data_6q9u_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 6q9u _Structure_validation_residue.Date_analyzed 2019-05-10 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 ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.533 -0.914 . . . . 49.24 108.533 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 9.74 22.08 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.932 -0.766 . . . . 45.37 108.932 156.457 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -83.1 131.92 35.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.312 -1.313 . . . . 47.87 109.892 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.46 161.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.052 -1.092 . . . . 38.19 108.052 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -121.45 109.92 34.38 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.975 -1.12 . . . . 48.85 107.975 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -61.23 138.57 78.21 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 O-C-N 123.031 1.016 . . . . 32.1 111.504 177.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.67 160.36 28.14 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 107.169 -1.419 . . . . 30.46 107.169 169.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.36 -54.2 23.51 Favored Pre-proline 0 C--O 1.245 0.832 0 N-CA-C 116.02 1.859 . . . . 32.13 116.02 -172.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.28 -41.2 68.91 Favored 'Trans proline' 0 N--CA 1.486 1.085 0 C-N-CA 116.499 -1.868 . . . . 30.18 112.821 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.78 -44.39 85.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.108 0.41 . . . . 28.75 112.108 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.15 -43.39 95.8 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.185 -0.461 . . . . 29.99 111.89 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -50.26 -50.37 50.34 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.668 0.387 . . . . 39.08 110.584 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.67 -38.03 77.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.845 0 C-N-CA 122.777 0.431 . . . . 31.86 111.996 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.09 -46.88 69.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.925 0.343 . . . . 31.81 111.925 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -61.28 -37.58 83.66 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.182 0.301 . . . . 33.82 111.711 174.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.2 70.46 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.287 0.367 . . . . 33.98 111.276 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.36 9.09 14.06 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.652 0.612 . . . . 35.7 112.652 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.28 -17.4 21.68 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 116.904 1.522 . . . . 37.69 116.904 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.19 139.2 24.23 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.894 0.701 . . . . 38.41 112.894 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -106.54 156.15 18.87 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.131 -1.063 . . . . 43.59 108.131 170.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.61 -172.34 53.37 Favored Glycine 0 N--CA 1.46 0.294 0 N-CA-C 115.439 0.935 . . . . 40.8 115.439 172.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.94 2.21 5.96 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.589 0.588 . . . . 50.56 112.589 -175.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.3 ttp -126.14 129.32 48.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.704 -0.68 . . . . 49.73 110.94 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -144.04 168.68 19.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.952 1.093 . . . . 38.55 113.952 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.1 p -90.66 165.95 13.43 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 106.105 -1.813 . . . . 37.96 106.105 167.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.9 -36.6 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.291 -0.262 . . . . 36.0 110.291 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -60.99 -44.58 97.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.837 -0.165 . . . . 40.38 111.182 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.68 -48.43 81.82 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.876 0.735 . . . . 37.81 110.766 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.96 -45.8 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 32.99 111.082 175.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.1 mmm -64.92 -43.57 92.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.265 -0.643 . . . . 35.14 109.265 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -55.86 -49.21 73.97 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.445 -0.798 . . . . 32.9 110.98 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -75.52 -34.86 60.82 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.223 0.823 . . . . 38.85 113.223 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.62 -49.96 74.72 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.104 0.253 . . . . 30.52 110.761 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.45 -45.04 97.21 Favored Glycine 0 C--N 1.332 0.348 0 O-C-N 123.716 0.635 . . . . 29.84 112.661 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.87 -47.13 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.858 -0.423 . . . . 30.81 109.858 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -53.86 -47.56 70.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.734 0.272 . . . . 32.32 111.734 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.55 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.211 0.529 . . . . 30.71 110.574 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.01 -43.42 62.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.435 -0.802 . . . . 33.08 111.695 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.58 -27.91 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 111.532 0.197 . . . . 35.62 111.532 -176.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -88.18 -1.94 58.31 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 110.022 -0.362 . . . . 35.51 110.022 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 38.69 56.76 1.88 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.777 0.831 . . . . 43.77 111.693 -174.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.3 mt -75.13 -15.85 60.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.055 0.761 . . . . 36.4 113.055 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -78.33 158.77 28.72 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 121.47 0.652 . . . . 36.26 111.773 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.57 121.12 25.92 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.224 -1.028 . . . . 37.9 108.224 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 327' ' ' HOH . 2.3 mm-40 -52.94 -35.68 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.462 -0.495 . . . . 44.41 111.876 175.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -88.39 -10.72 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.91 1.078 . . . . 37.21 113.91 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -150.79 88.46 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.659 -1.608 . . . . 40.79 106.659 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.58 -7.09 59.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 115.579 1.696 . . . . 39.92 115.579 -159.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -87.4 -5.66 58.77 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.492 -0.558 . . . . 42.97 109.492 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.35 118.89 37.01 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.526 0.516 . . . . 38.55 112.286 -179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.55 122.83 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.607 -0.724 . . . . 39.18 109.842 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.94 108.73 20.01 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.587 0.708 . . . . 42.02 109.737 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 p -127.58 7.8 6.35 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 114.916 -1.038 . . . . 43.2 113.267 -167.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.24 141.28 43.99 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.992 -1.643 . . . . 43.81 108.992 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.28 24.91 70.91 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.298 -0.477 . . . . 44.99 113.664 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.06 159.47 34.95 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.394 -0.965 . . . . 47.97 108.394 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.58 -45.35 63.08 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.884 -0.784 . . . . 45.61 108.884 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -39.47 94.27 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.678 0.611 . . . . 41.84 112.262 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.93 -48.53 62.1 Favored Glycine 0 C--O 1.224 -0.482 0 N-CA-C 111.672 -0.571 . . . . 41.03 111.672 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -46.13 89.61 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.054 0.39 . . . . 50.52 112.054 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -47.82 80.6 Favored 'General case' 0 CA--C 1.522 -0.1 0 O-C-N 124.302 1.001 . . . . 42.09 111.821 178.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.86 -20.44 42.31 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.782 1.03 . . . . 42.66 113.782 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.87 43.86 95.47 Favored Glycine 0 C--N 1.332 0.323 0 N-CA-C 110.273 -1.131 . . . . 44.28 110.273 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -148.53 151.17 34.65 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.06 0.457 . . . . 52.67 111.522 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -81.74 -39.81 23.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.385 -0.825 . . . . 50.89 108.898 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.8 p -145.63 164.28 32.21 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 124.082 0.864 . . . . 43.99 110.863 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -164.86 158.92 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.155 -0.313 . . . . 43.43 110.155 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 131.19 44.69 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.726 -0.67 . . . . 44.91 109.687 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.13 -25.1 34.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.895 0.747 . . . . 47.71 109.881 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -66.47 -25.74 66.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.768 0.827 . . . . 50.79 111.99 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 76.69 63.84 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 109.144 -0.687 . . . . 53.1 109.144 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . 0.703 ' CG ' 'CL ' ' A' ' 201' ' ' HRE . 65.3 Cg_endo -103.85 59.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.644 0 C-N-CA 122.473 2.115 . . . . 45.7 112.813 -167.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.8 p -76.5 -31.03 0.9 Allowed Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 119.256 -0.978 . . . . 42.04 109.426 159.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 97' ' ' SER . 52.2 Cg_exo -56.18 -51.7 8.86 Favored 'Trans proline' 0 C--N 1.358 1.044 0 O-C-N 121.979 0.463 . . . . 38.02 111.345 172.56 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.19 -45.63 83.57 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 113.411 0.893 . . . . 34.95 113.411 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . 0.448 ' CD1' ' O ' ' A' ' 96' ' ' PRO . 34.1 m-85 -76.64 -29.96 56.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.425 0.898 . . . . 37.52 113.425 -172.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -60.8 -47.66 85.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.769 0.668 . . . . 38.18 109.99 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -60.49 -42.69 96.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.681 -0.69 . . . . 32.11 110.109 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.36 -37.28 74.58 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.226 0.454 . . . . 29.6 112.226 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -56.04 -43.77 78.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.558 -0.534 . . . . 36.66 109.558 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -82.38 -21.88 35.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.944 1.461 . . . . 42.54 114.944 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -111.68 -2.96 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 116.774 2.138 . . . . 32.93 116.774 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.0 122.16 47.19 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 109.724 -0.473 . . . . 33.42 109.724 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.99 126.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.613 -0.884 . . . . 36.26 108.613 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 t -100.01 156.2 17.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.92 -1.036 . . . . 41.33 111.238 -175.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.54 0.736 . . . . 46.06 112.732 168.183 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HRE . . . . . 0.703 'CL ' ' CG ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.546 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 26' ' ' ASN . 3.8 tt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.533 -0.914 . . . . 49.240000000000002 108.533 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' H ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -111.05 9.74 22.08 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.932 -0.766 . . . . 45.369999999999997 108.932 156.457 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.1 131.92 35.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.312 -1.313 . . . . 47.869999999999997 109.892 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.46 161.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.052 -1.092 . . . . 38.189999999999998 108.052 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -121.45 109.92 34.38 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.975 -1.12 . . . . 48.850000000000001 107.975 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -61.23 138.57 78.21 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 O-C-N 123.031 1.016 . . . . 32.100000000000001 111.504 177.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.67 160.36 28.14 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 107.169 -1.419 . . . . 30.460000000000001 107.169 169.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.36 -54.2 23.51 Favored Pre-proline 0 C--O 1.245 0.832 0 N-CA-C 116.02 1.859 . . . . 32.130000000000003 116.02 -172.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.28 -41.2 68.91 Favored 'Trans proline' 0 N--CA 1.486 1.085 0 C-N-CA 116.499 -1.868 . . . . 30.18 112.821 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.78 -44.39 85.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.108 0.41 . . . . 28.75 112.108 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE1' ' A' ' 39' ' ' HIS . 20.7 tp -60.15 -43.39 95.8 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.185 -0.461 . . . . 29.989999999999998 111.89 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -50.26 -50.37 50.34 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.668 0.387 . . . . 39.079999999999998 110.584 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.67 -38.03 77.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.845 0 C-N-CA 122.777 0.431 . . . . 31.859999999999999 111.996 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.09 -46.88 69.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.925 0.343 . . . . 31.809999999999999 111.925 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 42.8 m170 -61.28 -37.58 83.66 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.182 0.301 . . . . 33.82 111.711 174.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.2 70.46 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.287 0.367 . . . . 33.979999999999997 111.276 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 60' ' ' TYR . . . -84.36 9.09 14.06 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.652 0.612 . . . . 35.700000000000003 112.652 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.28 -17.4 21.68 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 116.904 1.522 . . . . 37.689999999999998 116.904 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.19 139.2 24.23 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.894 0.701 . . . . 38.409999999999997 112.894 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -106.54 156.15 18.87 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.131 -1.063 . . . . 43.590000000000003 108.131 170.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.61 -172.34 53.37 Favored Glycine 0 N--CA 1.46 0.294 0 N-CA-C 115.439 0.935 . . . . 40.799999999999997 115.439 172.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.94 2.21 5.96 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.589 0.588 . . . . 50.560000000000002 112.589 -175.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.3 ttp -126.14 129.32 48.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.704 -0.68 . . . . 49.729999999999997 110.94 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -144.04 168.68 19.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.952 1.093 . . . . 38.549999999999997 113.952 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 53' ' ' VAL . 76.1 p -90.66 165.95 13.43 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 106.105 -1.813 . . . . 37.960000000000001 106.105 167.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.9 -36.6 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.291 -0.262 . . . . 36.0 110.291 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -60.99 -44.58 97.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.837 -0.165 . . . . 40.380000000000003 111.182 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.68 -48.43 81.82 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.876 0.735 . . . . 37.810000000000002 110.766 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 49' ' ' THR . 60.7 t -54.96 -45.8 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 32.990000000000002 111.082 175.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.1 mmm -64.92 -43.57 92.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.265 -0.643 . . . . 35.140000000000001 109.265 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -55.86 -49.21 73.97 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.445 -0.798 . . . . 32.899999999999999 110.98 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -75.52 -34.86 60.82 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.223 0.823 . . . . 38.850000000000001 113.223 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.62 -49.96 74.72 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.104 0.253 . . . . 30.52 110.761 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -61.45 -45.04 97.21 Favored Glycine 0 C--N 1.332 0.348 0 O-C-N 123.716 0.635 . . . . 29.84 112.661 177.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.87 -47.13 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.858 -0.423 . . . . 30.809999999999999 109.858 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 61.7 t80 -53.86 -47.56 70.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.734 0.272 . . . . 32.32 111.734 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.55 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.211 0.529 . . . . 30.710000000000001 110.574 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 90.9 mmm -73.01 -43.42 62.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.435 -0.802 . . . . 33.079999999999998 111.695 -175.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.58 -27.91 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 111.532 0.197 . . . . 35.619999999999997 111.532 -176.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -88.18 -1.94 58.31 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 110.022 -0.362 . . . . 35.509999999999998 110.022 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 38.69 56.76 1.88 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.777 0.831 . . . . 43.770000000000003 111.693 -174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.3 mt -75.13 -15.85 60.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.055 0.761 . . . . 36.399999999999999 113.055 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -78.33 158.77 28.72 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 121.47 0.652 . . . . 36.259999999999998 111.773 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.57 121.12 25.92 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.224 -1.028 . . . . 37.899999999999999 108.224 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' ' 327' ' ' HOH . 1.9 mm100 -52.94 -35.68 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.462 -0.495 . . . . 44.409999999999997 111.876 175.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -88.39 -10.72 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.91 1.078 . . . . 37.210000000000001 113.91 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -150.79 88.46 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.659 -1.608 . . . . 40.789999999999999 106.659 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.58 -7.09 59.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 115.579 1.696 . . . . 39.920000000000002 115.579 -159.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . 0.519 ' HD2' ' O ' ' A' ' 326' ' ' HOH . 30.4 p80 -87.4 -5.66 58.77 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.492 -0.558 . . . . 42.969999999999999 109.492 174.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.35 118.89 37.01 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.526 0.516 . . . . 38.549999999999997 112.286 -179.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.55 122.83 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.607 -0.724 . . . . 39.18 109.842 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.94 108.73 20.01 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.587 0.708 . . . . 42.020000000000003 109.737 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 p -127.58 7.8 6.35 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 114.916 -1.038 . . . . 43.200000000000003 113.267 -167.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.24 141.28 43.99 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.992 -1.643 . . . . 43.810000000000002 108.992 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.28 24.91 70.91 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.298 -0.477 . . . . 44.990000000000002 113.664 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.06 159.47 34.95 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.394 -0.965 . . . . 47.969999999999999 108.394 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.58 -45.35 63.08 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.884 -0.784 . . . . 45.609999999999999 108.884 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -39.47 94.27 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.678 0.611 . . . . 41.840000000000003 112.262 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.93 -48.53 62.1 Favored Glycine 0 C--O 1.224 -0.482 0 N-CA-C 111.672 -0.571 . . . . 41.030000000000001 111.672 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -46.13 89.61 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.054 0.39 . . . . 50.520000000000003 112.054 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -47.82 80.6 Favored 'General case' 0 CA--C 1.522 -0.1 0 O-C-N 124.302 1.001 . . . . 42.090000000000003 111.821 178.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.86 -20.44 42.31 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.782 1.03 . . . . 42.659999999999997 113.782 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.87 43.86 95.47 Favored Glycine 0 C--N 1.332 0.323 0 N-CA-C 110.273 -1.131 . . . . 44.280000000000001 110.273 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -148.53 151.17 34.65 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.06 0.457 . . . . 52.670000000000002 111.522 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -81.74 -39.81 23.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.385 -0.825 . . . . 50.890000000000001 108.898 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.8 p -145.63 164.28 32.21 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 124.082 0.864 . . . . 43.990000000000002 110.863 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -164.86 158.92 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.155 -0.313 . . . . 43.43 110.155 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 94' ' ' LYS . 15.2 t -98.09 131.19 44.69 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.726 -0.67 . . . . 44.909999999999997 109.687 177.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.13 -25.1 34.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.895 0.747 . . . . 47.710000000000001 109.881 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 29.5 mttm -66.47 -25.74 66.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.768 0.827 . . . . 50.789999999999999 111.99 173.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 76.69 63.84 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 109.144 -0.687 . . . . 53.100000000000001 109.144 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . 0.703 ' CG ' 'CL ' ' A' ' 201' ' ' HRE . 65.3 Cg_endo -103.85 59.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.644 0 C-N-CA 122.473 2.115 . . . . 45.700000000000003 112.813 -167.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.8 p -76.5 -31.03 0.9 Allowed Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 119.256 -0.978 . . . . 42.039999999999999 109.426 159.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 97' ' ' SER . 52.2 Cg_exo -56.18 -51.7 8.86 Favored 'Trans proline' 0 C--N 1.358 1.044 0 O-C-N 121.979 0.463 . . . . 38.020000000000003 111.345 172.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD13 ' N31' ' A' ' 201' ' ' HRE . 28.6 tp -57.19 -45.63 83.57 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 113.411 0.893 . . . . 34.950000000000003 113.411 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . 0.448 ' CD1' ' O ' ' A' ' 96' ' ' PRO . 34.1 m-85 -76.64 -29.96 56.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.425 0.898 . . . . 37.520000000000003 113.425 -172.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -60.8 -47.66 85.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.769 0.668 . . . . 38.18 109.99 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -60.49 -42.69 96.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.681 -0.69 . . . . 32.109999999999999 110.109 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.36 -37.28 74.58 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.226 0.454 . . . . 29.600000000000001 112.226 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -56.04 -43.77 78.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.558 -0.534 . . . . 36.659999999999997 109.558 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -82.38 -21.88 35.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.944 1.461 . . . . 42.539999999999999 114.944 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -111.68 -2.96 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 116.774 2.138 . . . . 32.93 116.774 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.0 122.16 47.19 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 109.724 -0.473 . . . . 33.420000000000002 109.724 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.99 126.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.613 -0.884 . . . . 36.259999999999998 108.613 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . 0.694 HG23 ' HG ' ' A' ' 110' ' ' LEU . 3.0 t -100.01 156.2 17.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.92 -1.036 . . . . 41.329999999999998 111.238 -175.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . 0.694 ' HG ' HG23 ' A' ' 109' ' ' THR . 4.1 pp . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.54 0.736 . . . . 46.060000000000002 112.732 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HRE . . . . . 0.703 'CL ' ' CG ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.403 ' O ' HG22 ' A' ' 109' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . 0.519 ' O ' ' HD2' ' A' ' 73' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . 0.705 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 26' ' ' ASN . 3.8 tt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.533 -0.914 . . . . 49.24 108.533 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' H ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -111.05 9.74 22.08 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.932 -0.766 . . . . 45.37 108.932 156.457 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -83.1 131.92 35.13 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.312 -1.313 . . . . 47.87 109.892 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.46 161.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.052 -1.092 . . . . 38.19 108.052 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -121.45 109.92 34.38 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.975 -1.12 . . . . 48.85 107.975 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -61.23 138.57 78.21 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 O-C-N 123.031 1.016 . . . . 32.1 111.504 177.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.67 160.36 28.14 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 107.169 -1.419 . . . . 30.46 107.169 169.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.36 -54.2 23.51 Favored Pre-proline 0 C--O 1.245 0.832 0 N-CA-C 116.02 1.859 . . . . 32.13 116.02 -172.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.28 -41.2 68.91 Favored 'Trans proline' 0 N--CA 1.486 1.085 0 C-N-CA 116.499 -1.868 . . . . 30.18 112.821 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.78 -44.39 85.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.108 0.41 . . . . 28.75 112.108 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE1' ' A' ' 39' ' ' HIS . 20.7 tp -60.15 -43.39 95.8 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.185 -0.461 . . . . 29.99 111.89 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -50.26 -50.37 50.34 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.668 0.387 . . . . 39.08 110.584 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.67 -38.03 77.4 Favored 'Isoleucine or valine' 0 C--O 1.245 0.845 0 C-N-CA 122.777 0.431 . . . . 31.86 111.996 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.09 -46.88 69.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.925 0.343 . . . . 31.81 111.925 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 42.8 m170 -61.28 -37.58 83.66 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.182 0.301 . . . . 33.82 111.711 174.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.2 70.46 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.287 0.367 . . . . 33.98 111.276 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 60' ' ' TYR . . . -84.36 9.09 14.06 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.652 0.612 . . . . 35.7 112.652 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.28 -17.4 21.68 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 116.904 1.522 . . . . 37.69 116.904 171.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.19 139.2 24.23 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.894 0.701 . . . . 38.41 112.894 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -106.54 156.15 18.87 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.131 -1.063 . . . . 43.59 108.131 170.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.61 -172.34 53.37 Favored Glycine 0 N--CA 1.46 0.294 0 N-CA-C 115.439 0.935 . . . . 40.8 115.439 172.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.94 2.21 5.96 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.589 0.588 . . . . 50.56 112.589 -175.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.3 ttp -126.14 129.32 48.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.704 -0.68 . . . . 49.73 110.94 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -144.04 168.68 19.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.952 1.093 . . . . 38.55 113.952 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 53' ' ' VAL . 76.1 p -90.66 165.95 13.43 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 106.105 -1.813 . . . . 37.96 106.105 167.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.9 -36.6 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.291 -0.262 . . . . 36.0 110.291 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -60.99 -44.58 97.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.837 -0.165 . . . . 40.38 111.182 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.68 -48.43 81.82 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.876 0.735 . . . . 37.81 110.766 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 49' ' ' THR . 60.7 t -54.96 -45.8 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 32.99 111.082 175.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.1 mmm -64.92 -43.57 92.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.265 -0.643 . . . . 35.14 109.265 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -55.86 -49.21 73.97 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.445 -0.798 . . . . 32.9 110.98 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -75.52 -34.86 60.82 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.223 0.823 . . . . 38.85 113.223 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.62 -49.96 74.72 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.104 0.253 . . . . 30.52 110.761 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -61.45 -45.04 97.21 Favored Glycine 0 C--N 1.332 0.348 0 O-C-N 123.716 0.635 . . . . 29.84 112.661 177.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.87 -47.13 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.858 -0.423 . . . . 30.81 109.858 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 61.7 t80 -53.86 -47.56 70.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.734 0.272 . . . . 32.32 111.734 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.55 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.211 0.529 . . . . 30.71 110.574 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 90.9 mmm -73.01 -43.42 62.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.435 -0.802 . . . . 33.08 111.695 -175.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.58 -27.91 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 111.532 0.197 . . . . 35.62 111.532 -176.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -88.18 -1.94 58.31 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 110.022 -0.362 . . . . 35.51 110.022 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 38.69 56.76 1.88 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.777 0.831 . . . . 43.77 111.693 -174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.3 mt -75.13 -15.85 60.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.055 0.761 . . . . 36.4 113.055 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -78.33 158.77 28.72 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 121.47 0.652 . . . . 36.26 111.773 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.57 121.12 25.92 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.224 -1.028 . . . . 37.9 108.224 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' ' 327' ' ' HOH . 2.3 mm-40 -52.94 -35.68 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.462 -0.495 . . . . 44.41 111.876 175.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -88.39 -10.72 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.91 1.078 . . . . 37.21 113.91 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -150.79 88.46 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.659 -1.608 . . . . 40.79 106.659 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.58 -7.09 59.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 115.579 1.696 . . . . 39.92 115.579 -159.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.519 ' HD2' ' O ' ' A' ' 326' ' ' HOH . 30.4 p80 -87.4 -5.66 58.77 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.492 -0.558 . . . . 42.97 109.492 174.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.35 118.89 37.01 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.526 0.516 . . . . 38.55 112.286 -179.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.55 122.83 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.607 -0.724 . . . . 39.18 109.842 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.94 108.73 20.01 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.587 0.708 . . . . 42.02 109.737 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 p -127.58 7.8 6.35 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 114.916 -1.038 . . . . 43.2 113.267 -167.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.24 141.28 43.99 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.992 -1.643 . . . . 43.81 108.992 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.28 24.91 70.91 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 121.298 -0.477 . . . . 44.99 113.664 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.06 159.47 34.95 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.394 -0.965 . . . . 47.97 108.394 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.58 -45.35 63.08 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.884 -0.784 . . . . 45.61 108.884 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -39.47 94.27 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.678 0.611 . . . . 41.84 112.262 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.93 -48.53 62.1 Favored Glycine 0 C--O 1.224 -0.482 0 N-CA-C 111.672 -0.571 . . . . 41.03 111.672 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -46.13 89.61 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.054 0.39 . . . . 50.52 112.054 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -47.82 80.6 Favored 'General case' 0 CA--C 1.522 -0.1 0 O-C-N 124.302 1.001 . . . . 42.09 111.821 178.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.86 -20.44 42.31 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.782 1.03 . . . . 42.66 113.782 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.87 43.86 95.47 Favored Glycine 0 C--N 1.332 0.323 0 N-CA-C 110.273 -1.131 . . . . 44.28 110.273 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -148.53 151.17 34.65 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.06 0.457 . . . . 52.67 111.522 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -81.74 -39.81 23.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.385 -0.825 . . . . 50.89 108.898 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.8 p -145.63 164.28 32.21 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 124.082 0.864 . . . . 43.99 110.863 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -164.86 158.92 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.155 -0.313 . . . . 43.43 110.155 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 94' ' ' LYS . 15.2 t -98.09 131.19 44.69 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.726 -0.67 . . . . 44.91 109.687 177.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.13 -25.1 34.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.895 0.747 . . . . 47.71 109.881 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 29.5 mttm -66.47 -25.74 66.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.768 0.827 . . . . 50.79 111.99 173.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 76.69 63.84 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 109.144 -0.687 . . . . 53.1 109.144 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.703 ' CG ' 'CL ' ' A' ' 201' ' ' HRE . 65.3 Cg_endo -103.85 59.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.644 0 C-N-CA 122.473 2.115 . . . . 45.7 112.813 -167.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.8 p -76.5 -31.03 0.9 Allowed Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 119.256 -0.978 . . . . 42.04 109.426 159.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 97' ' ' SER . 52.2 Cg_exo -56.18 -51.7 8.86 Favored 'Trans proline' 0 C--N 1.358 1.044 0 O-C-N 121.979 0.463 . . . . 38.02 111.345 172.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD13 ' N31' ' A' ' 201' ' ' HRE . 28.6 tp -57.19 -45.63 83.57 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 113.411 0.893 . . . . 34.95 113.411 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.448 ' CD1' ' O ' ' A' ' 96' ' ' PRO . 34.1 m-85 -76.64 -29.96 56.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.425 0.898 . . . . 37.52 113.425 -172.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -60.8 -47.66 85.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.769 0.668 . . . . 38.18 109.99 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -60.49 -42.69 96.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.681 -0.69 . . . . 32.11 110.109 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.36 -37.28 74.58 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.226 0.454 . . . . 29.6 112.226 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -56.04 -43.77 78.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.558 -0.534 . . . . 36.66 109.558 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -82.38 -21.88 35.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.944 1.461 . . . . 42.54 114.944 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -111.68 -2.96 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 116.774 2.138 . . . . 32.93 116.774 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.0 122.16 47.19 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 109.724 -0.473 . . . . 33.42 109.724 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.99 126.93 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.613 -0.884 . . . . 36.26 108.613 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . 0.694 HG23 ' HG ' ' A' ' 110' ' ' LEU . 3.0 t -100.01 156.2 17.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.92 -1.036 . . . . 41.33 111.238 -175.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.694 ' HG ' HG23 ' A' ' 109' ' ' THR . 4.1 pp . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.54 0.736 . . . . 46.06 112.732 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HRE . . . . . 0.703 'CL ' ' CG ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.403 ' O ' HG22 ' A' ' 109' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . 0.519 ' O ' ' HD2' ' A' ' 73' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . 0.705 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_