data_1zzk_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 1zzk _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 ' 10' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 C--O 1.27 2.174 1 CA-C-O 129.5 4.476 . . . . 72.920000000000002 117.159 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.35 172.42 46.59 Favored Glycine 0 C--N 1.352 1.455 1 O-C-N 113.697 -5.627 . . . . 33.719999999999999 113.185 175.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.81 166.4 25.33 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 O-C-N 126.817 3.009 . . . . 24.460000000000001 111.58 -171.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.33 128.36 34.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.674 -1.603 . . . . 21.399999999999999 109.695 170.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.6 pt -135.6 171.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 122.863 1.316 . . . . 14.16 108.103 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -122.88 142.83 50.36 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 113.557 -1.656 . . . . 11.92 110.796 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 m -137.93 152.44 48.98 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.204 -1.035 . . . . 14.19 108.204 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.27 148.53 39.05 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.44 -0.8 . . . . 9.0999999999999996 109.843 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.5 158.02 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 106.749 -1.574 . . . . 14.039999999999999 106.749 170.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 p -116.21 138.82 50.96 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.155 -0.93 . . . . 16.559999999999999 110.724 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.73 130.81 23.61 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 108.039 -1.097 . . . . 9.8300000000000001 108.039 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -51.22 140.64 41.33 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 CA-C-N 121.006 1.395 . . . . 12.99 111.3 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.53 -34.93 71.53 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.476 -1.29 . . . . 23.609999999999999 113.538 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.7 -9.06 58.4 Favored 'General case' 0 C--O 1.253 1.246 0 C-N-CA 120.042 -0.663 . . . . 19.469999999999999 112.232 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -105.56 -16.84 14.6 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.062 0.846 . . . . 16.16 112.356 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.29 69.21 Favored 'General case' 0 C--O 1.262 1.742 0 CA-C-O 117.739 -1.124 . . . . 15.279999999999999 112.389 -168.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.29 -25.06 24.94 Favored Glycine 0 C--O 1.282 3.098 0 CA-C-N 121.021 1.737 . . . . 20.010000000000002 113.39 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -56.06 -28.16 56.39 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 120.088 1.944 . . . . 15.630000000000001 112.454 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -99.51 -3.89 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 113.042 0.756 . . . . 16.07 113.042 -172.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.5 mm -97.93 -66.22 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-O 116.097 -1.906 . . . . 22.48 112.36 -175.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.77 164.43 39.9 Favored Glycine 0 N--CA 1.447 -0.623 0 O-C-N 126.43 2.332 . . . . 21.780000000000001 112.367 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -60.99 132.31 53.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 117.473 -1.691 . . . . 38.420000000000002 109.011 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.74 14.16 60.16 Favored Glycine 0 C--O 1.257 1.562 0 O-C-N 125.842 1.964 . . . . 23.609999999999999 111.465 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 22.94 74.75 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-O 117.112 -1.938 . . . . 17.079999999999998 110.076 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -63.09 -36.17 82.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 119.38 1.59 . . . . 44.0 111.488 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -68.24 -50.41 54.15 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 118.993 -1.083 . . . . 23.41 109.576 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.05 -37.26 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 119.165 -1.014 . . . . 13.470000000000001 108.58 -175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -58.35 -43.62 88.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.572 0.701 . . . . 11.789999999999999 110.334 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.86 -37.83 82.34 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.401 0.519 . . . . 36.149999999999999 112.401 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.58 -42.28 92.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 121.951 -0.468 . . . . 13.09 110.145 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -57.23 -49.24 76.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.91 1.338 . . . . 8.3000000000000007 110.441 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.98 -45.53 90.35 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 123.536 1.636 . . . . 40.799999999999997 112.162 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.62 -39.03 80.99 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.957 1.36 . . . . 27.829999999999998 113.681 -176.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.2 p -83.1 -28.5 29.43 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.364 -1.46 . . . . 8.4700000000000006 113.887 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.42 88.72 Favored Glycine 0 C--O 1.246 0.877 0 N-CA-C 115.277 0.871 . . . . 7.5800000000000001 115.277 -170.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 152.42 19.9 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.256 1.028 . . . . 6.7000000000000002 110.966 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 m -79.75 136.03 36.66 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.308 -1.315 . . . . 6.7800000000000002 107.828 165.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.3 mt -140.28 125.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.379 -1.341 . . . . 7.8899999999999997 107.379 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -131.55 159.76 37.27 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.077 1.751 . . . . 29.77 110.011 -175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.5 tt -116.35 131.42 68.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 127.268 3.413 . . . . 14.23 108.177 172.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -59.04 171.33 0.71 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 112.423 -2.171 . . . . 25.789999999999999 114.136 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.25 152.8 95.56 Favored Pre-proline 0 N--CA 1.483 1.191 0 C-N-CA 118.135 -1.426 . . . . 35.75 108.571 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -70.62 -22.33 28.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 N-CA-C 117.489 2.073 . . . . 25.670000000000002 117.489 -167.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.93 14.76 28.93 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-N 118.522 0.601 . . . . 34.829999999999998 111.501 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.56 26.44 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 128.076 3.798 . . . . 80.060000000000002 106.026 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.15 -144.46 34.74 Favored Glycine 0 N--CA 1.434 -1.495 1 C-N-CA 113.573 -4.156 . . . . 37.049999999999997 120.853 163.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 34.15 178.12 0.0 OUTLIER 'General case' 0 C--O 1.253 1.271 0 N-CA-C 106.184 -1.784 . . . . 38.780000000000001 106.184 -168.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.4 -5.91 51.46 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 117.281 -1.342 . . . . 28.859999999999999 111.766 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -123.3 153.48 40.19 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 114.311 1.226 . . . . 30.440000000000001 114.311 -172.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -95.64 142.19 28.24 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 124.645 1.216 . . . . 20.300000000000001 108.898 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.2 mt -100.5 125.77 54.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.99 0.9 . . . . 15.16 109.518 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.22 127.54 65.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.902 -1.518 . . . . 19.510000000000002 106.902 179.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -108.55 124.44 50.47 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.954 -0.758 . . . . 7.5199999999999996 108.954 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 mt -118.7 125.78 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.775 -1.565 . . . . 8.5199999999999996 106.775 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -129.02 125.43 37.32 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.372 -0.377 . . . . 11.18 110.453 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.78 -165.64 38.5 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 108.974 -1.65 . . . . 6.7199999999999998 108.974 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.3 p -68.72 164.27 22.1 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.277 -0.969 . . . . 9.5500000000000007 109.061 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 122' ' ' HOH . 8.0 tp-100 -57.47 -38.54 74.68 Favored 'General case' 0 CA--C 1.499 -1.0 0 C-N-CA 119.447 -0.901 . . . . 27.789999999999999 112.092 177.037 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.286 52.9 m-20 -66.13 -41.98 89.73 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 120.156 -1.59 . . . . 11.550000000000001 113.031 178.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.63 -41.88 98.1 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 119.875 -0.73 . . . . 7.9400000000000004 111.414 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.28 -45.41 98.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 O-C-N 122.161 -0.337 . . . . 8.5399999999999991 110.574 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -61.06 -45.3 95.33 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 120.15 -0.62 . . . . 7.29 109.959 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.09 -40.77 96.96 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.56 -0.856 . . . . 6.6900000000000004 110.756 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.3 96.75 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 118.221 0.464 . . . . 6.3700000000000001 110.336 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.02 -43.93 86.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.765 -0.774 . . . . 18.18 112.055 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.69 -37.24 79.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.048 -1.061 . . . . 10.94 111.115 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -63.16 -41.58 99.27 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 119.42 -0.912 . . . . 12.279999999999999 110.926 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.13 -48.46 81.55 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.336 0.517 . . . . 10.18 110.702 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -59.11 -48.42 81.68 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 121.443 0.639 . . . . 15.300000000000001 111.173 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.22 -33.07 75.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 119.872 -0.731 . . . . 8.4299999999999997 110.816 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -66.92 -45.7 77.09 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.675 -0.41 . . . . 10.17 111.735 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.69 -42.22 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 C-N-CA 119.52 -0.872 . . . . 10.74 110.303 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 128' ' ' HOH . 42.8 tptt -64.18 -41.41 97.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.377 -0.929 . . . . 18.199999999999999 112.133 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -56.81 -43.53 81.07 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.334 0.396 . . . . 32.07 111.367 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -95.54 -21.8 18.05 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.785 0.803 . . . . 28.850000000000001 111.022 -167.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -116.06 -18.54 10.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 118.189 -2.82 . . . . 13.859999999999999 116.08 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.87 -1.64 85.29 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 117.668 -1.629 . . . . 16.829999999999998 116.254 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -140.81 160.25 40.44 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 118.854 1.327 . . . . 26.140000000000001 110.996 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -81.85 167.47 18.97 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.685 -1.598 . . . . 20.239999999999998 108.528 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 p90 . . . . . 0 C--O 1.255 1.354 0 CA-C-O 116.139 -1.886 . . . . 27.16 113.629 175.655 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 . . . . . 0.486 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.444 ' O ' ' NZ ' ' A' ' 82' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.475 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.464 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 C--O 1.27 2.174 1 CA-C-O 129.5 4.476 . . . . 72.92 117.159 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.35 172.42 46.59 Favored Glycine 0 C--N 1.352 1.455 1 O-C-N 113.697 -5.627 . . . . 33.72 113.185 175.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.81 166.4 25.33 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 O-C-N 126.817 3.009 . . . . 24.46 111.58 -171.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.33 128.36 34.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.674 -1.603 . . . . 21.4 109.695 170.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . 0.436 HD11 ' HG2' ' A' ' 67' ' ' GLN . 34.6 pt -135.6 171.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 122.863 1.316 . . . . 14.16 108.103 -179.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -122.88 142.83 50.36 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 113.557 -1.656 . . . . 11.92 110.796 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 m -137.93 152.44 48.98 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.204 -1.035 . . . . 14.19 108.204 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.27 148.53 39.05 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.44 -0.8 . . . . 9.1 109.843 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.5 158.02 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 106.749 -1.574 . . . . 14.04 106.749 170.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 p -116.21 138.82 50.96 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.155 -0.93 . . . . 16.56 110.724 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 20' ' ' ILE . 62.1 mt -127.73 130.81 23.61 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 108.039 -1.097 . . . . 21.36 108.039 179.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -51.22 140.64 41.33 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 CA-C-N 121.006 1.395 . . . . 12.99 111.3 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.53 -34.93 71.53 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.476 -1.29 . . . . 23.61 113.538 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.7 -9.06 58.4 Favored 'General case' 0 C--O 1.253 1.246 0 C-N-CA 120.042 -0.663 . . . . 19.47 112.232 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -105.56 -16.84 14.6 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.062 0.846 . . . . 16.16 112.356 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' HG23 ' A' ' 20' ' ' ILE . . . -61.53 -28.29 69.21 Favored 'General case' 0 C--O 1.262 1.742 0 CA-C-O 117.739 -1.124 . . . . 15.28 112.389 -168.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.29 -25.06 24.94 Favored Glycine 0 C--O 1.282 3.098 0 CA-C-N 121.021 1.737 . . . . 20.01 113.39 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . 0.659 ' OG ' HG22 ' A' ' 81' ' ' VAL . 58.4 m -56.06 -28.16 56.39 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 120.088 1.944 . . . . 21.01 112.454 178.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -99.51 -3.89 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 113.042 0.756 . . . . 16.07 113.042 -172.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' GLY . 24.5 mm -97.93 -66.22 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-O 116.097 -1.906 . . . . 23.3 112.36 -175.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 29' ' ' ILE . . . 86.77 164.43 39.9 Favored Glycine 0 N--CA 1.447 -0.623 0 O-C-N 126.43 2.332 . . . . 21.78 112.367 179.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -60.99 132.31 53.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 117.473 -1.691 . . . . 38.42 109.011 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.74 14.16 60.16 Favored Glycine 0 C--O 1.257 1.562 0 O-C-N 125.842 1.964 . . . . 23.61 111.465 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 22.94 74.75 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-O 117.112 -1.938 . . . . 17.08 110.076 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 18.0 pt20 -63.09 -36.17 82.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 119.38 1.59 . . . . 44.0 111.488 -174.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -68.24 -50.41 54.15 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 118.993 -1.083 . . . . 23.41 109.576 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 49' ' ' ILE . 10.7 tp -64.05 -37.26 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 119.165 -1.014 . . . . 13.47 108.58 -175.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -58.35 -43.62 88.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.572 0.701 . . . . 33.69 110.334 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 96.0 mt-30 -67.86 -37.83 82.34 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.401 0.519 . . . . 36.15 112.401 179.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.58 -42.28 92.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 121.951 -0.468 . . . . 13.09 110.145 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -57.23 -49.24 76.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.91 1.338 . . . . 8.3 110.441 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.98 -45.53 90.35 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 123.536 1.636 . . . . 40.8 112.162 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.62 -39.03 80.99 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.957 1.36 . . . . 27.83 113.681 -176.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.2 p -83.1 -28.5 29.43 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.364 -1.46 . . . . 8.47 113.887 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.42 88.72 Favored Glycine 0 C--O 1.246 0.877 0 N-CA-C 115.277 0.871 . . . . 7.58 115.277 -170.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 152.42 19.9 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.256 1.028 . . . . 6.7 110.966 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 m -79.75 136.03 36.66 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.308 -1.315 . . . . 7.62 107.828 165.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.3 mt -140.28 125.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.379 -1.341 . . . . 7.89 107.379 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HE2' ' O ' ' A' ' 141' ' ' HOH . 3.8 ttpm? -131.55 159.76 37.27 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.077 1.751 . . . . 29.77 110.011 -175.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 36' ' ' ILE . 16.5 tt -116.35 131.42 68.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 127.268 3.413 . . . . 27.26 108.177 172.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -59.04 171.33 0.71 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 112.423 -2.171 . . . . 25.79 114.136 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.25 152.8 95.56 Favored Pre-proline 0 N--CA 1.483 1.191 0 C-N-CA 118.135 -1.426 . . . . 35.75 108.571 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -70.62 -22.33 28.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 N-CA-C 117.489 2.073 . . . . 25.67 117.489 -167.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.93 14.76 28.93 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-N 118.522 0.601 . . . . 34.83 111.501 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.56 26.44 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 128.076 3.798 . . . . 80.06 106.026 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.15 -144.46 34.74 Favored Glycine 0 N--CA 1.434 -1.495 1 C-N-CA 113.573 -4.156 . . . . 37.05 120.853 163.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 34.15 178.12 0.0 OUTLIER 'General case' 0 C--O 1.253 1.271 0 N-CA-C 106.184 -1.784 . . . . 38.78 106.184 -168.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.4 -5.91 51.46 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 117.281 -1.342 . . . . 28.86 111.766 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -123.3 153.48 40.19 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 114.311 1.226 . . . . 30.44 114.311 -172.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -95.64 142.19 28.24 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 124.645 1.216 . . . . 20.3 108.898 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.2 mt -100.5 125.77 54.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.99 0.9 . . . . 15.16 109.518 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.22 127.54 65.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.902 -1.518 . . . . 19.51 106.902 179.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -108.55 124.44 50.47 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.954 -0.758 . . . . 7.52 108.954 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 mt -118.7 125.78 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.775 -1.565 . . . . 8.52 106.775 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -129.02 125.43 37.32 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.372 -0.377 . . . . 11.18 110.453 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.78 -165.64 38.5 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 108.974 -1.65 . . . . 6.72 108.974 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.3 p -68.72 164.27 22.1 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.277 -0.969 . . . . 9.55 109.061 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' HG2' HD11 ' A' ' 14' ' ' ILE . 30.1 tp60 -57.47 -38.54 74.68 Favored 'General case' 0 CA--C 1.499 -1.0 0 C-N-CA 119.447 -0.901 . . . . 27.79 112.092 177.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.286 52.9 m-20 -66.13 -41.98 89.73 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 120.156 -1.59 . . . . 12.35 113.031 178.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.63 -41.88 98.1 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 119.875 -0.73 . . . . 7.94 111.414 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 68.8 mt -61.28 -45.41 98.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 O-C-N 122.161 -0.337 . . . . 8.54 110.574 178.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -61.06 -45.3 95.33 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 120.15 -0.62 . . . . 34.44 109.959 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.09 -40.77 96.96 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.56 -0.856 . . . . 6.69 110.756 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.3 96.75 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 118.221 0.464 . . . . 6.37 110.336 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 87.8 mt-30 -58.02 -43.93 86.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.765 -0.774 . . . . 18.18 112.055 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.69 -37.24 79.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.048 -1.061 . . . . 16.22 111.115 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -63.16 -41.58 99.27 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 119.42 -0.912 . . . . 12.28 110.926 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.13 -48.46 81.55 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.336 0.517 . . . . 10.18 110.702 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -59.11 -48.42 81.68 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 121.443 0.639 . . . . 15.3 111.173 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.22 -33.07 75.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 119.872 -0.731 . . . . 8.43 110.816 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -66.92 -45.7 77.09 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.675 -0.41 . . . . 10.17 111.735 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . 0.659 HG22 ' OG ' ' A' ' 27' ' ' SER . 72.1 t -59.69 -42.22 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 C-N-CA 119.52 -0.872 . . . . 10.74 110.303 176.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' NZ ' ' O ' ' A' ' 128' ' ' HOH . 42.8 tptt -64.18 -41.41 97.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.377 -0.929 . . . . 22.94 112.133 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -56.81 -43.53 81.07 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.334 0.396 . . . . 32.07 111.367 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -95.54 -21.8 18.05 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.785 0.803 . . . . 28.85 111.022 -167.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -116.06 -18.54 10.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 118.189 -2.82 . . . . 13.86 116.08 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.87 -1.64 85.29 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 117.668 -1.629 . . . . 16.83 116.254 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -140.81 160.25 40.44 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 118.854 1.327 . . . . 26.14 110.996 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -81.85 167.47 18.97 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.685 -1.598 . . . . 20.24 108.528 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 p90 . . . . . 0 C--O 1.255 1.354 0 CA-C-O 116.139 -1.886 . . . . 27.16 113.629 175.655 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.4 ' O ' ' NZ ' ' A' ' 82' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.661 ' O ' ' HE2' ' A' ' 48' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 C--O 1.27 2.174 1 CA-C-O 129.5 4.476 . . . . 72.92 117.159 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.35 172.42 46.59 Favored Glycine 0 C--N 1.352 1.455 1 O-C-N 113.697 -5.627 . . . . 33.72 113.185 175.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.81 166.4 25.33 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 O-C-N 126.817 3.009 . . . . 24.46 111.58 -171.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.33 128.36 34.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.674 -1.603 . . . . 21.4 109.695 170.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.436 HD11 ' HG2' ' A' ' 67' ' ' GLN . 34.6 pt -135.6 171.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 122.863 1.316 . . . . 14.16 108.103 -179.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -122.88 142.83 50.36 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 113.557 -1.656 . . . . 11.92 110.796 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 m -137.93 152.44 48.98 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.204 -1.035 . . . . 14.19 108.204 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.27 148.53 39.05 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.44 -0.8 . . . . 9.1 109.843 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.5 158.02 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 106.749 -1.574 . . . . 14.04 106.749 170.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 p -116.21 138.82 50.96 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.155 -0.93 . . . . 16.56 110.724 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 20' ' ' ILE . 62.1 mt -127.73 130.81 23.61 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 108.039 -1.097 . . . . 21.36 108.039 179.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -51.22 140.64 41.33 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 CA-C-N 121.006 1.395 . . . . 12.99 111.3 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.53 -34.93 71.53 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.476 -1.29 . . . . 23.61 113.538 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.7 -9.06 58.4 Favored 'General case' 0 C--O 1.253 1.246 0 C-N-CA 120.042 -0.663 . . . . 19.47 112.232 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -105.56 -16.84 14.6 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.062 0.846 . . . . 16.16 112.356 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' HG23 ' A' ' 20' ' ' ILE . . . -61.53 -28.29 69.21 Favored 'General case' 0 C--O 1.262 1.742 0 CA-C-O 117.739 -1.124 . . . . 15.28 112.389 -168.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.29 -25.06 24.94 Favored Glycine 0 C--O 1.282 3.098 0 CA-C-N 121.021 1.737 . . . . 20.01 113.39 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . 0.659 ' OG ' HG22 ' A' ' 81' ' ' VAL . 58.4 m -56.06 -28.16 56.39 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 120.088 1.944 . . . . 21.01 112.454 178.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -99.51 -3.89 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 113.042 0.756 . . . . 16.07 113.042 -172.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' GLY . 24.5 mm -97.93 -66.22 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-O 116.097 -1.906 . . . . 23.3 112.36 -175.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 29' ' ' ILE . . . 86.77 164.43 39.9 Favored Glycine 0 N--CA 1.447 -0.623 0 O-C-N 126.43 2.332 . . . . 21.78 112.367 179.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -60.99 132.31 53.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 117.473 -1.691 . . . . 38.42 109.011 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.74 14.16 60.16 Favored Glycine 0 C--O 1.257 1.562 0 O-C-N 125.842 1.964 . . . . 23.61 111.465 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 22.94 74.75 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-O 117.112 -1.938 . . . . 17.08 110.076 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 18.0 pt20 -63.09 -36.17 82.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 119.38 1.59 . . . . 44.0 111.488 -174.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -68.24 -50.41 54.15 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 118.993 -1.083 . . . . 23.41 109.576 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 49' ' ' ILE . 10.7 tp -64.05 -37.26 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 119.165 -1.014 . . . . 13.47 108.58 -175.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -58.35 -43.62 88.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.572 0.701 . . . . 33.69 110.334 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 96.0 mt-30 -67.86 -37.83 82.34 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.401 0.519 . . . . 36.15 112.401 179.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.58 -42.28 92.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 121.951 -0.468 . . . . 13.09 110.145 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -57.23 -49.24 76.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.91 1.338 . . . . 8.3 110.441 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.98 -45.53 90.35 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 123.536 1.636 . . . . 40.8 112.162 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.62 -39.03 80.99 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.957 1.36 . . . . 27.83 113.681 -176.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.2 p -83.1 -28.5 29.43 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.364 -1.46 . . . . 8.47 113.887 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.42 88.72 Favored Glycine 0 C--O 1.246 0.877 0 N-CA-C 115.277 0.871 . . . . 7.58 115.277 -170.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 152.42 19.9 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.256 1.028 . . . . 6.7 110.966 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 m -79.75 136.03 36.66 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.308 -1.315 . . . . 7.62 107.828 165.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.3 mt -140.28 125.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.379 -1.341 . . . . 7.89 107.379 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HE2' ' O ' ' A' ' 141' ' ' HOH . 3.8 ttpm? -131.55 159.76 37.27 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.077 1.751 . . . . 29.77 110.011 -175.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 36' ' ' ILE . 16.5 tt -116.35 131.42 68.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 127.268 3.413 . . . . 27.26 108.177 172.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -59.04 171.33 0.71 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 112.423 -2.171 . . . . 25.79 114.136 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.25 152.8 95.56 Favored Pre-proline 0 N--CA 1.483 1.191 0 C-N-CA 118.135 -1.426 . . . . 35.75 108.571 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -70.62 -22.33 28.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 N-CA-C 117.489 2.073 . . . . 25.67 117.489 -167.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.93 14.76 28.93 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-N 118.522 0.601 . . . . 34.83 111.501 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.56 26.44 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 128.076 3.798 . . . . 80.06 106.026 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.15 -144.46 34.74 Favored Glycine 0 N--CA 1.434 -1.495 1 C-N-CA 113.573 -4.156 . . . . 37.05 120.853 163.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 34.15 178.12 0.0 OUTLIER 'General case' 0 C--O 1.253 1.271 0 N-CA-C 106.184 -1.784 . . . . 38.78 106.184 -168.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.4 -5.91 51.46 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 117.281 -1.342 . . . . 28.86 111.766 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -123.3 153.48 40.19 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 114.311 1.226 . . . . 30.44 114.311 -172.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -95.64 142.19 28.24 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 124.645 1.216 . . . . 20.3 108.898 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.2 mt -100.5 125.77 54.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.99 0.9 . . . . 15.16 109.518 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.22 127.54 65.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.902 -1.518 . . . . 19.51 106.902 179.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -108.55 124.44 50.47 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.954 -0.758 . . . . 7.52 108.954 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 mt -118.7 125.78 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.775 -1.565 . . . . 8.52 106.775 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -129.02 125.43 37.32 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.372 -0.377 . . . . 11.18 110.453 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.78 -165.64 38.5 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 108.974 -1.65 . . . . 6.72 108.974 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.3 p -68.72 164.27 22.1 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.277 -0.969 . . . . 9.55 109.061 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 122' ' ' HOH . 8.0 tp-100 -57.47 -38.54 74.68 Favored 'General case' 0 CA--C 1.499 -1.0 0 C-N-CA 119.447 -0.901 . . . . 27.79 112.092 177.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.286 52.9 m-20 -66.13 -41.98 89.73 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 120.156 -1.59 . . . . 12.35 113.031 178.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.63 -41.88 98.1 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 119.875 -0.73 . . . . 7.94 111.414 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 68.8 mt -61.28 -45.41 98.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 O-C-N 122.161 -0.337 . . . . 8.54 110.574 178.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -61.06 -45.3 95.33 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 120.15 -0.62 . . . . 34.44 109.959 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.09 -40.77 96.96 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.56 -0.856 . . . . 6.69 110.756 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.3 96.75 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 118.221 0.464 . . . . 6.37 110.336 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 87.8 mt-30 -58.02 -43.93 86.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.765 -0.774 . . . . 18.18 112.055 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.69 -37.24 79.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.048 -1.061 . . . . 16.22 111.115 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -63.16 -41.58 99.27 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 119.42 -0.912 . . . . 12.28 110.926 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.13 -48.46 81.55 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.336 0.517 . . . . 10.18 110.702 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -59.11 -48.42 81.68 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 121.443 0.639 . . . . 15.3 111.173 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.22 -33.07 75.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 119.872 -0.731 . . . . 8.43 110.816 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -66.92 -45.7 77.09 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.675 -0.41 . . . . 10.17 111.735 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.659 HG22 ' OG ' ' A' ' 27' ' ' SER . 72.1 t -59.69 -42.22 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 C-N-CA 119.52 -0.872 . . . . 10.74 110.303 176.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' NZ ' ' O ' ' A' ' 128' ' ' HOH . 42.8 tptt -64.18 -41.41 97.12 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 119.377 -0.929 . . . . 22.94 112.133 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -56.81 -43.53 81.07 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.334 0.396 . . . . 32.07 111.367 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -95.54 -21.8 18.05 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.785 0.803 . . . . 28.85 111.022 -167.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -116.06 -18.54 10.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 118.189 -2.82 . . . . 13.86 116.08 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.87 -1.64 85.29 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 117.668 -1.629 . . . . 16.83 116.254 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -140.81 160.25 40.44 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 118.854 1.327 . . . . 26.14 110.996 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -81.85 167.47 18.97 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.685 -1.598 . . . . 20.24 108.528 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 p90 . . . . . 0 C--O 1.255 1.354 0 CA-C-O 116.139 -1.886 . . . . 27.16 113.629 175.655 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 . . . . . 0.486 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.4 ' O ' ' NZ ' ' A' ' 82' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.661 ' O ' ' HE2' ' A' ' 48' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_