data_6o6k_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6o6k _Structure_validation_residue.Date_analyzed 2020-03-06 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' ' ' MET . . . . . 0.626 ' N ' ' OD2' ' B' ' 40' ' ' ASP . 4.7 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.636 0.255 . . . . 77.42 111.135 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -100.52 -172.49 2.21 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.627 0.727 . . . . 101.39 109.766 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -73.87 -29.9 62.34 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.164 -0.614 . . . . 104.46 112.038 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -68.76 -46.47 68.74 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.353 -0.539 . . . . 106.68 111.096 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.32 -41.87 76.72 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.696 -0.401 . . . . 83.43 111.006 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 tp -65.95 -39.81 90.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.567 -0.453 . . . . 75.86 111.226 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.11 -45.03 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.106 0.479 . . . . 90.92 110.258 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.79 -39.25 90.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.092 -0.643 . . . . 107.18 111.364 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.16 -38.75 80.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.934 -0.706 . . . . 94.83 110.527 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 121.856 -0.527 . . . . 104.97 110.32 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 -36.85 84.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.352 -0.539 . . . . 126.94 111.368 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -75.09 -32.36 61.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.179 -0.608 . . . . 143.12 112.095 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.79 -56.46 3.69 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.536 -0.466 . . . . 122.12 111.63 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 2.09 4.22 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.503 0.927 . . . . 139.21 113.503 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 59.52 49.26 8.75 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.617 0.722 . . . . 172.52 110.768 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -126.76 162.77 25.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.5 0.667 . . . . 130.63 109.847 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -73.8 160.58 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.386 -0.824 . . . . 141.18 110.007 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -62.11 -36.14 80.85 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.473 -0.785 . . . . 132.27 111.335 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -70.95 -35.83 72.35 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.325 -0.55 . . . . 151.05 111.197 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.96 -42.08 90.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.934 -0.706 . . . . 161.64 111.384 177.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.04 96.91 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.346 -0.542 . . . . 128.79 111.067 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -53.27 -53.62 48.23 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.016 0.436 . . . . 140.91 111.174 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.35 -41.02 94.3 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.543 -0.298 . . . . 154.55 111.424 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.54 94.35 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.454 -0.498 . . . . 127.17 111.342 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.39 -43.21 70.52 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.116 -0.634 . . . . 117.75 111.343 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.87 -41.97 92.69 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.755 -0.778 . . . . 154.41 110.833 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.0 m -63.66 -41.02 98.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.108 -0.237 . . . . 166.2 111.402 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 m -61.93 -45.87 91.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 139.34 110.873 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 33' ' ' THR . 73.0 mt -66.56 -41.02 89.26 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.835 -0.746 . . . . 146.65 111.095 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.37 86.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.236 -0.586 . . . . 175.66 111.2 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.54 70.51 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.128 -0.357 . . . . 179.39 111.323 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.95 -39.49 82.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 119.887 -0.725 . . . . 178.68 110.159 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 29' ' ' LEU . 2.2 m -62.95 -48.01 80.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.934 -0.479 . . . . 198.07 111.065 179.166 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.63 -29.35 69.36 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.597 -0.441 . . . . 236.33 111.829 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 t -72.41 -43.25 64.15 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.981 -0.687 . . . . 222.11 111.137 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.01 -15.13 61.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.869 -0.789 . . . . 229.82 108.869 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -57.26 -29.8 64.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.658 0.614 . . . . 263.75 112.658 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.05 31.8 6.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.565 1.32 . . . . 260.74 114.565 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.58 -19.86 2.4 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 115.832 1.093 . . . . 245.3 115.832 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.05 121.82 17.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.697 1.248 . . . . 244.4 110.04 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.1 170.72 14.33 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.989 0.899 . . . . 183.66 110.485 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -126.83 118.82 51.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 107.764 -1.199 . . . . 160.31 107.764 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -108.99 111.03 22.47 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.39 -0.596 . . . . 147.16 109.39 -175.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.6 mt -108.98 95.3 5.55 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.484 -1.672 . . . . 105.03 106.484 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.46 140.03 19.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.44 0.638 . . . . 109.92 109.709 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.91 -3.01 85.48 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 119.058 -0.857 . . . . 82.74 114.965 -175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -130.3 -60.91 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.403 1.102 . . . . 72.13 110.593 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.69 -161.63 31.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.903 -1.141 . . . . 101.12 111.911 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.4 m -149.08 127.55 12.29 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.572 -0.814 . . . . 136.46 109.324 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.52 113.61 25.78 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.457 -0.942 . . . . 153.71 108.457 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' A' ' 53' ' ' ASN . 21.6 pttp -125.41 -173.33 2.8 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.965 0.412 . . . . 184.72 110.341 177.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.04 122.22 16.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.636 -0.876 . . . . 212.03 108.636 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 5.2 m-20 -91.04 109.4 20.65 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.151 -0.685 . . . . 226.88 109.151 -179.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.48 143.41 28.56 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.243 -0.651 . . . . 187.87 109.243 168.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -116.86 152.41 34.54 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.813 -0.44 . . . . 188.32 109.813 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.07 -52.12 5.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 117.79 -1.1 . . . . 189.14 111.12 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -151.72 128.71 11.03 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.032 -1.467 . . . . 193.06 114.318 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -58.71 -52.75 64.37 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 125.085 1.491 . . . . 196.42 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p 57.45 -141.78 0.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.23 0.956 . . . . 209.2 109.414 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.52 123.32 3.16 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.499 -1.723 . . . . 202.46 111.063 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.129 -1.415 . . . . 188.73 108.445 179.877 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.707 0.289 . . . . 172.8 111.16 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.36 132.37 21.02 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 108.794 -0.817 . . . . 193.08 108.794 -174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -66.83 148.56 82.63 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 CA-C-N 119.374 0.812 . . . . 189.72 111.474 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.91 163.0 40.16 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.837 -0.801 . . . . 138.64 108.837 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -132.29 132.12 42.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.351 -0.84 . . . . 115.91 109.197 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 t -109.47 113.91 45.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.164 -1.421 . . . . 112.49 107.164 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 p -67.65 146.82 53.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.697 0.76 . . . . 117.66 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.93 -179.83 49.96 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-O 122.341 0.967 . . . . 90.5 112.771 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.69 -49.69 61.44 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.786 -0.707 . . . . 116.68 111.46 -176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.73 85.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.576 -0.449 . . . . 101.44 111.389 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.24 -53.22 56.42 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.948 0.404 . . . . 101.36 111.101 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.68 -31.41 71.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.612 -0.435 . . . . 119.16 111.719 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -73.84 -37.83 64.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.711 . . . . 130.55 111.336 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.25 -20.99 60.72 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.843 0.682 . . . . 111.04 112.843 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.45 -36.09 15.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 119.769 -0.772 . . . . 150.3 111.008 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.384 0.883 . . . . 158.18 113.384 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.5 ttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.673 0.273 . . . . 186.68 110.931 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -102.14 -178.64 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.942 0.877 . . . . 159.89 110.323 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.39 -35.21 79.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.475 -0.784 . . . . 162.62 112.018 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.2 m -71.03 -43.66 67.44 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.263 -0.575 . . . . 165.78 111.444 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -61.52 -36.89 81.82 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.369 -0.532 . . . . 179.63 110.974 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.04 -39.29 90.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.414 -0.515 . . . . 156.94 111.136 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.94 -38.61 82.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.653 -0.419 . . . . 148.4 110.272 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' NZ ' ' B' ' 18' ' ' LYS . 75.6 m-20 -60.14 -50.89 71.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.516 -0.474 . . . . 184.54 111.133 175.495 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.28 -38.33 79.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.648 -0.421 . . . . 165.64 110.665 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.185 0.517 . . . . 158.02 110.388 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.54 -25.44 67.3 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.333 0.494 . . . . 162.38 112.333 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -89.21 -31.18 18.04 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.689 0.996 . . . . 217.81 113.689 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -73.07 -47.06 47.89 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.678 0.672 . . . . 176.09 111.451 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.12 3.01 54.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.963 0.727 . . . . 153.37 112.963 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 56.08 48.31 17.88 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.776 0.798 . . . . 180.25 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -107.32 167.56 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 161.87 109.746 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -78.52 171.88 14.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.939 0.876 . . . . 148.44 110.441 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' B' ' 8' ' ' ASP . 22.8 mmmt -63.82 -47.54 80.41 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.185 -0.916 . . . . 133.38 110.734 176.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.0 m -62.66 -42.93 99.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.93 -0.308 . . . . 143.74 111.281 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -60.44 -47.76 84.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.955 -0.298 . . . . 142.07 111.398 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.55 92.61 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.395 -0.522 . . . . 115.91 111.432 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.22 -49.39 77.8 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.101 -0.64 . . . . 123.43 110.918 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.58 85.98 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.658 -0.417 . . . . 115.94 111.271 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.68 94.77 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.719 -0.393 . . . . 94.66 111.325 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.85 -44.46 73.32 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 119.875 -0.73 . . . . 95.05 111.373 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.18 -38.64 89.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.96 -0.696 . . . . 125.42 110.962 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -67.52 -40.19 85.11 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.475 -0.49 . . . . 107.5 111.267 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -57.69 -51.55 69.07 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.915 0.388 . . . . 92.96 111.023 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.14 -42.99 96.59 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.081 -0.648 . . . . 79.87 111.506 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.39 87.5 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.534 -0.466 . . . . 91.37 111.501 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.8 81.66 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.44 -0.504 . . . . 96.66 111.061 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.6 mt -61.17 -41.67 90.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.196 -0.601 . . . . 82.17 110.509 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -66.33 -42.91 87.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.776 -0.77 . . . . 92.78 111.334 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.99 -40.47 93.6 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.39 -0.524 . . . . 169.62 111.301 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -65.04 -47.37 77.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.581 -0.447 . . . . 104.42 111.026 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.21 -23.5 66.45 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.22 0.452 . . . . 106.42 112.22 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -66.9 -28.38 68.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.748 -0.381 . . . . 143.23 111.454 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -96.61 12.62 31.07 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.603 0.594 . . . . 154.17 112.603 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.58 41.8 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 115.891 1.116 . . . . 119.37 115.891 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . 0.626 ' OD2' ' N ' ' A' ' 1' ' ' MET . 19.0 t70 -84.21 135.46 34.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.938 1.369 . . . . 132.21 109.73 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.01 171.17 15.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.095 0.95 . . . . 93.59 110.885 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.61 104.45 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.875 -1.898 . . . . 100.04 105.875 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -98.22 115.66 28.81 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.481 -0.933 . . . . 131.59 108.481 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.5 mt -111.23 101.33 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.128 -1.805 . . . . 114.99 106.128 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.26 126.73 26.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.308 -0.627 . . . . 150.8 109.308 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.61 60.1 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 119.092 -0.838 . . . . 135.25 114.533 -172.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -135.69 -62.14 0.7 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.199 1.0 . . . . 124.49 110.754 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.65 -173.41 39.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.086 -1.054 . . . . 107.03 111.801 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.0 m -126.78 121.71 32.72 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.453 -0.874 . . . . 116.57 109.559 -173.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.45 127.97 35.52 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.776 -0.824 . . . . 82.18 108.776 169.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -145.18 179.36 7.42 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.684 0.754 . . . . 147.31 109.693 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.14 128.38 61.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.491 -0.929 . . . . 125.19 108.491 -173.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -104.76 126.66 52.06 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.503 -0.554 . . . . 134.03 109.503 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 175.92 110.649 179.623 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 111.714 0.264 . . . . 149.93 111.714 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.82 141.17 40.27 Favored Pre-proline 0 C--O 1.241 0.622 0 N-CA-C 109.438 -0.578 . . . . 118.06 109.438 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.5 155.31 28.07 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 120.683 0.922 . . . . 110.35 111.548 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.4 167.63 29.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.894 -1.048 . . . . 99.67 108.958 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -138.72 142.71 38.9 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.91 -1.041 . . . . 88.19 109.369 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.7 t -127.94 113.03 29.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.61 -1.256 . . . . 120.5 107.61 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.3 p -66.96 166.75 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.083 0.944 . . . . 142.73 110.858 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.95 174.22 22.24 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.233 -0.894 . . . . 152.84 112.32 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -60.48 -52.28 65.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.936 -0.632 . . . . 197.35 111.099 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -14.1 24.34 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.959 0.726 . . . . 157.59 112.959 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.45 -44.46 9.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.464 0.575 . . . . 156.16 111.484 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.69 -38.48 85.14 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.531 -0.468 . . . . 169.67 111.22 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -66.3 -45.04 81.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.667 -0.413 . . . . 205.62 110.932 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -20.39 65.59 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.421 -0.512 . . . . 167.97 112.126 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . 0.423 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 77.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 118.088 0.404 . . . . 202.77 110.344 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.518 -0.217 0 C3'-C2'-C1' 102.145 -0.396 . . . . 211.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DT' . . . . . 0.649 ' O2 ' ' N1 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.6 -0.59 0 O3'-P-O5' 103.008 -0.522 . . . . 217.09 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.595 0 C3'-C2'-C1' 101.846 -0.61 . . . . 204.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.504 0 O4'-C1'-N19 108.826 1.282 . . . . 193.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.827 2.534 . . . . 184.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.677 0 C3'-C2'-C1' 100.731 -1.406 . . . . 156.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.414 -1.608 0 C4'-C3'-C2' 101.316 -1.884 . . . . 164.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.429 0 C3'-C2'-C1' 100.93 -1.264 . . . . 171.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.408 -1.734 0 C3'-C2'-C1' 100.19 -1.793 . . . . 163.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.408 -1.755 0 O4'-C1'-N19 109.44 2.05 . . . . 169.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C3'-C2'-C1' 100.711 -1.42 . . . . 143.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.411 -1.534 0 O4'-C1'-N19 108.611 1.014 . . . . 128.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.414 -1.304 0 O4'-C1'-N19 109.282 1.853 . . . . 136.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 C3'-C2'-C1' 99.852 -2.034 . . . . 125.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 P-O3'-C3' 120.769 0.891 . . . . 131.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 C3'-C2'-C1' 100.031 -1.907 . . . . 138.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.586 0 O4'-C1'-C2' 104.687 -1.284 . . . . 145.08 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.304 0 C3'-C2'-C1' 100.295 -1.718 . . . . 149.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.535 0 O4'-C4'-C3' 106.845 1.245 . . . . 177.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.649 ' N1 ' ' O2 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.45 0 O4'-C1'-C2' 107.651 1.41 . . . . 187.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HE1' HD13 ' A' ' 6' ' ' LEU . 4.7 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.636 0.255 . . . . 77.42 111.135 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -100.52 -172.49 2.21 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.627 0.727 . . . . 101.39 109.766 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -73.87 -29.9 62.34 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.164 -0.614 . . . . 104.46 112.038 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -68.76 -46.47 68.74 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.353 -0.539 . . . . 106.68 111.096 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.32 -41.87 76.72 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.696 -0.401 . . . . 83.43 111.006 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD13 ' HE1' ' A' ' 1' ' ' MET . 24.4 tp -65.95 -39.81 90.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.567 -0.453 . . . . 75.86 111.226 -179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.11 -45.03 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.106 0.479 . . . . 90.92 110.258 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.79 -39.25 90.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.092 -0.643 . . . . 107.18 111.364 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.16 -38.75 80.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.934 -0.706 . . . . 94.83 110.527 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 121.856 -0.527 . . . . 104.97 110.32 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 -36.85 84.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.352 -0.539 . . . . 126.94 111.368 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -75.09 -32.36 61.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.179 -0.608 . . . . 143.12 112.095 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.79 -56.46 3.69 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.536 -0.466 . . . . 122.12 111.63 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 2.09 4.22 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.503 0.927 . . . . 139.21 113.503 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 59.52 49.26 8.75 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.617 0.722 . . . . 172.52 110.768 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -126.76 162.77 25.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.5 0.667 . . . . 130.63 109.847 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -73.8 160.58 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.386 -0.824 . . . . 141.18 110.007 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -62.11 -36.14 80.85 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.473 -0.785 . . . . 132.27 111.335 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -70.95 -35.83 72.35 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.325 -0.55 . . . . 151.05 111.197 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.96 -42.08 90.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.934 -0.706 . . . . 161.64 111.384 177.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.04 96.91 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.346 -0.542 . . . . 128.79 111.067 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -53.27 -53.62 48.23 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.016 0.436 . . . . 140.91 111.174 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.35 -41.02 94.3 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.543 -0.298 . . . . 154.55 111.424 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.54 94.35 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.454 -0.498 . . . . 127.17 111.342 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.39 -43.21 70.52 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.116 -0.634 . . . . 117.75 111.343 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.87 -41.97 92.69 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.755 -0.778 . . . . 154.41 110.833 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.0 m -63.66 -41.02 98.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.108 -0.237 . . . . 166.2 111.402 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 m -61.93 -45.87 91.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 139.34 110.873 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.56 -41.02 89.26 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.835 -0.746 . . . . 146.65 111.095 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.37 86.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.236 -0.586 . . . . 175.66 111.2 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.54 70.51 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.128 -0.357 . . . . 179.39 111.323 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.95 -39.49 82.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 119.887 -0.725 . . . . 178.68 110.159 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -62.95 -48.01 80.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.934 -0.479 . . . . 198.07 111.065 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.63 -29.35 69.36 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.597 -0.441 . . . . 236.33 111.829 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 t -72.41 -43.25 64.15 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.981 -0.687 . . . . 222.11 111.137 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -73.01 -15.13 61.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.869 -0.789 . . . . 229.82 108.869 177.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -57.26 -29.8 64.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.658 0.614 . . . . 263.75 112.658 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.05 31.8 6.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.565 1.32 . . . . 260.74 114.565 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.58 -19.86 2.4 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 115.832 1.093 . . . . 245.3 115.832 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.05 121.82 17.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.697 1.248 . . . . 244.4 110.04 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.1 170.72 14.33 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.989 0.899 . . . . 183.66 110.485 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -126.83 118.82 51.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 107.764 -1.199 . . . . 160.31 107.764 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -108.99 111.03 22.47 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.39 -0.596 . . . . 147.16 109.39 -175.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.6 mt -108.98 95.3 5.55 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.484 -1.672 . . . . 105.03 106.484 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.46 140.03 19.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.44 0.638 . . . . 109.92 109.709 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.91 -3.01 85.48 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 119.058 -0.857 . . . . 82.74 114.965 -175.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -130.3 -60.91 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.403 1.102 . . . . 72.13 110.593 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.69 -161.63 31.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.903 -1.141 . . . . 101.12 111.911 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.4 m -149.08 127.55 12.29 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.572 -0.814 . . . . 136.46 109.324 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.52 113.61 25.78 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.457 -0.942 . . . . 153.71 108.457 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 53' ' ' ASN . 21.6 pttp -125.41 -173.33 2.8 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.965 0.412 . . . . 184.72 110.341 177.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 75' ' ' ASN . 1.9 p -140.04 122.22 16.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.636 -0.876 . . . . 212.03 108.636 -177.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 5.2 m-20 -91.04 109.4 20.65 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.151 -0.685 . . . . 226.88 109.151 -179.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.48 143.41 28.56 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.243 -0.651 . . . . 187.87 109.243 168.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -116.86 152.41 34.54 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.813 -0.44 . . . . 188.32 109.813 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.07 -52.12 5.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 117.79 -1.1 . . . . 189.14 111.12 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -151.72 128.71 11.03 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.032 -1.467 . . . . 193.06 114.318 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -58.71 -52.75 64.37 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 125.085 1.491 . . . . 196.42 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p 57.45 -141.78 0.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.23 0.956 . . . . 209.2 109.414 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.52 123.32 3.16 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.499 -1.723 . . . . 202.46 111.063 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.129 -1.415 . . . . 188.73 108.445 179.877 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.707 0.289 . . . . 172.8 111.16 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.36 132.37 21.02 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 108.794 -0.817 . . . . 193.08 108.794 -174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -66.83 148.56 82.63 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 CA-C-N 119.374 0.812 . . . . 189.72 111.474 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.91 163.0 40.16 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.837 -0.801 . . . . 138.64 108.837 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 79' ' ' PHE . 52.7 t80 -132.29 132.12 42.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.351 -0.84 . . . . 115.91 109.197 -176.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 t -109.47 113.91 45.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.164 -1.421 . . . . 112.49 107.164 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 p -67.65 146.82 53.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.697 0.76 . . . . 117.66 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.93 -179.83 49.96 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-O 122.341 0.967 . . . . 90.5 112.771 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.69 -49.69 61.44 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.786 -0.707 . . . . 116.68 111.46 -176.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.73 85.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.576 -0.449 . . . . 101.44 111.389 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.24 -53.22 56.42 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.948 0.404 . . . . 101.36 111.101 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.68 -31.41 71.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.612 -0.435 . . . . 119.16 111.719 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -73.84 -37.83 64.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.711 . . . . 130.55 111.336 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.25 -20.99 60.72 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.843 0.682 . . . . 111.04 112.843 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.45 -36.09 15.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 119.769 -0.772 . . . . 150.3 111.008 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.384 0.883 . . . . 158.18 113.384 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.5 ttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.673 0.273 . . . . 186.68 110.931 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -102.14 -178.64 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.942 0.877 . . . . 159.89 110.323 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.39 -35.21 79.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.475 -0.784 . . . . 162.62 112.018 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.2 m -71.03 -43.66 67.44 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.263 -0.575 . . . . 165.78 111.444 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -61.52 -36.89 81.82 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.369 -0.532 . . . . 179.63 110.974 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.04 -39.29 90.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.414 -0.515 . . . . 156.94 111.136 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.94 -38.61 82.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.653 -0.419 . . . . 148.4 110.272 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.14 -50.89 71.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.516 -0.474 . . . . 184.54 111.133 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.28 -38.33 79.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.648 -0.421 . . . . 165.64 110.665 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.185 0.517 . . . . 158.02 110.388 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.54 -25.44 67.3 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.333 0.494 . . . . 162.38 112.333 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -89.21 -31.18 18.04 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.689 0.996 . . . . 217.81 113.689 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -73.07 -47.06 47.89 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.678 0.672 . . . . 176.09 111.451 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.12 3.01 54.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.963 0.727 . . . . 153.37 112.963 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 56.08 48.31 17.88 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.776 0.798 . . . . 180.25 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -107.32 167.56 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 161.87 109.746 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -78.52 171.88 14.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.939 0.876 . . . . 148.44 110.441 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -63.82 -47.54 80.41 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.185 -0.916 . . . . 133.38 110.734 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.0 m -62.66 -42.93 99.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.93 -0.308 . . . . 143.74 111.281 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -60.44 -47.76 84.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.955 -0.298 . . . . 142.07 111.398 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.55 92.61 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.395 -0.522 . . . . 115.91 111.432 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.22 -49.39 77.8 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.101 -0.64 . . . . 123.43 110.918 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.58 85.98 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.658 -0.417 . . . . 115.94 111.271 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.68 94.77 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.719 -0.393 . . . . 94.66 111.325 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.85 -44.46 73.32 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 119.875 -0.73 . . . . 95.05 111.373 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.18 -38.64 89.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.96 -0.696 . . . . 125.42 110.962 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -67.52 -40.19 85.11 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.475 -0.49 . . . . 107.5 111.267 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -57.69 -51.55 69.07 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.915 0.388 . . . . 92.96 111.023 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.14 -42.99 96.59 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.081 -0.648 . . . . 79.87 111.506 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.39 87.5 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.534 -0.466 . . . . 91.37 111.501 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.8 81.66 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.44 -0.504 . . . . 96.66 111.061 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.6 mt -61.17 -41.67 90.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.196 -0.601 . . . . 82.17 110.509 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -66.33 -42.91 87.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.776 -0.77 . . . . 92.78 111.334 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.99 -40.47 93.6 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.39 -0.524 . . . . 169.62 111.301 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -65.04 -47.37 77.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.581 -0.447 . . . . 104.42 111.026 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.21 -23.5 66.45 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.22 0.452 . . . . 106.42 112.22 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -66.9 -28.38 68.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.748 -0.381 . . . . 143.23 111.454 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -96.61 12.62 31.07 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.603 0.594 . . . . 154.17 112.603 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . 0.531 ' HA2' HG11 ' B' ' 52' ' ' VAL . . . 77.12 -6.58 41.8 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 115.891 1.116 . . . . 119.37 115.891 176.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 1' ' ' MET . 19.0 t70 -84.21 135.46 34.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.938 1.369 . . . . 132.21 109.73 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.01 171.17 15.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.095 0.95 . . . . 93.59 110.885 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.61 104.45 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.875 -1.898 . . . . 100.04 105.875 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -98.22 115.66 28.81 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.481 -0.933 . . . . 131.59 108.481 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.5 mt -111.23 101.33 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.128 -1.805 . . . . 114.99 106.128 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.26 126.73 26.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.308 -0.627 . . . . 150.8 109.308 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.61 60.1 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 119.092 -0.838 . . . . 135.25 114.533 -172.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -135.69 -62.14 0.7 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.199 1.0 . . . . 124.49 110.754 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.65 -173.41 39.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.086 -1.054 . . . . 107.03 111.801 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.0 m -126.78 121.71 32.72 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.453 -0.874 . . . . 116.57 109.559 -173.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.45 127.97 35.52 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.776 -0.824 . . . . 82.18 108.776 169.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -145.18 179.36 7.42 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.684 0.754 . . . . 147.31 109.693 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . 0.531 HG11 ' HA2' ' B' ' 39' ' ' GLY . 1.0 OUTLIER -131.14 128.38 61.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.491 -0.929 . . . . 125.19 108.491 -173.733 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -104.76 126.66 52.06 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.503 -0.554 . . . . 134.03 109.503 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 175.92 110.649 179.623 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 111.714 0.264 . . . . 149.93 111.714 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.82 141.17 40.27 Favored Pre-proline 0 C--O 1.241 0.622 0 N-CA-C 109.438 -0.578 . . . . 118.06 109.438 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.5 155.31 28.07 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 120.683 0.922 . . . . 110.35 111.548 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.4 167.63 29.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.894 -1.048 . . . . 99.67 108.958 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 57.7 t80 -138.72 142.71 38.9 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.91 -1.041 . . . . 88.19 109.369 -174.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.7 t -127.94 113.03 29.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.61 -1.256 . . . . 120.5 107.61 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' SER . . . . . 0.432 ' HB2' HD23 ' B' ' 85' ' ' LEU . 77.3 p -66.96 166.75 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.083 0.944 . . . . 142.73 110.858 -177.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.95 174.22 22.24 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.233 -0.894 . . . . 152.84 112.32 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -60.48 -52.28 65.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.936 -0.632 . . . . 197.35 111.099 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -14.1 24.34 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.959 0.726 . . . . 157.59 112.959 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' B' ' 81' ' ' SER . 41.3 tp -91.45 -44.46 9.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.464 0.575 . . . . 156.16 111.484 173.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.69 -38.48 85.14 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.531 -0.468 . . . . 169.67 111.22 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -66.3 -45.04 81.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.667 -0.413 . . . . 205.62 110.932 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -20.39 65.59 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.421 -0.512 . . . . 167.97 112.126 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 75' ' ' ASN . 77.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 118.088 0.404 . . . . 202.77 110.344 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.518 -0.217 0 C3'-C2'-C1' 102.145 -0.396 . . . . 211.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DT' . . . . . 0.801 ' H3 ' ' H61' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.6 -0.59 0 O3'-P-O5' 103.008 -0.522 . . . . 217.09 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DT' . . . . . 0.621 H2'' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 P--O3' 1.6 -0.595 0 C3'-C2'-C1' 101.846 -0.61 . . . . 204.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DT' . . . . . 0.621 ' H72' H2'' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.533 1.504 0 O4'-C1'-N19 108.826 1.282 . . . . 193.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.827 2.534 . . . . 184.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DA' . . . . . 0.461 H2'' H5'' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.677 0 C3'-C2'-C1' 100.731 -1.406 . . . . 156.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DT' . . . . . 0.461 H5'' H2'' ' C' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.414 -1.608 0 C4'-C3'-C2' 101.316 -1.884 . . . . 164.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DG' . . . . . 0.41 ' C8 ' H2'' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.429 0 C3'-C2'-C1' 100.93 -1.264 . . . . 171.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DA' . . . . . 0.47 H2'' ' C6 ' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.408 -1.734 0 C3'-C2'-C1' 100.19 -1.793 . . . . 163.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DT' . . . . . 0.47 ' C6 ' H2'' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.408 -1.755 0 O4'-C1'-N19 109.44 2.05 . . . . 169.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C3'-C2'-C1' 100.711 -1.42 . . . . 143.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.411 -1.534 0 O4'-C1'-N19 108.611 1.014 . . . . 128.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ' DT' . . . . . 0.452 H2'' ' C6 ' ' D' ' 4' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.414 -1.304 0 O4'-C1'-N19 109.282 1.853 . . . . 136.41 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ' DC' . . . . . 0.529 H2'' ' C8 ' ' D' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 C3'-C2'-C1' 99.852 -2.034 . . . . 125.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ' DA' . . . . . 0.529 ' C8 ' H2'' ' D' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 P-O3'-C3' 120.769 0.891 . . . . 131.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ' DT' . . . . . 0.567 H2'' ' C8 ' ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 C3'-C2'-C1' 100.031 -1.907 . . . . 138.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ' DG' . . . . . 0.567 ' C8 ' H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.534 1.586 0 O4'-C1'-C2' 104.687 -1.284 . . . . 145.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.304 0 C3'-C2'-C1' 100.295 -1.718 . . . . 149.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.535 0 O4'-C4'-C3' 106.845 1.245 . . . . 177.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ' DA' . . . . . 0.801 ' H61' ' H3 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.45 0 O4'-C1'-C2' 107.651 1.41 . . . . 187.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HE1' HD13 ' A' ' 6' ' ' LEU . 4.7 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.636 0.255 . . . . 77.42 111.135 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -100.52 -172.49 2.21 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.627 0.727 . . . . 101.39 109.766 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -73.87 -29.9 62.34 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.164 -0.614 . . . . 104.46 112.038 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -68.76 -46.47 68.74 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.353 -0.539 . . . . 106.68 111.096 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.32 -41.87 76.72 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.696 -0.401 . . . . 83.43 111.006 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD13 ' HE1' ' A' ' 1' ' ' MET . 24.4 tp -65.95 -39.81 90.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.567 -0.453 . . . . 75.86 111.226 -179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.11 -45.03 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.106 0.479 . . . . 90.92 110.258 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.79 -39.25 90.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.092 -0.643 . . . . 107.18 111.364 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.16 -38.75 80.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.934 -0.706 . . . . 94.83 110.527 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 121.856 -0.527 . . . . 104.97 110.32 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 -36.85 84.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.352 -0.539 . . . . 126.94 111.368 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -75.09 -32.36 61.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.179 -0.608 . . . . 143.12 112.095 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.79 -56.46 3.69 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.536 -0.466 . . . . 122.12 111.63 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 2.09 4.22 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.503 0.927 . . . . 139.21 113.503 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 59.52 49.26 8.75 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.617 0.722 . . . . 172.52 110.768 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -126.76 162.77 25.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.5 0.667 . . . . 130.63 109.847 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -73.8 160.58 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.386 -0.824 . . . . 141.18 110.007 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -62.11 -36.14 80.85 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.473 -0.785 . . . . 132.27 111.335 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -70.95 -35.83 72.35 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.325 -0.55 . . . . 151.05 111.197 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.96 -42.08 90.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.934 -0.706 . . . . 161.64 111.384 177.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.04 96.91 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.346 -0.542 . . . . 128.79 111.067 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -53.27 -53.62 48.23 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.016 0.436 . . . . 140.91 111.174 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.35 -41.02 94.3 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.543 -0.298 . . . . 154.55 111.424 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.54 94.35 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.454 -0.498 . . . . 127.17 111.342 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.39 -43.21 70.52 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.116 -0.634 . . . . 117.75 111.343 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.87 -41.97 92.69 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.755 -0.778 . . . . 154.41 110.833 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.0 m -63.66 -41.02 98.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.108 -0.237 . . . . 166.2 111.402 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 m -61.93 -45.87 91.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 139.34 110.873 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.56 -41.02 89.26 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.835 -0.746 . . . . 146.65 111.095 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.37 86.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.236 -0.586 . . . . 175.66 111.2 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.54 70.51 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.128 -0.357 . . . . 179.39 111.323 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.95 -39.49 82.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 119.887 -0.725 . . . . 178.68 110.159 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -62.95 -48.01 80.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.934 -0.479 . . . . 198.07 111.065 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.63 -29.35 69.36 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.597 -0.441 . . . . 236.33 111.829 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 t -72.41 -43.25 64.15 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.981 -0.687 . . . . 222.11 111.137 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -73.01 -15.13 61.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.869 -0.789 . . . . 229.82 108.869 177.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -57.26 -29.8 64.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.658 0.614 . . . . 263.75 112.658 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.05 31.8 6.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.565 1.32 . . . . 260.74 114.565 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.58 -19.86 2.4 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 115.832 1.093 . . . . 245.3 115.832 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.05 121.82 17.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.697 1.248 . . . . 244.4 110.04 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.1 170.72 14.33 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.989 0.899 . . . . 183.66 110.485 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -126.83 118.82 51.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 107.764 -1.199 . . . . 160.31 107.764 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -108.99 111.03 22.47 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.39 -0.596 . . . . 147.16 109.39 -175.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.6 mt -108.98 95.3 5.55 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.484 -1.672 . . . . 105.03 106.484 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.46 140.03 19.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.44 0.638 . . . . 109.92 109.709 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.91 -3.01 85.48 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 119.058 -0.857 . . . . 82.74 114.965 -175.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -130.3 -60.91 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.403 1.102 . . . . 72.13 110.593 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.69 -161.63 31.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.903 -1.141 . . . . 101.12 111.911 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.4 m -149.08 127.55 12.29 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.572 -0.814 . . . . 136.46 109.324 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.52 113.61 25.78 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.457 -0.942 . . . . 153.71 108.457 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 53' ' ' ASN . 21.6 pttp -125.41 -173.33 2.8 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.965 0.412 . . . . 184.72 110.341 177.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 75' ' ' ASN . 1.9 p -140.04 122.22 16.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.636 -0.876 . . . . 212.03 108.636 -177.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 5.2 m-20 -91.04 109.4 20.65 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.151 -0.685 . . . . 226.88 109.151 -179.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.48 143.41 28.56 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.243 -0.651 . . . . 187.87 109.243 168.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -116.86 152.41 34.54 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.813 -0.44 . . . . 188.32 109.813 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.07 -52.12 5.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 117.79 -1.1 . . . . 189.14 111.12 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -151.72 128.71 11.03 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.032 -1.467 . . . . 193.06 114.318 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -58.71 -52.75 64.37 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 125.085 1.491 . . . . 196.42 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p 57.45 -141.78 0.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.23 0.956 . . . . 209.2 109.414 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.52 123.32 3.16 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.499 -1.723 . . . . 202.46 111.063 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.129 -1.415 . . . . 188.73 108.445 179.877 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.707 0.289 . . . . 172.8 111.16 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.36 132.37 21.02 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 108.794 -0.817 . . . . 193.08 108.794 -174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -66.83 148.56 82.63 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 CA-C-N 119.374 0.812 . . . . 189.72 111.474 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.91 163.0 40.16 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.837 -0.801 . . . . 138.64 108.837 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 79' ' ' PHE . 52.7 t80 -132.29 132.12 42.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.351 -0.84 . . . . 115.91 109.197 -176.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 t -109.47 113.91 45.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.164 -1.421 . . . . 112.49 107.164 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 p -67.65 146.82 53.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.697 0.76 . . . . 117.66 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.93 -179.83 49.96 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-O 122.341 0.967 . . . . 90.5 112.771 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.69 -49.69 61.44 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.786 -0.707 . . . . 116.68 111.46 -176.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.73 85.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.576 -0.449 . . . . 101.44 111.389 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.24 -53.22 56.42 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.948 0.404 . . . . 101.36 111.101 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.68 -31.41 71.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.612 -0.435 . . . . 119.16 111.719 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -73.84 -37.83 64.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.711 . . . . 130.55 111.336 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.25 -20.99 60.72 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.843 0.682 . . . . 111.04 112.843 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.45 -36.09 15.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 119.769 -0.772 . . . . 150.3 111.008 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.384 0.883 . . . . 158.18 113.384 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.5 ttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.673 0.273 . . . . 186.68 110.931 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -102.14 -178.64 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.942 0.877 . . . . 159.89 110.323 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.39 -35.21 79.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.475 -0.784 . . . . 162.62 112.018 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.2 m -71.03 -43.66 67.44 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.263 -0.575 . . . . 165.78 111.444 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -61.52 -36.89 81.82 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.369 -0.532 . . . . 179.63 110.974 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.04 -39.29 90.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.414 -0.515 . . . . 156.94 111.136 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.94 -38.61 82.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.653 -0.419 . . . . 148.4 110.272 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.14 -50.89 71.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.516 -0.474 . . . . 184.54 111.133 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.28 -38.33 79.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.648 -0.421 . . . . 165.64 110.665 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.185 0.517 . . . . 158.02 110.388 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.54 -25.44 67.3 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.333 0.494 . . . . 162.38 112.333 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -89.21 -31.18 18.04 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.689 0.996 . . . . 217.81 113.689 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -73.07 -47.06 47.89 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.678 0.672 . . . . 176.09 111.451 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.12 3.01 54.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.963 0.727 . . . . 153.37 112.963 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 56.08 48.31 17.88 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.776 0.798 . . . . 180.25 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -107.32 167.56 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 161.87 109.746 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -78.52 171.88 14.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.939 0.876 . . . . 148.44 110.441 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -63.82 -47.54 80.41 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.185 -0.916 . . . . 133.38 110.734 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.0 m -62.66 -42.93 99.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.93 -0.308 . . . . 143.74 111.281 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -60.44 -47.76 84.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.955 -0.298 . . . . 142.07 111.398 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.55 92.61 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.395 -0.522 . . . . 115.91 111.432 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.22 -49.39 77.8 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.101 -0.64 . . . . 123.43 110.918 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.58 85.98 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.658 -0.417 . . . . 115.94 111.271 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.68 94.77 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.719 -0.393 . . . . 94.66 111.325 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.85 -44.46 73.32 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 119.875 -0.73 . . . . 95.05 111.373 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.18 -38.64 89.86 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.96 -0.696 . . . . 125.42 110.962 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -67.52 -40.19 85.11 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.475 -0.49 . . . . 107.5 111.267 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -57.69 -51.55 69.07 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.915 0.388 . . . . 92.96 111.023 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.14 -42.99 96.59 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.081 -0.648 . . . . 79.87 111.506 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.39 87.5 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.534 -0.466 . . . . 91.37 111.501 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.8 81.66 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.44 -0.504 . . . . 96.66 111.061 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.6 mt -61.17 -41.67 90.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.196 -0.601 . . . . 82.17 110.509 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -66.33 -42.91 87.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.776 -0.77 . . . . 92.78 111.334 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.99 -40.47 93.6 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.39 -0.524 . . . . 169.62 111.301 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -65.04 -47.37 77.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.581 -0.447 . . . . 104.42 111.026 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.21 -23.5 66.45 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.22 0.452 . . . . 106.42 112.22 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -66.9 -28.38 68.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.748 -0.381 . . . . 143.23 111.454 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -96.61 12.62 31.07 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.603 0.594 . . . . 154.17 112.603 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . 0.531 ' HA2' HG11 ' B' ' 52' ' ' VAL . . . 77.12 -6.58 41.8 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 115.891 1.116 . . . . 119.37 115.891 176.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 1' ' ' MET . 19.0 t70 -84.21 135.46 34.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.938 1.369 . . . . 132.21 109.73 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.01 171.17 15.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.095 0.95 . . . . 93.59 110.885 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.61 104.45 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.875 -1.898 . . . . 100.04 105.875 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -98.22 115.66 28.81 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.481 -0.933 . . . . 131.59 108.481 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.5 mt -111.23 101.33 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.128 -1.805 . . . . 114.99 106.128 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.26 126.73 26.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.308 -0.627 . . . . 150.8 109.308 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.61 60.1 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 119.092 -0.838 . . . . 135.25 114.533 -172.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -135.69 -62.14 0.7 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.199 1.0 . . . . 124.49 110.754 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.65 -173.41 39.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.086 -1.054 . . . . 107.03 111.801 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.0 m -126.78 121.71 32.72 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.453 -0.874 . . . . 116.57 109.559 -173.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.45 127.97 35.52 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.776 -0.824 . . . . 82.18 108.776 169.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -145.18 179.36 7.42 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.684 0.754 . . . . 147.31 109.693 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.531 HG11 ' HA2' ' B' ' 39' ' ' GLY . 1.0 OUTLIER -131.14 128.38 61.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.491 -0.929 . . . . 125.19 108.491 -173.733 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -104.76 126.66 52.06 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.503 -0.554 . . . . 134.03 109.503 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 175.92 110.649 179.623 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 111.714 0.264 . . . . 149.93 111.714 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.82 141.17 40.27 Favored Pre-proline 0 C--O 1.241 0.622 0 N-CA-C 109.438 -0.578 . . . . 118.06 109.438 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.5 155.31 28.07 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 120.683 0.922 . . . . 110.35 111.548 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.4 167.63 29.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.894 -1.048 . . . . 99.67 108.958 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 57.7 t80 -138.72 142.71 38.9 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.91 -1.041 . . . . 88.19 109.369 -174.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.7 t -127.94 113.03 29.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.61 -1.256 . . . . 120.5 107.61 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' SER . . . . . 0.432 ' HB2' HD23 ' B' ' 85' ' ' LEU . 77.3 p -66.96 166.75 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.083 0.944 . . . . 142.73 110.858 -177.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.95 174.22 22.24 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.233 -0.894 . . . . 152.84 112.32 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -60.48 -52.28 65.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.936 -0.632 . . . . 197.35 111.099 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -14.1 24.34 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.959 0.726 . . . . 157.59 112.959 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' B' ' 81' ' ' SER . 41.3 tp -91.45 -44.46 9.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.464 0.575 . . . . 156.16 111.484 173.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.69 -38.48 85.14 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.531 -0.468 . . . . 169.67 111.22 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -66.3 -45.04 81.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.667 -0.413 . . . . 205.62 110.932 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.33 -20.39 65.59 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.421 -0.512 . . . . 167.97 112.126 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 75' ' ' ASN . 77.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 118.088 0.404 . . . . 202.77 110.344 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.518 -0.217 0 C3'-C2'-C1' 102.145 -0.396 . . . . 211.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DT' . . . . . 0.801 ' H3 ' ' H61' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.6 -0.59 0 O3'-P-O5' 103.008 -0.522 . . . . 217.09 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.621 H2'' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 P--O3' 1.6 -0.595 0 C3'-C2'-C1' 101.846 -0.61 . . . . 204.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.621 ' H72' H2'' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.533 1.504 0 O4'-C1'-N19 108.826 1.282 . . . . 193.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.827 2.534 . . . . 184.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DA' . . . . . 0.461 H2'' H5'' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.677 0 C3'-C2'-C1' 100.731 -1.406 . . . . 156.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.461 H5'' H2'' ' C' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.414 -1.608 0 C4'-C3'-C2' 101.316 -1.884 . . . . 164.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.41 ' C8 ' H2'' ' C' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.429 0 C3'-C2'-C1' 100.93 -1.264 . . . . 171.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.47 H2'' ' C6 ' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.408 -1.734 0 C3'-C2'-C1' 100.19 -1.793 . . . . 163.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DT' . . . . . 0.47 ' C6 ' H2'' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.408 -1.755 0 O4'-C1'-N19 109.44 2.05 . . . . 169.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C3'-C2'-C1' 100.711 -1.42 . . . . 143.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.411 -1.534 0 O4'-C1'-N19 108.611 1.014 . . . . 128.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.452 H2'' ' C6 ' ' D' ' 4' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.414 -1.304 0 O4'-C1'-N19 109.282 1.853 . . . . 136.41 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ' DC' . . . . . 0.529 H2'' ' C8 ' ' D' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 C3'-C2'-C1' 99.852 -2.034 . . . . 125.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.529 ' C8 ' H2'' ' D' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 P-O3'-C3' 120.769 0.891 . . . . 131.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.567 H2'' ' C8 ' ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 C3'-C2'-C1' 100.031 -1.907 . . . . 138.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.567 ' C8 ' H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.534 1.586 0 O4'-C1'-C2' 104.687 -1.284 . . . . 145.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.304 0 C3'-C2'-C1' 100.295 -1.718 . . . . 149.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.535 0 O4'-C4'-C3' 106.845 1.245 . . . . 177.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.801 ' H61' ' H3 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.45 0 O4'-C1'-C2' 107.651 1.41 . . . . 187.6 . . . . . . . . . . 1 1 . 1 stop_ save_