data_6qlc_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 6qlc _Structure_validation_residue.Date_analyzed 2019-10-25 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 ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.764 -0.087 . . . . 101.37 110.764 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.66 174.1 33.69 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 122.504 1.058 . . . . 101.82 112.845 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 173.9 6.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.584 -0.808 . . . . 96.18 110.781 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 p -157.25 163.75 38.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.341 -0.845 . . . . 85.06 109.242 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 151.43 20.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.523 -0.762 . . . . 73.06 110.169 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -131.02 145.03 51.9 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.68 0.792 . . . . 91.88 109.48 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tp -105.08 114.62 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.189 -1.041 . . . . 56.59 108.189 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . 0.552 ' OD1' ' OG ' ' A' ' 40' ' ' SER . 72.4 m-80 -107.3 133.53 51.71 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.931 0.492 . . . . 60.29 111.363 -174.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -106.02 111.14 23.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.571 -1.27 . . . . 57.27 107.571 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -104.1 151.25 23.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.158 0.504 . . . . 65.62 110.903 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -133.03 140.7 38.4 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.303 -0.862 . . . . 71.51 111.338 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.64 142.08 62.9 Favored 'Trans proline' 0 C--O 1.236 0.406 0 CA-C-O 121.427 0.511 . . . . 51.24 112.232 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.2 p -113.28 166.97 10.96 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.61 1.164 . . . . 46.5 111.057 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -68.09 -23.36 64.93 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.067 0.765 . . . . 74.34 113.067 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -76.32 8.5 3.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.735 0.642 . . . . 54.35 112.735 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.29 1.26 69.04 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-O 118.861 -0.966 . . . . 49.51 115.454 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -96.51 -143.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.208 1.504 . . . . 73.22 109.717 169.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -144.42 175.74 9.89 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.004 -0.739 . . . . 63.18 109.004 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -139.2 139.5 39.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.778 -0.823 . . . . 51.76 108.778 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -75.25 107.68 7.51 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.569 -0.9 . . . . 60.93 108.569 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.41 -53.84 14.86 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.609 -0.436 . . . . 61.25 111.282 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 m -146.29 151.7 14.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.042 -1.096 . . . . 67.28 108.042 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . 0.552 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 1.0 OUTLIER -123.84 139.96 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.37 -0.832 . . . . 60.57 109.285 175.962 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.3 tp -117.96 115.81 25.65 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.149 -0.685 . . . . 56.42 109.149 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.3 127.02 8.96 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 110.037 -1.225 . . . . 53.08 110.037 172.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -91.12 99.82 12.77 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 73.06 108.18 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -74.66 133.06 42.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.831 -0.622 . . . . 86.42 110.538 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.482 0.549 . . . . 77.31 112.482 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.95 0.81 46.41 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.12 0.785 . . . . 93.65 113.12 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -111.72 111.27 22.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.407 0.683 . . . . 77.94 109.159 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.59 -29.77 70.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.88 -0.6 . . . . 51.35 112.544 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.55 -51.11 66.81 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.705 -0.798 . . . . 71.86 110.46 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -57.77 -43.26 85.4 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.983 -0.287 . . . . 62.17 111.144 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.8 mmm -72.42 -35.77 68.43 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.199 -0.6 . . . . 83.19 111.31 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -58.65 -36.82 74.72 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.546 -0.861 . . . . 62.28 111.147 169.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.4 -49.65 46.82 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.083 -0.385 . . . . 56.82 110.392 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -52.5 -49.9 63.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.442 -0.344 . . . . 68.34 111.789 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 -43.18 96.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.572 -0.851 . . . . 94.4 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.76 -33.66 71.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.428 -0.351 . . . . 59.43 111.363 -177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.28 10.89 39.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.308 0.855 . . . . 66.38 113.308 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -134.15 -26.4 1.49 Allowed 'General case' 0 C--O 1.236 0.358 0 N-CA-C 114.159 1.17 . . . . 67.78 114.159 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.15 147.86 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.369 -0.974 . . . . 80.2 108.369 -164.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 201' ' ' HOH . 27.0 p-10 -104.11 31.02 4.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.796 1.036 . . . . 86.06 113.796 -166.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 p30 45.1 50.51 9.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.485 1.136 . . . . 89.18 110.729 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 201' ' ' HOH . 7.7 mtpt -153.92 12.19 0.43 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.102 -1.408 . . . . 103.55 108.471 163.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 201' ' ' HOH . . . 87.65 -33.34 3.96 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.327 -0.709 . . . . 79.45 111.327 -171.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -64.95 124.62 87.13 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 123.185 0.594 . . . . 93.03 111.025 -167.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -55.04 141.62 78.78 Favored 'Trans proline' 0 C--O 1.234 0.298 0 CA-C-N 119.347 0.802 . . . . 80.06 111.274 171.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.04 147.78 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.611 -0.722 . . . . 64.95 110.766 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p -68.2 150.86 47.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.276 -0.874 . . . . 62.46 109.222 161.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -51.56 -37.99 52.23 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.006 -0.678 . . . . 71.68 111.197 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -58.73 -52.4 65.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.789 0.328 . . . . 56.72 111.3 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.66 98.24 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.136 -0.626 . . . . 44.27 111.102 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.65 -53.41 57.99 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.825 -0.35 . . . . 62.25 110.861 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.78 84.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.468 -0.893 . . . . 49.1 111.196 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -59.68 -46.94 87.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.709 -0.396 . . . . 98.09 110.926 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -67.85 -41.17 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.345 -0.542 . . . . 68.71 111.351 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.8 -46.94 64.43 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.782 -0.767 . . . . 46.45 110.144 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.87 -44.6 96.49 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.446 -0.901 . . . . 83.9 110.477 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.23 -41.96 89.94 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.924 -0.31 . . . . 89.11 111.725 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.09 -62.68 1.46 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.427 -0.509 . . . . 52.22 111.164 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.12 -50.28 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 123.483 0.713 . . . . 49.58 110.768 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -57.41 -21.68 38.03 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.453 0.909 . . . . 58.76 113.453 -175.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -111.66 -2.15 15.47 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.35 0.871 . . . . 83.91 113.35 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.54 148.28 29.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.703 0.764 . . . . 56.85 110.726 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.47 123.78 66.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.014 -1.847 . . . . 61.9 106.014 170.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.25 130.3 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.739 -0.838 . . . . 64.65 108.739 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -130.04 138.18 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.632 -0.877 . . . . 78.18 108.632 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 tp -92.41 124.46 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.443 -0.576 . . . . 67.06 109.443 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.47 136.83 9.71 Favored Glycine 0 C--N 1.321 -0.264 0 C-N-CA 121.484 -0.389 . . . . 70.1 112.286 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.9 p -106.88 127.64 62.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.884 -0.784 . . . . 68.95 108.884 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.1 p -81.82 163.87 22.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.989 0.9 . . . . 74.88 110.251 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -75.26 144.64 42.44 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.097 -0.956 . . . . 64.33 110.437 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.8 p -69.92 160.9 30.99 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.786 0.803 . . . . 66.68 109.737 169.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.48 -37.0 72.21 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.043 -0.98 . . . . 86.79 110.565 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.81 -37.27 81.41 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.139 -0.624 . . . . 63.77 111.019 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -82.04 -35.18 29.06 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.655 -0.818 . . . . 73.99 111.287 -174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.1 -12.85 59.64 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.16 1.784 . . . . 72.65 112.783 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.24 145.51 51.02 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.768 0.794 . . . . 52.96 110.245 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.38 142.71 53.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.068 -0.969 . . . . 61.32 109.415 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -76.59 65.77 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.769 1.271 . . . . 67.58 108.909 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 CA--C 1.514 -0.438 0 CA-C-N 114.982 -1.008 . . . . 97.31 112.494 -168.062 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.655 ' O ' ' N ' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.764 -0.087 . . . . 101.37 110.764 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.66 174.1 33.69 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 122.504 1.058 . . . . 101.82 112.845 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 173.9 6.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.584 -0.808 . . . . 96.18 110.781 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 p -157.25 163.75 38.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.341 -0.845 . . . . 85.06 109.242 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 151.43 20.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.523 -0.762 . . . . 73.06 110.169 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -131.02 145.03 51.9 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.68 0.792 . . . . 91.88 109.48 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tp -105.08 114.62 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.189 -1.041 . . . . 56.59 108.189 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -107.3 133.53 51.71 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.931 0.492 . . . . 60.29 111.363 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -106.02 111.14 23.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.571 -1.27 . . . . 57.27 107.571 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -104.1 151.25 23.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.158 0.504 . . . . 65.62 110.903 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -133.03 140.7 38.4 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.303 -0.862 . . . . 71.51 111.338 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.64 142.08 62.9 Favored 'Trans proline' 0 C--O 1.236 0.406 0 CA-C-O 121.427 0.511 . . . . 53.87 112.232 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.2 p -113.28 166.97 10.96 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.61 1.164 . . . . 46.5 111.057 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -68.09 -23.36 64.93 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.067 0.765 . . . . 74.34 113.067 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -76.32 8.5 3.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.735 0.642 . . . . 54.35 112.735 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.29 1.26 69.04 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-O 118.861 -0.966 . . . . 49.51 115.454 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -96.51 -143.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.208 1.504 . . . . 73.22 109.717 169.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -144.42 175.74 9.89 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.004 -0.739 . . . . 63.18 109.004 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -139.2 139.5 39.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.778 -0.823 . . . . 51.76 108.778 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -75.25 107.68 7.51 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.569 -0.9 . . . . 61.35 108.569 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.41 -53.84 14.86 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.609 -0.436 . . . . 61.25 111.282 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 m -146.29 151.7 14.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.042 -1.096 . . . . 67.28 108.042 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.84 139.96 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.37 -0.832 . . . . 60.57 109.285 175.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.3 tp -117.96 115.81 25.65 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.149 -0.685 . . . . 56.42 109.149 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.3 127.02 8.96 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 110.037 -1.225 . . . . 53.08 110.037 172.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 50' ' ' HIS . 22.1 mt -91.12 99.82 12.77 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 73.06 108.18 -179.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -74.66 133.06 42.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.831 -0.622 . . . . 86.42 110.538 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' ' SD ' ' A' ' 51' ' ' MET . . . -62.73 -21.02 65.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.482 0.549 . . . . 77.31 112.482 -178.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.95 0.81 46.41 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.12 0.785 . . . . 93.65 113.12 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -111.72 111.27 22.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.407 0.683 . . . . 77.94 109.159 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.59 -29.77 70.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.88 -0.6 . . . . 51.35 112.544 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.55 -51.11 66.81 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.705 -0.798 . . . . 71.86 110.46 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 43' ' ' LEU . 40.6 m170 -57.77 -43.26 85.4 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.983 -0.287 . . . . 62.17 111.144 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 76.8 mmm -72.42 -35.77 68.43 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.199 -0.6 . . . . 83.19 111.31 -176.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -58.65 -36.82 74.72 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.546 -0.861 . . . . 62.28 111.147 169.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.4 -49.65 46.82 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.083 -0.385 . . . . 56.82 110.392 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -52.5 -49.9 63.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.442 -0.344 . . . . 68.34 111.789 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 -43.18 96.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.572 -0.851 . . . . 94.4 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.76 -33.66 71.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.428 -0.351 . . . . 59.43 111.363 -177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.28 10.89 39.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.308 0.855 . . . . 66.38 113.308 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -134.15 -26.4 1.49 Allowed 'General case' 0 C--O 1.236 0.358 0 N-CA-C 114.159 1.17 . . . . 67.78 114.159 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 201' ' ' HOH . 2.4 t -141.15 147.86 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.369 -0.974 . . . . 80.2 108.369 -164.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 201' ' ' HOH . 27.0 p-10 -104.11 31.02 4.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.796 1.036 . . . . 86.06 113.796 -166.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 p30 45.1 50.51 9.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.485 1.136 . . . . 89.18 110.729 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -153.92 12.19 0.43 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.102 -1.408 . . . . 103.55 108.471 163.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 201' ' ' HOH . . . 87.65 -33.34 3.96 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.327 -0.709 . . . . 79.45 111.327 -171.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 14.6 mttp -64.95 124.62 87.13 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 123.185 0.594 . . . . 93.03 111.025 -167.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -55.04 141.62 78.78 Favored 'Trans proline' 0 C--O 1.234 0.298 0 CA-C-N 119.347 0.802 . . . . 80.06 111.274 171.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 60' ' ' ASP . 34.1 mt -65.04 147.78 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.611 -0.722 . . . . 64.95 110.766 -178.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p -68.2 150.86 47.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.276 -0.874 . . . . 62.46 109.222 161.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -51.56 -37.99 52.23 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.006 -0.678 . . . . 71.68 111.197 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -58.73 -52.4 65.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.789 0.328 . . . . 56.72 111.3 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.66 98.24 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.136 -0.626 . . . . 44.27 111.102 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.65 -53.41 57.99 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.825 -0.35 . . . . 62.25 110.861 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.78 84.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.468 -0.893 . . . . 49.1 111.196 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -59.68 -46.94 87.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.709 -0.396 . . . . 98.09 110.926 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -67.85 -41.17 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.345 -0.542 . . . . 68.71 111.351 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.8 -46.94 64.43 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.782 -0.767 . . . . 46.45 110.144 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.87 -44.6 96.49 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.446 -0.901 . . . . 83.9 110.477 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.23 -41.96 89.94 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.924 -0.31 . . . . 89.11 111.725 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.09 -62.68 1.46 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.427 -0.509 . . . . 52.22 111.164 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.12 -50.28 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 123.483 0.713 . . . . 49.58 110.768 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -57.41 -21.68 38.03 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.453 0.909 . . . . 58.76 113.453 -175.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -111.66 -2.15 15.47 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.35 0.871 . . . . 83.91 113.35 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.54 148.28 29.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.703 0.764 . . . . 56.85 110.726 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.47 123.78 66.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.014 -1.847 . . . . 61.9 106.014 170.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.25 130.3 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.739 -0.838 . . . . 64.65 108.739 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -130.04 138.18 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.632 -0.877 . . . . 78.18 108.632 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 tp -92.41 124.46 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.443 -0.576 . . . . 67.06 109.443 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.47 136.83 9.71 Favored Glycine 0 C--N 1.321 -0.264 0 C-N-CA 121.484 -0.389 . . . . 70.1 112.286 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.9 p -106.88 127.64 62.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.884 -0.784 . . . . 68.95 108.884 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.1 p -81.82 163.87 22.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.989 0.9 . . . . 74.88 110.251 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -75.26 144.64 42.44 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.097 -0.956 . . . . 64.33 110.437 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.8 p -69.92 160.9 30.99 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.786 0.803 . . . . 66.68 109.737 169.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.48 -37.0 72.21 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.043 -0.98 . . . . 86.79 110.565 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.81 -37.27 81.41 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.139 -0.624 . . . . 63.77 111.019 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -82.04 -35.18 29.06 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.655 -0.818 . . . . 73.99 111.287 -174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.1 -12.85 59.64 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.16 1.784 . . . . 72.65 112.783 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.24 145.51 51.02 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.768 0.794 . . . . 52.96 110.245 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.38 142.71 53.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.068 -0.969 . . . . 61.32 109.415 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -76.59 65.77 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.769 1.271 . . . . 67.58 108.909 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 99' ' ' LEU . 14.3 mt . . . . . 0 CA--C 1.514 -0.438 0 CA-C-N 114.982 -1.008 . . . . 97.31 112.494 -168.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.54 ' O ' ' N ' ' A' ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.764 -0.087 . . . . 101.37 110.764 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.66 174.1 33.69 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 122.504 1.058 . . . . 101.82 112.845 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 173.9 6.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.584 -0.808 . . . . 96.18 110.781 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 p -157.25 163.75 38.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.341 -0.845 . . . . 85.06 109.242 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 151.43 20.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.523 -0.762 . . . . 73.06 110.169 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -131.02 145.03 51.9 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.68 0.792 . . . . 91.88 109.48 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tp -105.08 114.62 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.189 -1.041 . . . . 56.59 108.189 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -107.3 133.53 51.71 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.931 0.492 . . . . 60.29 111.363 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -106.02 111.14 23.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.571 -1.27 . . . . 57.27 107.571 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -104.1 151.25 23.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.158 0.504 . . . . 65.62 110.903 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -133.03 140.7 38.4 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.303 -0.862 . . . . 71.51 111.338 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.64 142.08 62.9 Favored 'Trans proline' 0 C--O 1.236 0.406 0 CA-C-O 121.427 0.511 . . . . 53.87 112.232 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.2 p -113.28 166.97 10.96 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.61 1.164 . . . . 46.5 111.057 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -68.09 -23.36 64.93 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.067 0.765 . . . . 74.34 113.067 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -76.32 8.5 3.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.735 0.642 . . . . 54.35 112.735 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.29 1.26 69.04 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-O 118.861 -0.966 . . . . 49.51 115.454 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -96.51 -143.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.208 1.504 . . . . 73.22 109.717 169.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -144.42 175.74 9.89 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.004 -0.739 . . . . 63.18 109.004 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -139.2 139.5 39.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.778 -0.823 . . . . 51.76 108.778 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -75.25 107.68 7.51 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.569 -0.9 . . . . 61.35 108.569 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.41 -53.84 14.86 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.609 -0.436 . . . . 61.25 111.282 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 m -146.29 151.7 14.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.042 -1.096 . . . . 67.28 108.042 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.84 139.96 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.37 -0.832 . . . . 60.57 109.285 175.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.3 tp -117.96 115.81 25.65 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.149 -0.685 . . . . 56.42 109.149 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.3 127.02 8.96 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 110.037 -1.225 . . . . 53.08 110.037 172.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 50' ' ' HIS . 22.1 mt -91.12 99.82 12.77 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 73.06 108.18 -179.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -74.66 133.06 42.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.831 -0.622 . . . . 86.42 110.538 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' ' SD ' ' A' ' 51' ' ' MET . . . -62.73 -21.02 65.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.482 0.549 . . . . 77.31 112.482 -178.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.95 0.81 46.41 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.12 0.785 . . . . 93.65 113.12 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -111.72 111.27 22.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.407 0.683 . . . . 77.94 109.159 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.59 -29.77 70.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.88 -0.6 . . . . 51.35 112.544 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.55 -51.11 66.81 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.705 -0.798 . . . . 71.86 110.46 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 43' ' ' LEU . 40.6 m170 -57.77 -43.26 85.4 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.983 -0.287 . . . . 62.17 111.144 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 76.8 mmm -72.42 -35.77 68.43 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.199 -0.6 . . . . 83.19 111.31 -176.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -58.65 -36.82 74.72 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.546 -0.861 . . . . 62.28 111.147 169.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.4 -49.65 46.82 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.083 -0.385 . . . . 56.82 110.392 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -52.5 -49.9 63.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.442 -0.344 . . . . 68.34 111.789 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 -43.18 96.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.572 -0.851 . . . . 94.4 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.76 -33.66 71.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.428 -0.351 . . . . 59.43 111.363 -177.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.28 10.89 39.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.308 0.855 . . . . 66.38 113.308 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -134.15 -26.4 1.49 Allowed 'General case' 0 C--O 1.236 0.358 0 N-CA-C 114.159 1.17 . . . . 67.78 114.159 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 201' ' ' HOH . 2.4 t -141.15 147.86 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 108.369 -0.974 . . . . 80.2 108.369 -164.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 201' ' ' HOH . 27.0 p-10 -104.11 31.02 4.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.796 1.036 . . . . 86.06 113.796 -166.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 p30 45.1 50.51 9.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.485 1.136 . . . . 89.18 110.729 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -153.92 12.19 0.43 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.102 -1.408 . . . . 103.55 108.471 163.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 201' ' ' HOH . . . 87.65 -33.34 3.96 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.327 -0.709 . . . . 79.45 111.327 -171.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 14.6 mttp -64.95 124.62 87.13 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 123.185 0.594 . . . . 93.03 111.025 -167.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -55.04 141.62 78.78 Favored 'Trans proline' 0 C--O 1.234 0.298 0 CA-C-N 119.347 0.802 . . . . 80.06 111.274 171.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 60' ' ' ASP . 34.1 mt -65.04 147.78 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.611 -0.722 . . . . 64.95 110.766 -178.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p -68.2 150.86 47.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.276 -0.874 . . . . 62.46 109.222 161.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -51.56 -37.99 52.23 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.006 -0.678 . . . . 71.68 111.197 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -58.73 -52.4 65.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.789 0.328 . . . . 56.72 111.3 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.66 98.24 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.136 -0.626 . . . . 44.27 111.102 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.65 -53.41 57.99 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.825 -0.35 . . . . 62.25 110.861 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.78 84.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.468 -0.893 . . . . 49.1 111.196 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -59.68 -46.94 87.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.709 -0.396 . . . . 98.09 110.926 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -67.85 -41.17 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.345 -0.542 . . . . 68.71 111.351 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.8 -46.94 64.43 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.782 -0.767 . . . . 46.45 110.144 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.87 -44.6 96.49 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.446 -0.901 . . . . 83.9 110.477 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.23 -41.96 89.94 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.924 -0.31 . . . . 89.11 111.725 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.09 -62.68 1.46 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.427 -0.509 . . . . 52.22 111.164 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.12 -50.28 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 123.483 0.713 . . . . 49.58 110.768 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -57.41 -21.68 38.03 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.453 0.909 . . . . 58.76 113.453 -175.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -111.66 -2.15 15.47 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.35 0.871 . . . . 83.91 113.35 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.54 148.28 29.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.703 0.764 . . . . 56.85 110.726 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.47 123.78 66.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.014 -1.847 . . . . 61.9 106.014 170.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.25 130.3 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.739 -0.838 . . . . 64.65 108.739 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -130.04 138.18 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.632 -0.877 . . . . 78.18 108.632 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 tp -92.41 124.46 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.443 -0.576 . . . . 67.06 109.443 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.47 136.83 9.71 Favored Glycine 0 C--N 1.321 -0.264 0 C-N-CA 121.484 -0.389 . . . . 70.1 112.286 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.9 p -106.88 127.64 62.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.884 -0.784 . . . . 68.95 108.884 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.1 p -81.82 163.87 22.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.989 0.9 . . . . 74.88 110.251 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -75.26 144.64 42.44 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.097 -0.956 . . . . 64.33 110.437 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.8 p -69.92 160.9 30.99 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.786 0.803 . . . . 66.68 109.737 169.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.48 -37.0 72.21 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.043 -0.98 . . . . 86.79 110.565 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.81 -37.27 81.41 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.139 -0.624 . . . . 63.77 111.019 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -82.04 -35.18 29.06 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.655 -0.818 . . . . 73.99 111.287 -174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.1 -12.85 59.64 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.16 1.784 . . . . 72.65 112.783 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.24 145.51 51.02 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.768 0.794 . . . . 52.96 110.245 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.38 142.71 53.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.068 -0.969 . . . . 61.32 109.415 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -76.59 65.77 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.769 1.271 . . . . 67.58 108.909 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 99' ' ' LEU . 14.3 mt . . . . . 0 CA--C 1.514 -0.438 0 CA-C-N 114.982 -1.008 . . . . 97.31 112.494 -168.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.54 ' O ' ' N ' ' A' ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_