data_6e5q_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 6e5q _Structure_validation_residue.Date_analyzed 2019-10-11 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' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.235 0.339 0 N-CA-C 113.379 0.881 . . . . 43.87 113.379 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.55 0.39 52.62 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.815 -1.084 . . . . 35.11 112.624 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -86.78 104.78 16.48 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.094 -1.076 . . . . 34.88 108.094 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.42 13.51 34.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 112.451 0.537 . . . . 28.94 112.451 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -57.84 145.4 35.34 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.747 0.784 . . . . 32.71 112.139 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.85 179.72 16.91 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.246 -0.888 . . . . 32.37 112.902 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -107.21 127.21 53.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.599 -1.26 . . . . 50.23 107.599 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -118.75 126.15 51.24 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.175 -1.046 . . . . 32.61 108.175 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -105.17 123.71 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.288 -1.004 . . . . 53.32 108.288 -176.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 ttm -62.26 129.23 39.78 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.478 0.486 . . . . 30.47 110.44 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -115.6 -14.18 11.48 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.86 -0.736 . . . . 52.74 112.553 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -148.88 146.59 27.99 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 109.348 -0.612 . . . . 33.57 109.348 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -157.36 95.36 1.46 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.661 -1.607 . . . . 26.65 106.661 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.23 134.14 45.97 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 122.768 0.427 . . . . 40.22 111.082 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.8 t30 59.49 29.6 19.17 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.92 0.888 . . . . 28.22 112.476 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.68 -35.15 68.11 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.759 -0.776 . . . . 27.08 110.566 167.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.31 -48.8 79.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.73 -0.388 . . . . 39.91 111.536 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.13 61.39 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.711 -1.233 . . . . 25.95 113.087 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.06 -49.1 79.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.247 -0.56 . . . . 26.65 110.65 171.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.2 mtm -62.23 -39.92 94.4 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.18 -0.608 . . . . 31.14 111.391 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -66.12 -37.57 86.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.441 -0.504 . . . . 46.43 111.476 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.44 69.43 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.976 -0.69 . . . . 31.19 111.44 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -85.69 1.98 47.18 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.693 1.197 . . . . 29.6 112.978 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 67.29 27.04 8.41 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.447 0.699 . . . . 36.9 112.229 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.4 mm -66.07 132.99 31.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 121.091 0.472 . . . . 37.88 109.94 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.78 132.53 17.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.614 -0.721 . . . . 48.67 111.312 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -64.02 -20.09 65.66 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.795 0.665 . . . . 61.43 112.795 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -75.01 -35.56 61.98 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.754 -1.178 . . . . 56.51 110.804 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.4 m -68.49 -41.06 80.62 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.889 -0.724 . . . . 44.86 110.625 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -62.69 -37.24 85.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.371 -0.932 . . . . 37.25 111.37 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -64.44 -29.92 70.97 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.396 -0.922 . . . . 60.33 111.504 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.1 -44.55 18.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.868 -0.333 . . . . 46.1 110.664 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.77 77.96 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.428 0.529 . . . . 34.58 112.428 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.8 -12.2 13.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.449 -0.9 . . . . 35.27 112.67 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -88.44 -11.69 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.813 0.671 . . . . 59.13 112.813 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mt -87.5 152.71 22.0 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.665 -0.814 . . . . 42.11 111.343 -167.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 m -110.39 158.24 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.838 -1.171 . . . . 49.22 107.838 167.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.67 143.85 49.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.722 -0.672 . . . . 54.04 109.548 -171.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -121.66 129.49 52.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.923 -1.51 . . . . 42.2 106.923 166.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -118.93 121.23 39.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.409 -1.33 . . . . 39.79 107.409 -174.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.9 114.34 46.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.277 -1.379 . . . . 35.3 107.277 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.9 mt -108.19 120.5 59.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.62 -0.881 . . . . 29.9 108.62 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.48 119.74 39.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.734 -1.21 . . . . 60.56 107.734 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -128.09 127.46 43.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.923 -0.399 . . . . 32.85 109.923 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -125.67 98.86 5.74 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 107.008 -1.479 . . . . 58.92 107.008 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 -120.35 20.97 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.589 -1.005 . . . . 36.5 110.589 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -96.0 9.49 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.83 -0.806 . . . . 36.03 112.505 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -96.77 122.43 39.71 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 44.13 108.843 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.21 139.69 51.44 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.096 0.558 . . . . 30.9 111.667 -175.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -129.59 116.44 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.819 -1.548 . . . . 63.32 106.819 166.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -113.49 113.31 24.97 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.004 -1.11 . . . . 40.8 108.004 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.12 111.32 22.13 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.203 -0.666 . . . . 59.6 109.203 -177.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -110.7 137.5 48.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.991 -0.55 . . . . 40.55 109.977 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.0 p -128.09 135.52 49.93 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.006 -0.739 . . . . 47.03 109.006 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -102.83 142.54 33.79 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 122.585 0.354 . . . . 48.58 110.298 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m -137.55 144.85 42.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.254 0.55 . . . . 41.33 110.538 -167.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -127.93 136.2 51.01 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.825 -0.625 . . . . 64.78 109.788 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -40.27 -66.32 0.32 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 128.831 2.852 . . . . 77.35 115.845 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 55.87 131.93 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.088 1.355 . . . . 57.91 112.851 -165.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.08 142.14 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.898 0.856 . . . . 57.06 110.905 -175.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.24 148.63 31.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.047 -0.979 . . . . 52.97 109.287 170.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.63 117.47 46.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 107.725 -1.213 . . . . 43.14 107.725 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.73 137.41 51.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.518 -0.919 . . . . 48.11 108.518 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.03 168.46 26.38 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.819 0.819 . . . . 30.59 109.647 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 m -123.42 130.41 52.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.671 -1.603 . . . . 32.13 106.671 173.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.16 136.16 20.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 119.139 -1.024 . . . . 30.18 109.299 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.06 -10.74 67.32 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.506 0.962 . . . . 30.3 115.506 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.55 112.4 40.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.2 -1.407 . . . . 31.34 107.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -63.53 139.35 58.76 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.951 0.405 . . . . 43.17 111.069 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -138.57 155.77 48.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.32 -0.622 . . . . 31.98 109.32 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' OD1' ' NZ ' ' A' ' 83' ' ' LYS . 36.0 m-20 -83.26 134.43 34.94 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.34 -0.845 . . . . 33.06 109.502 174.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -131.13 132.04 44.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.983 -1.117 . . . . 37.04 107.983 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -109.37 117.31 33.7 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.993 -1.484 . . . . 31.79 106.993 172.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.2 p -83.63 48.85 1.49 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.865 0.728 . . . . 32.78 110.132 -168.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -52.27 151.5 3.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.239 -1.023 . . . . 64.88 108.239 166.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p 73.59 -3.22 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.472 0.709 . . . . 47.68 112.526 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.53 -110.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.139 -1.059 . . . . 37.07 108.139 169.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 13.0 p-10 -95.43 0.23 53.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.727 1.01 . . . . 33.66 113.727 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.5 t30 56.47 43.07 26.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.408 0.623 . . . . 48.27 110.954 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -107.23 162.31 14.0 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.865 0.84 . . . . 39.61 110.228 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -95.87 125.75 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.392 -1.276 . . . . 32.27 108.188 176.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.24 158.36 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 108.191 -1.04 . . . . 27.26 108.191 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.6 mttm -104.46 107.98 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.421 -1.325 . . . . 36.08 107.421 172.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.66 135.38 39.54 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.625 -0.261 . . . . 30.14 110.823 -170.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 tp -129.17 119.77 24.65 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.265 -1.013 . . . . 35.8 108.265 173.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 t -106.13 132.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.806 -1.183 . . . . 28.81 107.806 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.2 p -139.35 158.5 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.576 -0.898 . . . . 31.3 108.576 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -86.73 138.36 31.69 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.134 -0.484 . . . . 30.2 110.531 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -122.79 98.72 6.04 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.782 -2.303 . . . . 43.66 104.782 162.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.04 -124.3 36.27 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.002 -1.239 . . . . 29.54 110.002 -168.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -93.36 8.14 41.63 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.7 0.63 . . . . 45.22 112.7 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -98.79 125.87 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 108.72 -0.844 . . . . 24.07 108.72 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 tp -84.81 121.57 27.9 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.66 -0.867 . . . . 27.84 108.66 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.52 127.88 72.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.657 -0.868 . . . . 26.46 108.657 -173.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.0 129.75 52.73 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.985 -0.286 . . . . 27.03 110.552 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.32 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.547 -1.279 . . . . 28.83 107.547 167.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -105.57 91.66 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.038 -1.467 . . . . 27.43 107.038 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -73.3 127.34 32.39 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.051 -0.522 . . . . 44.83 110.303 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.18 -150.22 8.82 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 31.73 112.148 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -63.42 -41.49 98.71 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.011 -0.676 . . . . 44.61 111.622 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -79.62 131.8 36.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.945 -0.472 . . . . 36.21 110.728 -172.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 147.9 34.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.747 -0.661 . . . . 54.48 110.666 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.5 t30 52.19 46.42 26.66 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.898 0.856 . . . . 39.45 110.127 174.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -104.97 122.94 46.9 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.043 -0.725 . . . . 29.23 109.043 -177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.18 -157.26 20.38 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.318 -1.113 . . . . 25.39 110.318 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -162.41 161.07 27.13 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.31 0.576 . . . . 25.56 109.742 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -131.72 141.2 49.47 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.853 1.261 . . . . 48.16 108.782 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -142.18 126.64 17.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.603 -1.258 . . . . 37.94 107.603 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -158.55 157.53 32.21 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.481 -0.887 . . . . 30.01 110.167 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.5 mm -97.56 138.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 114.924 -1.035 . . . . 38.53 109.114 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.26 111.7 7.26 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.801 -1.555 . . . . 51.5 106.801 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.53 -129.64 19.8 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 111.062 -0.815 . . . . 40.37 111.062 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -98.46 24.03 7.83 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.353 -0.498 . . . . 52.32 111.838 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.03 138.36 54.46 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.091 -0.381 . . . . 48.49 110.105 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 tp -106.71 124.4 49.56 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.706 -1.22 . . . . 34.46 107.706 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -103.28 137.82 40.9 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.337 0.655 . . . . 32.86 109.869 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.9 tp -137.19 120.85 17.31 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.82 -1.178 . . . . 27.58 107.82 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . 0.414 ' OE1' ' NH1' ' A' ' 127' ' ' ARG . 41.1 mt-10 -115.73 119.4 35.94 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.164 -1.05 . . . . 46.28 108.164 176.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.14 136.38 44.75 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.58 0.752 . . . . 27.88 109.884 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.5 p -125.53 140.73 52.51 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.94 0.4 . . . . 30.2 110.206 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.0 t -150.9 121.8 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.098 -1.445 . . . . 29.0 107.098 167.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.04 -127.24 40.26 Favored Glycine 0 C--O 1.237 0.325 0 N-CA-C 110.635 -0.986 . . . . 33.25 110.635 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.78 10.12 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.061 -0.67 . . . . 47.47 112.232 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -101.34 137.28 39.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.008 0.367 . . . . 32.74 110.646 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -124.97 128.18 72.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.108 -1.071 . . . . 33.22 108.108 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -111.52 127.29 55.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.36 -0.978 . . . . 28.61 108.36 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . 0.414 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 36.7 mtt-85 -112.86 121.2 43.98 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.03 -0.73 . . . . 50.2 109.03 -176.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -118.67 143.69 46.68 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.966 -0.753 . . . . 27.55 108.966 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.05 131.82 70.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.518 -1.29 . . . . 31.37 107.518 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.81 146.95 44.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.703 -0.851 . . . . 29.89 108.703 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -108.18 140.75 40.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.042 -0.526 . . . . 56.21 109.637 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -71.77 126.81 30.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.001 -0.679 . . . . 34.85 109.571 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 52.06 112.143 170.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.235 0.339 0 N-CA-C 113.379 0.881 . . . . 43.87 113.379 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.55 0.39 52.62 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.815 -1.084 . . . . 35.11 112.624 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -86.78 104.78 16.48 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.094 -1.076 . . . . 34.88 108.094 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.42 13.51 34.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 112.451 0.537 . . . . 28.94 112.451 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -57.84 145.4 35.34 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.747 0.784 . . . . 32.71 112.139 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.85 179.72 16.91 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.246 -0.888 . . . . 32.37 112.902 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -107.21 127.21 53.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.599 -1.26 . . . . 50.23 107.599 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -118.75 126.15 51.24 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.175 -1.046 . . . . 32.61 108.175 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -105.17 123.71 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.288 -1.004 . . . . 53.32 108.288 -176.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 ttm -62.26 129.23 39.78 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.478 0.486 . . . . 30.47 110.44 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -115.6 -14.18 11.48 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.86 -0.736 . . . . 52.74 112.553 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -148.88 146.59 27.99 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 109.348 -0.612 . . . . 33.57 109.348 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -157.36 95.36 1.46 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.661 -1.607 . . . . 26.65 106.661 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.23 134.14 45.97 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 122.768 0.427 . . . . 40.22 111.082 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.8 t30 59.49 29.6 19.17 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.92 0.888 . . . . 28.22 112.476 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.68 -35.15 68.11 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.759 -0.776 . . . . 27.08 110.566 167.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.31 -48.8 79.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.73 -0.388 . . . . 39.91 111.536 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.13 61.39 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.711 -1.233 . . . . 25.95 113.087 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.06 -49.1 79.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.247 -0.56 . . . . 26.65 110.65 171.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.2 mtm -62.23 -39.92 94.4 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.18 -0.608 . . . . 31.14 111.391 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -66.12 -37.57 86.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.441 -0.504 . . . . 46.43 111.476 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.44 69.43 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.976 -0.69 . . . . 31.19 111.44 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -85.69 1.98 47.18 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.693 1.197 . . . . 29.6 112.978 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 67.29 27.04 8.41 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.447 0.699 . . . . 36.9 112.229 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.4 mm -66.07 132.99 31.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 121.091 0.472 . . . . 37.88 109.94 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.78 132.53 17.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.614 -0.721 . . . . 48.67 111.312 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -64.02 -20.09 65.66 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.795 0.665 . . . . 61.43 112.795 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -75.01 -35.56 61.98 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.754 -1.178 . . . . 56.51 110.804 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.4 m -68.49 -41.06 80.62 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.889 -0.724 . . . . 44.86 110.625 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -62.69 -37.24 85.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.371 -0.932 . . . . 37.25 111.37 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -64.44 -29.92 70.97 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.396 -0.922 . . . . 60.33 111.504 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.1 -44.55 18.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.868 -0.333 . . . . 46.1 110.664 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.77 77.96 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.428 0.529 . . . . 34.58 112.428 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.8 -12.2 13.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.449 -0.9 . . . . 35.27 112.67 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -88.44 -11.69 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.813 0.671 . . . . 59.13 112.813 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 57' ' ' PHE . 4.1 mt -87.5 152.71 22.0 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.665 -0.814 . . . . 42.11 111.343 -167.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 m -110.39 158.24 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.838 -1.171 . . . . 49.22 107.838 167.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' HG2' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -122.67 143.85 49.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.722 -0.672 . . . . 54.04 109.548 -171.68 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -121.66 129.49 52.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.923 -1.51 . . . . 42.2 106.923 166.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -118.93 121.23 39.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.409 -1.33 . . . . 39.79 107.409 -174.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.9 114.34 46.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.277 -1.379 . . . . 35.3 107.277 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.9 mt -108.19 120.5 59.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.62 -0.881 . . . . 29.9 108.62 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.48 119.74 39.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.734 -1.21 . . . . 60.56 107.734 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -128.09 127.46 43.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.923 -0.399 . . . . 32.85 109.923 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -125.67 98.86 5.74 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 107.008 -1.479 . . . . 58.92 107.008 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 -120.35 20.97 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.589 -1.005 . . . . 36.5 110.589 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -96.0 9.49 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.83 -0.806 . . . . 36.03 112.505 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -96.77 122.43 39.71 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 44.13 108.843 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.21 139.69 51.44 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.096 0.558 . . . . 30.9 111.667 -175.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -129.59 116.44 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.819 -1.548 . . . . 63.32 106.819 166.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -113.49 113.31 24.97 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.004 -1.11 . . . . 40.8 108.004 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.12 111.32 22.13 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.203 -0.666 . . . . 59.6 109.203 -177.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . 0.414 HG23 ' HG2' ' A' ' 38' ' ' GLN . 43.9 m -110.7 137.5 48.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.991 -0.55 . . . . 40.55 109.977 -173.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.0 p -128.09 135.52 49.93 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.006 -0.739 . . . . 47.03 109.006 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -102.83 142.54 33.79 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 122.585 0.354 . . . . 48.58 110.298 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m -137.55 144.85 42.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.254 0.55 . . . . 41.33 110.538 -167.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.7 t80 -127.93 136.2 51.01 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.825 -0.625 . . . . 64.78 109.788 -177.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HD3' ' HD2' ' A' ' 60' ' ' TYR . 4.4 tmm_? -40.27 -66.32 0.32 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 128.831 2.852 . . . . 77.35 115.845 179.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 55.87 131.93 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.088 1.355 . . . . 57.91 112.851 -165.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' HD2' ' HD3' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -72.08 142.14 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.898 0.856 . . . . 57.06 110.905 -175.732 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.24 148.63 31.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.047 -0.979 . . . . 52.97 109.287 170.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.63 117.47 46.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 107.725 -1.213 . . . . 43.14 107.725 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.73 137.41 51.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.518 -0.919 . . . . 48.11 108.518 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.03 168.46 26.38 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.819 0.819 . . . . 30.59 109.647 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 m -123.42 130.41 52.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.671 -1.603 . . . . 32.13 106.671 173.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.16 136.16 20.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 119.139 -1.024 . . . . 30.18 109.299 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.06 -10.74 67.32 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.506 0.962 . . . . 30.3 115.506 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.55 112.4 40.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.2 -1.407 . . . . 31.34 107.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -63.53 139.35 58.76 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.951 0.405 . . . . 43.17 111.069 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -138.57 155.77 48.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.32 -0.622 . . . . 31.98 109.32 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -83.26 134.43 34.94 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.34 -0.845 . . . . 33.06 109.502 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -131.13 132.04 44.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.983 -1.117 . . . . 37.04 107.983 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 84.9 m-85 -109.37 117.31 33.7 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.993 -1.484 . . . . 31.79 106.993 172.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.2 p -83.63 48.85 1.49 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.865 0.728 . . . . 32.78 110.132 -168.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -52.27 151.5 3.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.239 -1.023 . . . . 64.88 108.239 166.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p 73.59 -3.22 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.472 0.709 . . . . 47.68 112.526 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 2.0 tp -128.53 -110.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.139 -1.059 . . . . 37.07 108.139 169.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 77' ' ' LEU . 13.0 p-10 -95.43 0.23 53.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.727 1.01 . . . . 33.66 113.727 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.5 t30 56.47 43.07 26.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.408 0.623 . . . . 48.27 110.954 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -107.23 162.31 14.0 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.865 0.84 . . . . 39.61 110.228 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.6 t-80 -95.87 125.75 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.392 -1.276 . . . . 32.27 108.188 176.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.24 158.36 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 108.191 -1.04 . . . . 27.26 108.191 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -104.46 107.98 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.421 -1.325 . . . . 36.08 107.421 172.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.66 135.38 39.54 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.625 -0.261 . . . . 30.14 110.823 -170.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 tp -129.17 119.77 24.65 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.265 -1.013 . . . . 35.8 108.265 173.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 t -106.13 132.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.806 -1.183 . . . . 28.81 107.806 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.2 p -139.35 158.5 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.576 -0.898 . . . . 31.3 108.576 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -86.73 138.36 31.69 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.134 -0.484 . . . . 30.2 110.531 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -122.79 98.72 6.04 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.782 -2.303 . . . . 43.66 104.782 162.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.04 -124.3 36.27 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.002 -1.239 . . . . 29.54 110.002 -168.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -93.36 8.14 41.63 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.7 0.63 . . . . 45.22 112.7 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -98.79 125.87 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 108.72 -0.844 . . . . 24.07 108.72 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 tp -84.81 121.57 27.9 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.66 -0.867 . . . . 27.84 108.66 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.52 127.88 72.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.657 -0.868 . . . . 26.46 108.657 -173.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.0 129.75 52.73 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.985 -0.286 . . . . 27.03 110.552 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.32 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.547 -1.279 . . . . 28.83 107.547 167.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 104' ' ' ARG . 78.0 mt-30 -105.57 91.66 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.038 -1.467 . . . . 27.43 107.038 178.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 98' ' ' LYS . 7.9 mtmm -73.3 127.34 32.39 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.051 -0.522 . . . . 44.83 110.303 -178.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.18 -150.22 8.82 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 31.73 112.148 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -63.42 -41.49 98.71 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.011 -0.676 . . . . 44.61 111.622 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -79.62 131.8 36.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.945 -0.472 . . . . 36.21 110.728 -172.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 147.9 34.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.747 -0.661 . . . . 54.48 110.666 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.5 t30 52.19 46.42 26.66 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.898 0.856 . . . . 39.45 110.127 174.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 97' ' ' GLN . 32.8 ttt180 -104.97 122.94 46.9 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.043 -0.725 . . . . 29.23 109.043 -177.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.18 -157.26 20.38 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.318 -1.113 . . . . 25.39 110.318 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -162.41 161.07 27.13 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.31 0.576 . . . . 25.56 109.742 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -131.72 141.2 49.47 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.853 1.261 . . . . 48.16 108.782 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -142.18 126.64 17.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.603 -1.258 . . . . 37.94 107.603 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -158.55 157.53 32.21 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.481 -0.887 . . . . 30.01 110.167 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.5 mm -97.56 138.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 114.924 -1.035 . . . . 38.53 109.114 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.26 111.7 7.26 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.801 -1.555 . . . . 51.5 106.801 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.53 -129.64 19.8 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 111.062 -0.815 . . . . 40.37 111.062 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -98.46 24.03 7.83 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.353 -0.498 . . . . 52.32 111.838 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.03 138.36 54.46 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.091 -0.381 . . . . 48.49 110.105 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 tp -106.71 124.4 49.56 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.706 -1.22 . . . . 34.46 107.706 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -103.28 137.82 40.9 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.337 0.655 . . . . 32.86 109.869 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.9 tp -137.19 120.85 17.31 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.82 -1.178 . . . . 27.58 107.82 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . 0.414 ' OE1' ' NH1' ' A' ' 127' ' ' ARG . 41.1 mt-10 -115.73 119.4 35.94 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.164 -1.05 . . . . 46.28 108.164 176.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.14 136.38 44.75 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.58 0.752 . . . . 27.88 109.884 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.5 p -125.53 140.73 52.51 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.94 0.4 . . . . 30.2 110.206 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.0 t -150.9 121.8 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.098 -1.445 . . . . 29.0 107.098 167.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.04 -127.24 40.26 Favored Glycine 0 C--O 1.237 0.325 0 N-CA-C 110.635 -0.986 . . . . 33.25 110.635 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.78 10.12 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.061 -0.67 . . . . 47.47 112.232 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -101.34 137.28 39.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.008 0.367 . . . . 32.74 110.646 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -124.97 128.18 72.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.108 -1.071 . . . . 33.22 108.108 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -111.52 127.29 55.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.36 -0.978 . . . . 28.61 108.36 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . 0.414 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 36.7 mtt-85 -112.86 121.2 43.98 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.03 -0.73 . . . . 50.2 109.03 -176.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -118.67 143.69 46.68 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.966 -0.753 . . . . 27.55 108.966 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.05 131.82 70.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.518 -1.29 . . . . 31.37 107.518 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.81 146.95 44.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.703 -0.851 . . . . 29.89 108.703 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -108.18 140.75 40.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.042 -0.526 . . . . 56.21 109.637 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -71.77 126.81 30.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.001 -0.679 . . . . 34.85 109.571 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 52.06 112.143 170.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.235 0.339 0 N-CA-C 113.379 0.881 . . . . 43.87 113.379 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.55 0.39 52.62 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.815 -1.084 . . . . 35.11 112.624 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -86.78 104.78 16.48 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.094 -1.076 . . . . 34.88 108.094 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.42 13.51 34.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 112.451 0.537 . . . . 28.94 112.451 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -57.84 145.4 35.34 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.747 0.784 . . . . 32.71 112.139 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.85 179.72 16.91 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.246 -0.888 . . . . 32.37 112.902 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -107.21 127.21 53.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.599 -1.26 . . . . 50.23 107.599 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -118.75 126.15 51.24 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.175 -1.046 . . . . 32.61 108.175 -169.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -105.17 123.71 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.288 -1.004 . . . . 53.32 108.288 -176.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 ttm -62.26 129.23 39.78 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.478 0.486 . . . . 30.47 110.44 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -115.6 -14.18 11.48 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.86 -0.736 . . . . 52.74 112.553 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -148.88 146.59 27.99 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 109.348 -0.612 . . . . 33.57 109.348 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -157.36 95.36 1.46 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.661 -1.607 . . . . 26.65 106.661 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.23 134.14 45.97 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 122.768 0.427 . . . . 40.22 111.082 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.8 t30 59.49 29.6 19.17 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.92 0.888 . . . . 28.22 112.476 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.68 -35.15 68.11 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.759 -0.776 . . . . 27.08 110.566 167.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.31 -48.8 79.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.73 -0.388 . . . . 39.91 111.536 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.13 61.39 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.711 -1.233 . . . . 25.95 113.087 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.06 -49.1 79.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.247 -0.56 . . . . 26.65 110.65 171.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.2 mtm -62.23 -39.92 94.4 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.18 -0.608 . . . . 31.14 111.391 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -66.12 -37.57 86.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.441 -0.504 . . . . 46.43 111.476 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.44 69.43 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.976 -0.69 . . . . 31.19 111.44 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -85.69 1.98 47.18 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.693 1.197 . . . . 29.6 112.978 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 67.29 27.04 8.41 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.447 0.699 . . . . 36.9 112.229 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.4 mm -66.07 132.99 31.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 121.091 0.472 . . . . 37.88 109.94 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.78 132.53 17.98 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.614 -0.721 . . . . 48.67 111.312 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -64.02 -20.09 65.66 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.795 0.665 . . . . 61.43 112.795 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -75.01 -35.56 61.98 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.754 -1.178 . . . . 56.51 110.804 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.4 m -68.49 -41.06 80.62 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.889 -0.724 . . . . 44.86 110.625 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -62.69 -37.24 85.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.371 -0.932 . . . . 37.25 111.37 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -64.44 -29.92 70.97 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.396 -0.922 . . . . 60.33 111.504 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.1 -44.55 18.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.868 -0.333 . . . . 46.1 110.664 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.77 77.96 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.428 0.529 . . . . 34.58 112.428 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.8 -12.2 13.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.449 -0.9 . . . . 35.27 112.67 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -88.44 -11.69 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.813 0.671 . . . . 59.13 112.813 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 57' ' ' PHE . 4.1 mt -87.5 152.71 22.0 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.665 -0.814 . . . . 42.11 111.343 -167.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 m -110.39 158.24 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.838 -1.171 . . . . 49.22 107.838 167.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' HG2' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -122.67 143.85 49.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.722 -0.672 . . . . 54.04 109.548 -171.68 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -121.66 129.49 52.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.923 -1.51 . . . . 42.2 106.923 166.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -118.93 121.23 39.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.409 -1.33 . . . . 39.79 107.409 -174.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.9 114.34 46.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.277 -1.379 . . . . 35.3 107.277 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.9 mt -108.19 120.5 59.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.62 -0.881 . . . . 29.9 108.62 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.48 119.74 39.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.734 -1.21 . . . . 60.56 107.734 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -128.09 127.46 43.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.923 -0.399 . . . . 32.85 109.923 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -125.67 98.86 5.74 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 107.008 -1.479 . . . . 58.92 107.008 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 -120.35 20.97 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.589 -1.005 . . . . 36.5 110.589 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -96.0 9.49 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.83 -0.806 . . . . 36.03 112.505 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -96.77 122.43 39.71 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 44.13 108.843 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.21 139.69 51.44 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.096 0.558 . . . . 30.9 111.667 -175.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -129.59 116.44 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.819 -1.548 . . . . 63.32 106.819 166.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -113.49 113.31 24.97 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.004 -1.11 . . . . 40.8 108.004 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.12 111.32 22.13 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.203 -0.666 . . . . 59.6 109.203 -177.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 HG23 ' HG2' ' A' ' 38' ' ' GLN . 43.9 m -110.7 137.5 48.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.991 -0.55 . . . . 40.55 109.977 -173.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.0 p -128.09 135.52 49.93 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.006 -0.739 . . . . 47.03 109.006 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -102.83 142.54 33.79 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 122.585 0.354 . . . . 48.58 110.298 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m -137.55 144.85 42.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.254 0.55 . . . . 41.33 110.538 -167.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' HB2' HD22 ' A' ' 36' ' ' LEU . 1.7 t80 -127.93 136.2 51.01 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.825 -0.625 . . . . 64.78 109.788 -177.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HD3' ' HD2' ' A' ' 60' ' ' TYR . 4.4 tmm_? -40.27 -66.32 0.32 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 128.831 2.852 . . . . 77.35 115.845 179.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 55.87 131.93 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.088 1.355 . . . . 57.91 112.851 -165.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' HD2' ' HD3' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -72.08 142.14 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.898 0.856 . . . . 57.06 110.905 -175.732 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.24 148.63 31.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.047 -0.979 . . . . 52.97 109.287 170.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.63 117.47 46.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 107.725 -1.213 . . . . 43.14 107.725 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.73 137.41 51.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.518 -0.919 . . . . 48.11 108.518 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.03 168.46 26.38 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.819 0.819 . . . . 30.59 109.647 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 m -123.42 130.41 52.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.671 -1.603 . . . . 32.13 106.671 173.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.16 136.16 20.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 119.139 -1.024 . . . . 30.18 109.299 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.06 -10.74 67.32 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.506 0.962 . . . . 30.3 115.506 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.55 112.4 40.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.2 -1.407 . . . . 31.34 107.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -63.53 139.35 58.76 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.951 0.405 . . . . 43.17 111.069 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -138.57 155.77 48.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.32 -0.622 . . . . 31.98 109.32 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -83.26 134.43 34.94 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.34 -0.845 . . . . 33.06 109.502 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -131.13 132.04 44.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.983 -1.117 . . . . 37.04 107.983 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 84.9 m-85 -109.37 117.31 33.7 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.993 -1.484 . . . . 31.79 106.993 172.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.2 p -83.63 48.85 1.49 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.865 0.728 . . . . 32.78 110.132 -168.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -52.27 151.5 3.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.239 -1.023 . . . . 64.88 108.239 166.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p 73.59 -3.22 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.472 0.709 . . . . 47.68 112.526 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 2.0 tp -128.53 -110.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.139 -1.059 . . . . 37.07 108.139 169.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 77' ' ' LEU . 13.0 p-10 -95.43 0.23 53.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.727 1.01 . . . . 33.66 113.727 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.5 t30 56.47 43.07 26.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.408 0.623 . . . . 48.27 110.954 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -107.23 162.31 14.0 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.865 0.84 . . . . 39.61 110.228 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.6 t-80 -95.87 125.75 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.392 -1.276 . . . . 32.27 108.188 176.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.24 158.36 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 108.191 -1.04 . . . . 27.26 108.191 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -104.46 107.98 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.421 -1.325 . . . . 36.08 107.421 172.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.66 135.38 39.54 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.625 -0.261 . . . . 30.14 110.823 -170.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 tp -129.17 119.77 24.65 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.265 -1.013 . . . . 35.8 108.265 173.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 t -106.13 132.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.806 -1.183 . . . . 28.81 107.806 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.2 p -139.35 158.5 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.576 -0.898 . . . . 31.3 108.576 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -86.73 138.36 31.69 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.134 -0.484 . . . . 30.2 110.531 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -122.79 98.72 6.04 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.782 -2.303 . . . . 43.66 104.782 162.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.04 -124.3 36.27 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.002 -1.239 . . . . 29.54 110.002 -168.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -93.36 8.14 41.63 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.7 0.63 . . . . 45.22 112.7 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -98.79 125.87 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 108.72 -0.844 . . . . 24.07 108.72 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 tp -84.81 121.57 27.9 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.66 -0.867 . . . . 27.84 108.66 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.52 127.88 72.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.657 -0.868 . . . . 26.46 108.657 -173.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.0 129.75 52.73 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.985 -0.286 . . . . 27.03 110.552 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.32 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.547 -1.279 . . . . 28.83 107.547 167.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 104' ' ' ARG . 78.0 mt-30 -105.57 91.66 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.038 -1.467 . . . . 27.43 107.038 178.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 98' ' ' LYS . 7.9 mtmm -73.3 127.34 32.39 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.051 -0.522 . . . . 44.83 110.303 -178.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.18 -150.22 8.82 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 31.73 112.148 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -63.42 -41.49 98.71 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.011 -0.676 . . . . 44.61 111.622 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -79.62 131.8 36.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.945 -0.472 . . . . 36.21 110.728 -172.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 147.9 34.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.747 -0.661 . . . . 54.48 110.666 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.5 t30 52.19 46.42 26.66 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.898 0.856 . . . . 39.45 110.127 174.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 97' ' ' GLN . 32.8 ttt180 -104.97 122.94 46.9 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.043 -0.725 . . . . 29.23 109.043 -177.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.18 -157.26 20.38 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.318 -1.113 . . . . 25.39 110.318 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -162.41 161.07 27.13 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.31 0.576 . . . . 25.56 109.742 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -131.72 141.2 49.47 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.853 1.261 . . . . 48.16 108.782 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -142.18 126.64 17.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.603 -1.258 . . . . 37.94 107.603 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -158.55 157.53 32.21 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.481 -0.887 . . . . 30.01 110.167 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.5 mm -97.56 138.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 114.924 -1.035 . . . . 38.53 109.114 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.26 111.7 7.26 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.801 -1.555 . . . . 51.5 106.801 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.53 -129.64 19.8 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 111.062 -0.815 . . . . 40.37 111.062 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -98.46 24.03 7.83 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.353 -0.498 . . . . 52.32 111.838 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.03 138.36 54.46 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.091 -0.381 . . . . 48.49 110.105 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 tp -106.71 124.4 49.56 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.706 -1.22 . . . . 34.46 107.706 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -103.28 137.82 40.9 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.337 0.655 . . . . 32.86 109.869 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.9 tp -137.19 120.85 17.31 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.82 -1.178 . . . . 27.58 107.82 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.414 ' OE1' ' NH1' ' A' ' 127' ' ' ARG . 41.1 mt-10 -115.73 119.4 35.94 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.164 -1.05 . . . . 46.28 108.164 176.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.14 136.38 44.75 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.58 0.752 . . . . 27.88 109.884 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.5 p -125.53 140.73 52.51 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.94 0.4 . . . . 30.2 110.206 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.0 t -150.9 121.8 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.098 -1.445 . . . . 29.0 107.098 167.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.04 -127.24 40.26 Favored Glycine 0 C--O 1.237 0.325 0 N-CA-C 110.635 -0.986 . . . . 33.25 110.635 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.78 10.12 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.061 -0.67 . . . . 47.47 112.232 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -101.34 137.28 39.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.008 0.367 . . . . 32.74 110.646 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -124.97 128.18 72.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.108 -1.071 . . . . 33.22 108.108 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -111.52 127.29 55.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.36 -0.978 . . . . 28.61 108.36 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.414 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 36.7 mtt-85 -112.86 121.2 43.98 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.03 -0.73 . . . . 50.2 109.03 -176.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -118.67 143.69 46.68 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.966 -0.753 . . . . 27.55 108.966 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.05 131.82 70.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.518 -1.29 . . . . 31.37 107.518 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.81 146.95 44.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.703 -0.851 . . . . 29.89 108.703 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -108.18 140.75 40.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.042 -0.526 . . . . 56.21 109.637 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -71.77 126.81 30.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.001 -0.679 . . . . 34.85 109.571 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 52.06 112.143 170.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_