127.123 2.169 . . . . 24.58 105.937 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -103.54 177.74 4.75 Favored 'General case' 0 N--CA 1.52 3.033 0 N-CA-C 102.728 -3.064 . . . . 26.07 102.728 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -68.14 2.04 2.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 116.518 2.044 . . . . 29.49 116.518 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -103.61 0.96 31.46 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 131.191 3.796 . . . . 28.46 110.545 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m 66.83 33.02 6.31 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 127.171 2.188 . . . . 28.44 109.518 179.643 -71.43 -145.345 89.303 98.956 2.001 102.837 70.654 177.299 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -96.83 136.69 37.02 Favored 'General case' 0 C--O 1.258 1.533 0 N-CA-C 106.432 -1.692 . . . . 28.73 106.432 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.3 125.47 26.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.132 1.52 . . . . 27.83 111.313 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.61 -43.28 5.41 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 126.295 1.838 . . . . 26.44 110.268 -178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.86 -174.15 38.3 Favored Glycine 0 C--O 1.214 -1.11 0 C-N-CA 119.05 -1.547 . . . . 25.22 113.938 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.6 133.07 49.72 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 124.5 2.095 . . . . 25.46 108.91 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 pt -129.51 158.77 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 127.177 2.191 . . . . 27.35 112.234 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -149.42 147.83 28.73 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 126.028 2.823 . . . . 29.84 116.061 -175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -80.03 -19.54 47.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 112.287 -2.233 . . . . 29.83 107.418 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.2 m -65.51 120.75 13.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.395 1.059 . . . . 33.58 112.03 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.08 9.25 65.84 Favored Glycine 0 C--O 1.259 1.663 0 C-N-CA 125.595 1.569 . . . . 38.63 110.649 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.9 174.44 5.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 118.398 -0.811 . . . . 41.95 108.867 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 76.7 p -122.35 143.98 49.3 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.158 -1.052 . . . . 49.46 108.158 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.43 -135.36 33.7 Favored Glycine 0 C--O 1.254 1.346 0 O-C-N 127.732 3.145 . . . . 44.68 107.783 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . 0.42 ' HB3' " O5'" ' A' ' 108' ' ' 2GP . 8.2 m120 -102.43 21.61 14.87 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 127.54 2.553 . . . . 46.3 112.446 -178.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -79.67 157.35 27.25 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 129.099 3.999 . . . . 42.66 110.342 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.6 155.71 29.38 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 112.098 -2.319 . . . . 30.29 109.395 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.52 160.08 29.73 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.779 0 C-N-CA 127.959 2.504 . . . . 25.96 104.514 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.75 154.52 39.88 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 108.367 -1.893 . . . . 25.88 108.367 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 70.7 m -89.21 168.12 12.54 Favored 'General case' 0 N--CA 1.498 1.96 1 N-CA-C 99.409 -4.293 . . . . 29.9 99.409 172.455 -58.521 -143.441 98.216 100.696 2.035 101.315 -67.824 -61.897 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 p -47.9 122.04 4.69 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-O 123.874 1.797 . . . . 32.48 111.129 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 99.41 -6.86 59.56 Favored Glycine 0 C--O 1.261 1.829 0 CA-C-N 113.667 -1.606 . . . . 28.96 113.112 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -117.51 128.03 54.58 Favored 'General case' 0 C--O 1.273 2.312 0 N-CA-C 105.138 -2.171 . . . . 29.37 105.138 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 123.898 1.808 . . . . 31.33 111.27 -176.984 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' 2GP . . . . . 0.42 " O5'" ' HB3' ' A' ' 98' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.573 ' O ' ' HE2' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.577 ' HB2' HG12 ' A' ' 16' ' ' VAL 0.299 . . . . . . . 0 N--CA 1.437 -1.075 0 N-CA-C 113.244 0.831 . . . . 46.56 113.244 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.36 176.32 7.21 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 123.632 0.773 . . . . 49.44 111.105 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.59 153.49 19.75 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.488 -2.041 . . . . 41.08 105.488 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -156.16 156.56 34.43 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 122.774 1.273 . . . . 36.22 111.261 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.4 m -125.02 122.55 37.59 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 126.307 1.843 . . . . 33.76 106.036 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -111.57 112.46 24.2 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 103.807 -2.664 . . . . 32.7 103.807 179.1 -61.897 -67.824 98.216 101.315 2.035 100.696 -143.441 -58.521 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 -104.94 0.96 Allowed Glycine 0 N--CA 1.484 1.855 0 N-CA-C 104.304 -3.519 . . . . 35.77 104.304 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.52 -9.44 12.06 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 126.072 1.749 . . . . 38.07 113.518 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 m -84.99 128.61 34.7 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.893 1.442 . . . . 36.24 114.893 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -97.3 116.33 29.3 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 126.601 1.96 . . . . 42.92 111.476 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' OH ' ' OD2' ' A' ' 76' ' ' ASP . 90.4 m-85 -110.65 134.57 52.32 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 125.657 1.848 . . . . 31.83 106.228 177.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p -78.63 166.64 22.29 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 104.5 -2.408 . . . . 29.41 104.5 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -64.6 -36.9 85.74 Favored 'General case' 0 C--O 1.276 2.451 0 O-C-N 125.517 1.761 . . . . 29.65 108.367 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -67.03 -37.31 83.9 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 117.986 -1.486 . . . . 36.67 111.433 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.03 -41.3 97.46 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.291 0.636 . . . . 28.57 110.639 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 1' ' ' PCA . 70.7 t -67.42 -43.13 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 123.682 0.614 . . . . 27.71 109.392 179.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.824 HH12 ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -59.71 -47.38 85.88 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 112.638 0.607 . . . . 53.57 112.638 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.44 89.05 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.169 1.543 . . . . 28.97 110.022 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.47 73.42 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 126.031 2.082 . . . . 26.35 109.626 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.36 88.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.771 1.228 . . . . 26.4 109.224 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 117' ' ' HOH . 8.4 t30 -61.79 -51.06 69.81 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 128.202 2.601 . . . . 39.31 110.84 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.91 52.77 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 126.981 2.112 . . . . 27.31 109.198 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.08 50.53 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 120.58 -1.325 . . . . 26.25 110.093 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.7 -49.68 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.84 0.829 . . . . 29.45 112.511 -179.537 177.299 70.654 89.303 102.837 2.001 98.956 -145.345 -71.43 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.601 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 79.1 mm-40 -53.66 -54.85 31.87 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 112.088 -2.324 . . . . 46.88 112.029 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.74 ' HD2' ' HB3' ' A' ' 31' ' ' ASP . 72.2 m-85 -64.1 -45.96 86.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 117.07 -1.443 . . . . 33.91 107.947 179.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -52.64 -46.57 67.17 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 115.848 -2.341 . . . . 36.74 109.545 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.69 -37.59 76.4 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 117.25 2.315 . . . . 52.7 117.25 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 25' ' ' GLN . 63.1 m-80 -92.64 5.11 52.21 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.554 0.692 . . . . 44.56 112.039 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t0 53.98 50.69 16.17 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 127.772 3.654 . . . . 52.25 108.674 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB3' ' HD2' ' A' ' 26' ' ' TYR 0.347 1.6 m-20 -120.63 159.47 25.22 Favored 'General case' 0 C--N 1.296 -1.76 1 C-N-CA 135.153 5.381 . . . . 51.34 115.415 -179.962 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.334 43.5 p -135.23 154.82 51.45 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 113.077 -1.874 . . . . 38.61 106.116 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.57 120.67 26.62 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.323 0.649 . . . . 35.22 110.591 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.36 -135.6 45.17 Favored Glycine 0 N--CA 1.471 0.969 0 CA-C-O 124.269 2.038 . . . . 31.64 108.989 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 76.5 p -98.47 19.38 14.6 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 125.002 1.321 . . . . 34.62 111.577 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.2 p -94.87 -174.7 3.34 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.111 0.882 . . . . 29.5 110.062 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 24.7 p -111.32 17.79 19.87 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 126.768 2.027 . . . . 28.72 112.349 176.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -101.44 139.44 20.42 Favored Pre-proline 0 C--N 1.295 -1.803 0 CA-C-O 115.075 -2.393 . . . . 27.59 111.418 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -75.63 150.34 94.29 Favored 'Cis proline' 0 C--N 1.327 -0.553 0 O-C-N 126.619 2.905 . . . . 27.75 112.904 -0.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 37' ' ' THR . 28.5 p80 -142.52 166.34 24.94 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 104.138 -2.542 . . . . 24.53 104.138 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 m -55.16 136.63 48.25 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.199 -0.909 . . . . 26.18 111.347 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.36 107.98 17.88 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 126.502 2.376 . . . . 27.11 105.437 175.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -71.84 -18.39 62.08 Favored 'General case' 0 C--O 1.283 2.86 1 CA-C-O 110.76 -4.448 . . . . 32.64 116.775 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 62.92 45.36 5.51 Favored 'General case' 0 C--N 1.273 -2.742 0 CA-C-N 125.308 3.685 . . . . 30.01 109.027 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.3 -25.72 68.17 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 116.553 -1.689 . . . . 41.42 108.494 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -76.58 -12.94 60.1 Favored 'General case' 0 C--O 1.262 1.758 0 N-CA-C 115.938 1.829 . . . . 31.33 115.938 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.05 46.35 51.9 Favored Glycine 0 C--O 1.262 1.865 0 N-CA-C 116.602 1.401 . . . . 31.27 116.602 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -75.05 147.91 40.27 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 105.605 -1.998 . . . . 30.57 105.605 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -98.33 76.97 2.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.931 3.27 . . . . 40.63 106.838 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 22.8 m-85 -64.3 148.46 95.92 Favored Pre-proline 0 C--O 1.254 1.291 0 O-C-N 125.66 1.85 . . . . 30.45 108.149 179.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 50' ' ' PHE . 5.7 Cg_exo -73.14 -7.01 19.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.682 2.922 . . . . 29.72 113.301 178.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.57 155.06 40.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 115.217 -2.325 . . . . 31.22 105.768 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.5 163.61 24.58 Favored 'General case' 0 N--CA 1.484 1.232 1 O-C-N 131.589 5.556 . . . . 38.94 108.268 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.14 -167.64 42.22 Favored Glycine 0 C--N 1.301 -1.378 0 O-C-N 125.137 1.523 . . . . 30.66 111.049 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.88 162.11 70.69 Favored 'Cis proline' 0 C--O 1.27 2.122 0 CA-C-N 120.419 2.109 . . . . 27.87 111.52 -0.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -117.42 159.8 22.19 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 115.446 1.647 . . . . 25.61 115.446 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -132.14 136.78 47.36 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 126.352 2.282 . . . . 32.48 106.107 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.92 148.17 26.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.279 2.237 . . . . 24.87 109.753 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -151.34 141.56 14.59 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 103.584 -2.747 . . . . 21.42 103.584 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.51 151.23 83.42 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 O-C-N 125.503 2.317 . . . . 22.19 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tt -128.3 144.91 36.35 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 CA-C-O 112.594 -3.574 . . . . 23.48 102.287 174.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 110' ' ' HOH . 3.1 ptmt -157.26 165.73 35.08 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 130.034 4.583 . . . . 36.77 109.268 179.942 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -76.12 164.34 26.2 Favored 'General case' 0 N--CA 1.517 2.924 0 N-CA-C 105.839 -1.911 . . . . 33.52 105.839 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.47 7.73 83.12 Favored Glycine 0 CA--C 1.452 -3.883 0 N-CA-C 121.848 3.499 . . . . 29.35 121.848 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.12 176.38 14.4 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 121.168 2.484 . . . . 28.33 113.727 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -74.96 130.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 126.687 1.995 . . . . 26.18 109.1 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.85 138.25 15.25 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.306 -0.861 . . . . 26.07 110.15 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 69' ' ' THR . 23.5 m -126.39 -9.43 6.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 117.509 -1.234 . . . . 34.59 113.803 -179.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.85 173.31 15.22 Favored Glycine 0 CA--C 1.556 2.65 0 N-CA-C 106.366 -2.694 . . . . 27.98 106.366 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.72 -156.25 28.72 Favored Glycine 0 N--CA 1.48 1.615 0 O-C-N 127.212 2.36 . . . . 28.33 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -63.52 123.69 81.96 Favored Pre-proline 0 C--N 1.303 -1.434 0 O-C-N 125.355 1.268 . . . . 37.11 109.654 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.82 -18.28 11.79 Favored 'Trans proline' 0 CA--C 1.497 -1.348 0 C-N-CA 122.259 1.972 . . . . 26.83 112.713 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.84 -165.01 41.52 Favored Glycine 0 N--CA 1.489 2.217 0 C-N-CA 116.893 -2.575 . . . . 24.9 108.061 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -25.35 22.32 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 119.895 3.295 . . . . 26.39 119.895 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' OD2' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -97.25 149.04 22.49 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 127.118 2.761 . . . . 28.28 116.894 -175.171 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' A' ' 152' ' ' HOH . 53.1 mmt-85 -146.51 151.23 37.03 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 111.956 -2.383 . . . . 25.64 114.887 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.64 144.87 15.04 Favored 'Isoleucine or valine' 0 C--O 1.27 2.146 0 O-C-N 127.814 3.196 . . . . 22.25 105.029 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.79 131.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.319 0 N-CA-C 105.86 -1.904 . . . . 20.78 105.86 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -128.99 165.02 29.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 127.123 2.169 . . . . 24.58 105.937 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -103.54 177.74 4.75 Favored 'General case' 0 N--CA 1.52 3.033 0 N-CA-C 102.728 -3.064 . . . . 26.07 102.728 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -68.14 2.04 2.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 116.518 2.044 . . . . 29.49 116.518 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -103.61 0.96 31.46 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 131.191 3.796 . . . . 28.46 110.545 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m 66.83 33.02 6.31 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 127.171 2.188 . . . . 28.44 109.518 179.643 -71.43 -145.345 89.303 98.956 2.001 102.837 70.654 177.299 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -96.83 136.69 37.02 Favored 'General case' 0 C--O 1.258 1.533 0 N-CA-C 106.432 -1.692 . . . . 28.73 106.432 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.3 125.47 26.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.132 1.52 . . . . 27.83 111.313 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.61 -43.28 5.41 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 126.295 1.838 . . . . 26.44 110.268 -178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.86 -174.15 38.3 Favored Glycine 0 C--O 1.214 -1.11 0 C-N-CA 119.05 -1.547 . . . . 25.22 113.938 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.6 133.07 49.72 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 124.5 2.095 . . . . 25.46 108.91 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 pt -129.51 158.77 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 127.177 2.191 . . . . 27.35 112.234 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -149.42 147.83 28.73 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 126.028 2.823 . . . . 29.84 116.061 -175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -80.03 -19.54 47.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 112.287 -2.233 . . . . 29.83 107.418 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.2 m -65.51 120.75 13.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.395 1.059 . . . . 33.58 112.03 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.08 9.25 65.84 Favored Glycine 0 C--O 1.259 1.663 0 C-N-CA 125.595 1.569 . . . . 38.63 110.649 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.9 174.44 5.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 118.398 -0.811 . . . . 41.95 108.867 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 76.7 p -122.35 143.98 49.3 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.158 -1.052 . . . . 49.46 108.158 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.43 -135.36 33.7 Favored Glycine 0 C--O 1.254 1.346 0 O-C-N 127.732 3.145 . . . . 44.68 107.783 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.42 ' HB3' " O5'" ' A' ' 108' ' ' 2GP . 8.2 m120 -102.43 21.61 14.87 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 127.54 2.553 . . . . 46.3 112.446 -178.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -79.67 157.35 27.25 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 129.099 3.999 . . . . 42.66 110.342 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.6 155.71 29.38 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 112.098 -2.319 . . . . 30.29 109.395 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.52 160.08 29.73 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.779 0 C-N-CA 127.959 2.504 . . . . 25.96 104.514 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.75 154.52 39.88 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 108.367 -1.893 . . . . 25.88 108.367 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 70.7 m -89.21 168.12 12.54 Favored 'General case' 0 N--CA 1.498 1.96 1 N-CA-C 99.409 -4.293 . . . . 29.9 99.409 172.455 -58.521 -143.441 98.216 100.696 2.035 101.315 -67.824 -61.897 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 p -47.9 122.04 4.69 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-O 123.874 1.797 . . . . 32.48 111.129 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 99.41 -6.86 59.56 Favored Glycine 0 C--O 1.261 1.829 0 CA-C-N 113.667 -1.606 . . . . 28.96 113.112 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -117.51 128.03 54.58 Favored 'General case' 0 C--O 1.273 2.312 0 N-CA-C 105.138 -2.171 . . . . 29.37 105.138 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 123.898 1.808 . . . . 31.33 111.27 -176.984 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' 2GP . . . . . 0.42 " O5'" ' HB3' ' A' ' 98' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.573 ' O ' ' HE2' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_