data_1bt6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1bt6 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 1 N--CA 1.537 4.067 0 CA-C-O 117.2 -1.25 . . . . 35.75 109.873 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -78.03 159.07 28.97 Favored 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 112.819 -3.552 . . . . 39.340000000000003 110.722 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -42.74 -46.12 5.02 Favored 'General case' 0 C--N 1.294 -1.84 1 C-N-CA 132.726 4.41 . . . . 54.420000000000002 112.452 167.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mmm -62.07 -51.31 68.45 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 123.264 1.506 . . . . 42.340000000000003 110.921 175.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.79 -36.2 74.05 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 118.786 -2.446 . . . . 41.149999999999999 110.443 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.45 -38.73 88.01 Favored 'General case' 0 C--O 1.182 -2.448 0 CA-C-O 123.208 1.48 . . . . 50.829999999999998 110.408 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.47 92.97 Favored 'General case' 0 C--O 1.276 2.47 1 O-C-N 114.443 -5.161 . . . . 29.079999999999998 110.341 178.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp -66.84 -33.09 74.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 126.23 2.919 . . . . 39.390000000000001 114.916 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.37 -47.75 59.48 Favored 'General case' 0 C--N 1.378 1.831 0 O-C-N 119.527 -1.983 . . . . 33.549999999999997 105.961 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.55 0.6 OUTLIER -55.75 -36.16 66.99 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 117.056 -1.858 . . . . 36.689999999999998 113.733 -179.265 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -70.69 -47.26 60.78 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.454 -2.654 . . . . 43.399999999999999 112.082 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttp -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.251 -1.388 . . . . 51.729999999999997 107.251 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -68.35 -33.76 74.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.545 -2.597 . . . . 57.719999999999999 111.967 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.8 m -55.99 -42.3 76.13 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-N 120.696 1.589 . . . . 44.299999999999997 108.973 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.02 -50.58 72.92 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 117.662 -3.149 . . . . 40.090000000000003 111.858 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 69.0 m-70 -65.36 -35.65 81.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 127.649 2.38 . . . . 44.200000000000003 108.682 -169.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -66.9 -33.79 76.36 Favored 'General case' 0 C--O 1.254 1.331 0 O-C-N 120.683 -1.26 . . . . 55.149999999999999 111.87 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.88 -22.0 17.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 117.24 -3.413 . . . . 52.829999999999998 107.082 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.0 -17.46 50.23 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.483 -3.261 . . . . 51.009999999999998 116.224 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.23 -161.28 8.68 Favored Glycine 0 N--CA 1.473 1.164 0 O-C-N 118.388 -2.695 . . . . 57.270000000000003 114.727 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -62.54 -36.34 82.31 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 116.934 -1.507 . . . . 75.280000000000001 112.521 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -27.66 4.95 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.392 1.627 . . . . 64.950000000000003 115.392 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.54 7.11 88.6 Favored Glycine 0 CA--C 1.498 -0.974 0 O-C-N 119.037 -2.289 . . . . 60.869999999999997 118.175 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -144.78 161.06 40.2 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 118.884 -1.126 . . . . 68.480000000000004 108.152 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.57 153.74 19.47 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 127.135 3.35 . . . . 49.240000000000002 107.834 174.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -110.27 178.9 4.25 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 101.695 -3.446 . . . . 47.609999999999999 101.695 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -43.69 88.98 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 125.839 2.733 . . . . 70.780000000000001 111.616 176.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -65.64 -42.41 91.48 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 118.554 -2.591 . . . . 71.980000000000004 111.853 -176.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.52 -34.39 78.12 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 114.837 -2.506 . . . . 58.990000000000002 108.849 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.86 -43.46 92.91 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 126.089 2.852 . . . . 48.259999999999998 112.525 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -67.8 -40.45 83.89 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-O 115.364 -2.255 . . . . 67.959999999999994 108.048 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . 0.257 1.7 t -69.59 -40.7 79.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 115.755 -2.378 . . . . 45.259999999999998 108.949 -179.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.32 87.59 Favored 'General case' 0 C--O 1.271 2.207 0 O-C-N 126.969 2.668 . . . . 42.770000000000003 109.265 176.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . 0.524 ' O ' ' O ' ' A' ' 37' ' ' GLU . 4.4 mtp -71.11 -35.32 71.75 Favored 'General case' 0 CA--C 1.49 -1.339 0 O-C-N 118.291 -2.756 . . . . 57.770000000000003 111.582 175.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 117.331 -3.355 . . . . 66.069999999999993 109.759 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -76.53 -38.18 55.53 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 118.745 -2.472 . . . . 67.629999999999995 112.857 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' A' ' 34' ' ' MET . 80.8 mm-40 -96.43 142.4 28.58 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-O 113.878 -2.963 . . . . 49.57 104.274 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.17 44.85 0.7 Allowed Pre-proline 0 N--CA 1.51 2.562 2 CA-C-N 134.586 7.903 . . . . 51.630000000000003 117.049 -179.436 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.76 -6.55 15.28 Favored 'Trans proline' 0 C--O 1.261 1.628 0 O-C-N 116.063 -2.651 . . . . 57.810000000000002 113.629 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.43 -9.87 58.65 Favored Glycine 0 C--O 1.251 1.217 0 CA-C-O 125.851 2.917 . . . . 57.399999999999999 110.586 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' OG ' ' D' ' 11' ' ' SER . 86.4 t80 -86.68 -60.32 2.02 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-N 113.059 -1.57 . . . . 53.359999999999999 113.469 -176.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -51.48 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 122.717 1.246 . . . . 60.219999999999999 112.721 -176.24 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -40.43 -32.56 0.2 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.554 2.342 . . . . 76.280000000000001 113.175 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -80.83 -9.34 59.83 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 121.91 2.141 . . . . 86.829999999999998 112.464 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.9 mm100 -76.82 152.36 35.55 Favored 'General case' 0 C--O 1.276 2.459 1 N-CA-C 96.974 -5.195 . . . . 78.829999999999998 96.974 171.922 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.328 1.7 mptt -98.55 -5.41 32.14 Favored 'General case' 0 N--CA 1.518 2.928 2 CA-C-N 128.08 4.946 . . . . 83.900000000000006 110.621 -178.942 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 64.8 t0 -73.12 111.33 11.16 Favored Pre-proline 0 N--CA 1.413 -2.305 0 C-N-CA 131.245 3.818 . . . . 68.530000000000001 117.475 -179.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.66 -2.69 12.54 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.633 2.888 . . . . 61.520000000000003 113.384 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 41.9 mt -100.83 -6.27 25.04 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 126.193 1.797 . . . . 46.840000000000003 111.356 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.79 -52.92 2.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.684 2.659 . . . . 45.579999999999998 116.379 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -52.79 -52.6 26.5 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 0 O-C-N 116.934 -3.603 . . . . 44.619999999999997 110.994 173.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.36 -39.17 72.45 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 120.602 -1.311 . . . . 53.340000000000003 113.74 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -72.91 -32.91 65.65 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.178 -0.465 . . . . 48.689999999999998 110.509 177.954 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -65.8 -53.84 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 105.788 -1.93 . . . . 44.009999999999998 105.788 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 tpt -47.58 -35.54 9.27 Favored 'General case' 0 C--O 1.238 0.46 1 CA-C-O 128.967 4.222 . . . . 51.420000000000002 114.735 177.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -43.86 85.51 Favored 'General case' 0 N--CA 1.447 -0.587 1 O-C-N 115.213 -4.679 . . . . 63.780000000000001 112.695 -179.62 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -73.66 -26.11 60.59 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 119.159 -2.213 . . . . 65.900000000000006 111.804 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.13 -23.11 44.24 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 115.785 1.772 . . . . 57.600000000000001 115.785 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -95.33 72.66 3.27 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 124.17 1.938 . . . . 69.719999999999999 110.162 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 104' ' ' HOH . 0.0 OUTLIER -50.2 -55.53 14.83 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 119.698 -1.876 . . . . 87.780000000000001 108.89 177.234 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 55.6 m -79.74 9.39 5.2 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 115.36 1.615 . . . . 70.989999999999995 115.36 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' CYS . 1.6 mmp_? 46.5 37.21 4.14 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 117.303 -3.373 . . . . 92.359999999999999 113.902 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -105.67 8.07 32.93 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 126.173 2.892 . . . . 67.329999999999998 111.334 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.13 18.58 78.0 Favored Glycine 0 N--CA 1.427 -1.96 0 O-C-N 116.44 -3.913 . . . . 57.920000000000002 115.943 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.68 48.84 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 119.266 1.533 . . . . 65.409999999999997 110.986 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.9 t -109.39 109.09 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 112.125 -2.307 . . . . 49.280000000000001 111.595 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.28 -171.35 38.28 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.126 -0.943 . . . . 38.409999999999997 112.829 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -69.57 -44.04 71.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.944 -1.327 . . . . 38.789999999999999 112.527 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -65.8 -46.25 79.35 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 129.585 3.154 . . . . 68.170000000000002 111.293 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' PHE . 8.4 m -62.74 -45.14 94.09 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 125.617 3.826 . . . . 40.030000000000001 111.567 168.309 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 37.2 t80 -53.17 -38.61 62.94 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 114.696 -2.801 . . . . 35.770000000000003 109.709 175.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.27 -31.01 70.17 Favored 'General case' 0 N--CA 1.412 -2.342 0 O-C-N 117.823 -3.048 . . . . 35.700000000000003 114.655 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -71.31 -32.98 69.26 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.52 1.629 . . . . 50.149999999999999 108.086 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.6 -45.34 87.36 Favored 'General case' 0 N--CA 1.409 -2.518 0 O-C-N 117.309 -3.369 . . . . 32.289999999999999 109.24 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.87 -35.65 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-N 123.369 2.804 . . . . 33.530000000000001 111.903 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.39 -58.08 8.96 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 119.74 -1.85 . . . . 32.740000000000002 107.644 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.95 -55.4 1.86 Allowed Glycine 0 N--CA 1.509 3.525 0 CA-C-O 117.497 -1.724 . . . . 32.259999999999998 110.717 168.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.9 mt -70.48 -32.57 70.14 Favored 'General case' 0 C--O 1.293 3.37 1 CA-C-N 126.003 4.901 . . . . 36.130000000000003 113.511 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.8 m -71.2 -43.63 67.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 118.704 -1.198 . . . . 29.34 110.418 -172.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.7 mt -63.81 -37.01 78.59 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 CA-C-N 113.453 -1.703 . . . . 37.630000000000003 108.15 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.03 82.08 Favored 'General case' 0 C--N 1.386 2.161 0 O-C-N 117.026 -3.546 . . . . 40.659999999999997 108.451 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -62.08 -37.52 85.36 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 118.365 -1.334 . . . . 37.329999999999998 112.636 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . 0.428 ' ND2' ' NE2' ' B' ' 16' ' ' HIS . 14.4 t-20 -72.51 -38.7 68.02 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 123.693 0.797 . . . . 38.859999999999999 111.815 179.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.93 -45.81 90.72 Favored 'General case' 0 N--CA 1.535 3.792 0 N-CA-C 104.934 -2.247 . . . . 43.740000000000002 104.934 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -59.59 -46.34 89.24 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 126.217 2.913 . . . . 55.969999999999999 114.209 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.78 -45.82 92.24 Favored 'General case' 0 CA--C 1.504 -0.817 1 O-C-N 115.703 -4.373 . . . . 47.82 110.307 -178.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' O ' ' NZ ' ' A' ' 91' ' ' LYS . 9.1 t -58.57 -43.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 C-N-CA 116.424 -2.111 . . . . 48.109999999999999 113.409 -178.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.12 -46.66 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.535 0 C-N-CA 129.331 3.052 . . . . 57.039999999999999 116.476 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -107.57 -35.24 6.78 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 119.287 3.069 . . . . 61.100000000000001 119.287 -176.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . 0.826 ' SD ' ' CD1' ' D' ' 6' ' ' ILE . 29.4 mtp -98.81 -35.83 10.0 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 111.903 -3.903 . . . . 64.159999999999997 119.036 -176.575 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 87' ' ' VAL 0.273 0.0 OUTLIER . . . . . 0 C--O 1.291 3.28 1 CA-C-N 127.968 4.895 . . . . 85.079999999999998 114.472 -178.263 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.116 0 N-CA-C 109.169 -1.127 . . . . 40.600000000000001 109.169 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -89.57 179.26 6.08 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 122.123 2.238 . . . . 36.520000000000003 107.713 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.87 -41.85 99.55 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 115.348 -2.541 . . . . 54.259999999999998 111.236 170.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mmm -57.88 -43.29 85.95 Favored 'General case' 0 C--O 1.205 -1.243 0 O-C-N 116.607 -3.808 . . . . 39.109999999999999 109.621 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . 0.504 ' OE2' ' ND1' ' D' ' 4' ' ' HIS . 82.3 mt-10 -66.68 -38.19 86.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-O 115.458 -2.211 . . . . 40.200000000000003 112.765 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -67.3 -39.69 85.98 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 126.487 2.367 . . . . 30.780000000000001 108.566 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.59 87.86 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 114.926 -2.71 . . . . 33.079999999999998 113.859 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.1 mtp -72.26 -42.14 65.96 Favored 'General case' 0 N--CA 1.524 3.248 0 N-CA-C 105.933 -1.877 . . . . 35.979999999999997 105.933 -173.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' D' ' 1' ' ' SER . 22.8 tt0 -60.46 -44.61 95.68 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 116.258 -1.829 . . . . 47.840000000000003 110.212 176.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . 0.514 0.1 OUTLIER -61.11 -42.0 97.71 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 112.118 -3.801 . . . . 29.84 109.189 -176.601 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.9 mtt -66.06 -31.1 71.78 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 122.089 2.222 . . . . 44.740000000000002 112.095 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttp -73.65 -48.61 31.13 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 120.422 1.464 . . . . 47.640000000000001 109.29 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -66.44 -28.32 68.51 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 115.156 -2.354 . . . . 56.880000000000003 112.624 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.9 m -62.75 -62.16 1.92 Allowed 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 129.5 3.12 . . . . 48.710000000000001 109.051 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.51 -47.54 48.66 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 113.294 -1.776 . . . . 43.359999999999999 110.001 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 87.4 m-70 -62.46 -36.9 83.93 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 117.101 -1.84 . . . . 57.189999999999998 114.096 -176.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -58.97 -41.47 87.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.789 2.835 . . . . 73.269999999999996 109.086 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -93.63 -9.08 39.19 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 125.733 1.896 . . . . 61.890000000000001 112.769 -177.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.13 -33.44 12.65 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 118.487 -1.285 . . . . 66.819999999999993 109.944 -172.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.35 -169.61 41.76 Favored Glycine 0 N--CA 1.467 0.742 0 C-N-CA 117.9 -2.095 . . . . 72.469999999999999 112.253 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -31.24 68.14 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.826 -1.176 . . . . 87.099999999999994 107.826 -178.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -14.24 0.47 Allowed 'General case' 0 C--O 1.252 1.232 0 O-C-N 118.953 -2.342 . . . . 69.900000000000006 113.482 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 10.53 52.15 Favored Glycine 0 N--CA 1.434 -1.446 0 N-CA-C 118.874 2.31 . . . . 66.590000000000003 118.874 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -147.23 178.77 8.13 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 121.4 2.6 . . . . 71.959999999999994 106.552 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.23 143.66 51.2 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 115.318 -2.553 . . . . 64.040000000000006 112.751 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -90.77 179.36 5.81 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 119.48 -2.013 . . . . 69.900000000000006 106.472 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -27.46 68.92 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.657 1.694 . . . . 80.370000000000005 110.043 178.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.49 -24.23 67.09 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 117.94 -2.975 . . . . 80.959999999999994 110.391 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.87 -35.76 15.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.71 -1.586 . . . . 74.989999999999995 111.578 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.7 -54.55 33.71 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 117.527 -1.225 . . . . 57.840000000000003 108.344 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 mtp-105 -45.64 -53.96 8.46 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 126.112 1.765 . . . . 83.069999999999993 113.997 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.27 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 119.062 -1.055 . . . . 59.799999999999997 111.326 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -52.69 50.36 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.417 1.887 . . . . 54.609999999999999 107.063 -179.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.46 -27.41 68.48 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 112.733 -2.03 . . . . 63.890000000000001 112.653 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -77.86 -56.35 4.57 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.798 1.311 . . . . 69.540000000000006 108.318 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.88 -19.08 61.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 115.202 -2.332 . . . . 70.459999999999994 116.123 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -107.28 -18.1 13.97 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 122.72 2.509 . . . . 53.789999999999999 116.998 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -135.92 55.87 13.34 Favored Pre-proline 0 C--N 1.314 -0.96 0 C-N-CA 124.81 1.244 . . . . 62.109999999999999 110.79 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.62 -47.58 20.22 Favored 'Trans proline' 0 CA--C 1.492 -1.598 0 C-N-CA 124.284 3.322 . . . . 63.630000000000003 117.089 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 26.63 2.67 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 116.621 -2.704 . . . . 74.650000000000006 115.468 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . 0.433 ' O ' ' OG ' ' C' ' 11' ' ' SER . 48.8 t80 -122.28 -41.46 2.41 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 117.974 2.583 . . . . 70.359999999999999 117.974 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -41.69 48.74 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 118.973 -2.33 . . . . 77.650000000000006 111.092 -179.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' B' ' 43' ' ' GLU . 19.1 mp0 -63.77 -41.31 98.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 113.584 -1.644 . . . . 83.379999999999995 109.148 178.379 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -75.4 -20.74 58.74 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.186 -1.006 . . . . 90.900000000000006 109.209 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -71.13 136.74 48.33 Favored 'General case' 0 N--CA 1.499 1.982 1 N-CA-C 97.62 -4.956 . . . . 101.31999999999999 97.62 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -35.66 62.85 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 116.156 -2.218 . . . . 106.25 115.599 -173.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' B' ' 49' ' ' LEU . 7.7 t0 -62.09 144.08 94.52 Favored Pre-proline 0 C--N 1.306 -1.293 0 C-N-CA 131.149 3.78 . . . . 99.489999999999995 117.587 -175.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -87.79 -12.49 4.33 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 123.719 2.946 . . . . 91.189999999999998 114.551 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . 0.653 ' N ' ' OD1' ' B' ' 47' ' ' ASP . 7.0 mt -96.05 17.39 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.367 1.067 . . . . 84.75 112.376 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.34 -67.19 0.28 Allowed 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 128.313 2.645 . . . . 76.719999999999999 114.001 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.29 -51.64 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 C-N-CA 124.05 0.94 . . . . 74.939999999999998 112.571 -177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.95 -48.75 11.37 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 116.83 -1.557 . . . . 84.109999999999999 110.688 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 47' ' ' ASP . 5.3 mttp -67.17 -30.74 70.78 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 125.377 1.673 . . . . 83.069999999999993 112.242 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -57.81 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 116.625 -2.03 . . . . 69.519999999999996 107.652 178.8 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' MET . . . . . 0.472 ' O ' ' C ' ' B' ' 56' ' ' LYS . 6.5 tpt -53.07 -31.5 42.07 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 131.166 3.786 . . . . 71.480000000000004 114.177 177.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' B' ' 55' ' ' MET . 8.0 ttpp -51.62 -60.14 3.49 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 104.1 -2.555 . . . . 79.430000000000007 104.1 178.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -65.61 -24.97 67.18 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 116.148 1.907 . . . . 87.879999999999995 116.148 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 12.8 mt -77.17 -24.68 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 118.58 -2.575 . . . . 74.590000000000003 112.715 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' B' ' 64' ' ' GLY . 18.5 t0 -117.63 76.04 1.03 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.247 1.943 . . . . 81.469999999999999 116.247 -172.671 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.02 0.12 Allowed 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 124.989 2.328 . . . . 98.909999999999997 109.47 176.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 m -59.57 1.86 0.08 Allowed 'General case' 0 C--O 1.258 1.524 0 N-CA-C 116.962 2.208 . . . . 92.430000000000007 116.962 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 42.67 37.23 0.97 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.927 -2.983 . . . . 101.37 113.835 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -91.21 -1.23 57.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 121.03 1.741 . . . . 88.230000000000004 111.379 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' B' ' 59' ' ' ASP . . . 71.51 36.34 62.67 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 124.292 2.051 . . . . 72.620000000000005 111.283 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -137.04 135.21 37.35 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 117.456 -1.697 . . . . 85.400000000000006 108.209 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.82 116.67 52.42 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 104.759 -2.311 . . . . 56.329999999999998 104.759 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.29 175.32 29.36 Favored Glycine 0 CA--C 1.552 2.379 0 C-N-CA 117.952 -2.071 . . . . 46.939999999999998 108.349 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.17 -48.2 4.77 Favored 'General case' 0 C--O 1.265 1.913 0 N-CA-C 115.787 1.773 . . . . 46.280000000000001 115.787 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -33.23 65.69 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 123.369 1.557 . . . . 70.109999999999999 111.766 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -36.29 65.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.629 1.681 . . . . 49.700000000000003 107.046 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -54.52 -50.13 68.6 Favored 'General case' 0 N--CA 1.401 -2.916 0 O-C-N 118.438 -2.664 . . . . 45.240000000000002 110.001 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . 0.261 1.8 t80 -58.23 -35.6 71.93 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 123.573 1.654 . . . . 41.299999999999997 112.803 171.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -29.26 67.16 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 123.657 1.694 . . . . 46.439999999999998 109.232 178.405 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.3 -59.73 3.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.853 -2.404 . . . . 43.509999999999998 106.703 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 6.5 mm -52.29 -46.42 45.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-N 115.688 -0.687 . . . . 46.170000000000002 111.465 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.3 -54.26 38.94 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-O 123.488 1.613 . . . . 39.450000000000003 110.784 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.73 -43.19 91.8 Favored Glycine 0 C--O 1.262 1.852 0 O-C-N 118.851 -2.406 . . . . 42.780000000000001 112.096 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -41.63 92.03 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 116.08 -2.248 . . . . 42.340000000000003 114.506 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -63.57 -40.37 96.79 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 114.355 1.243 . . . . 41.549999999999997 114.355 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -72.38 -34.62 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 116.423 -1.751 . . . . 48.409999999999997 107.897 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.66 68.14 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.553 1.07 . . . . 41.590000000000003 108.933 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' C' ' 7' ' ' LEU . 78.4 m -55.75 -37.35 68.38 Favored 'General case' 0 N--CA 1.428 -1.544 0 O-C-N 120.4 -1.437 . . . . 45.289999999999999 111.063 175.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . 0.487 ' ND2' ' NE2' ' A' ' 16' ' ' HIS . 9.5 t-20 -69.9 -41.12 75.13 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 116.2 -2.2 . . . . 45.390000000000001 108.362 -174.701 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -53.56 -49.5 67.54 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.2 -1.364 . . . . 68.569999999999993 111.482 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -63.97 -38.04 89.63 Favored 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.208 1.803 . . . . 77.900000000000006 113.208 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.96 -41.79 86.3 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 121.149 -0.969 . . . . 61.18 111.747 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 -34.57 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 119.473 -0.891 . . . . 65.700000000000003 112.714 -172.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 t -79.9 -51.15 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 124.65 1.18 . . . . 71.060000000000002 113.45 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -93.33 -28.15 16.36 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 114.749 1.389 . . . . 75.489999999999995 114.749 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' MET . . . . . 0.499 ' O ' ' C ' ' B' ' 91' ' ' LYS . 83.8 mtp -120.77 -40.39 2.65 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 117.732 2.493 . . . . 75.950000000000003 117.732 -176.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' B' ' 90' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.437 0 CA-C-N 121.355 1.889 . . . . 93.859999999999999 110.052 -175.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 43.840000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p -72.36 -36.43 68.75 Favored 'General case' 0 N--CA 1.403 -2.803 1 O-C-N 135.07 7.732 . . . . 49.710000000000001 103.684 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 100' ' ' HOH 0.426 0.5 OUTLIER -81.32 -32.68 32.94 Favored 'General case' 1 C--O 1.417 9.889 1 CA-C-O 133.393 6.33 . . . . 39.539999999999999 113.732 173.037 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.87 -35.48 54.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 1 O-C-N 103.978 -11.701 . . . . 34.560000000000002 108.835 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -58.12 -47.87 81.97 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.357 -0.838 . . . . 49.479999999999997 110.067 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.53 -39.95 80.97 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.92 -1.738 . . . . 61.729999999999997 111.147 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.81 -41.1 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 114.763 -2.775 . . . . 44.560000000000002 107.942 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LEU . . . . . 0.592 ' CD2' ' SG ' ' B' ' 82' ' ' CYS 0.27 62.2 mt -53.68 -37.7 63.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 116.349 -2.14 . . . . 52.520000000000003 112.807 -178.965 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -61.5 -31.84 71.84 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 116.932 -1.509 . . . . 67.969999999999999 112.662 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -80.84 -4.96 56.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 121.883 2.129 . . . . 86.730000000000004 111.749 174.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -105.19 -10.46 17.08 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 104.87 -2.27 . . . . 86.840000000000003 104.87 178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 41' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.177 0 O-C-N 126.347 2.28 . . . . 95.069999999999993 114.172 177.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.649 . . . . . . . . 52.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' SER . . . . . 0.499 ' N ' ' OE1' ' B' ' 9' ' ' GLU . 9.9 t -105.59 -32.49 8.45 Favored 'General case' 0 CA--C 1.588 2.418 1 N-CA-C 99.975 -4.083 . . . . 60.039999999999999 99.975 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -89.09 -17.05 30.06 Favored 'General case' 0 N--CA 1.405 -2.725 0 CA-C-N 112.372 -2.194 . . . . 53.380000000000003 108.285 177.347 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 1.8 t -81.88 -30.83 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 104.0 -2.592 . . . . 43.969999999999999 104.0 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' HIS . . . . . 0.504 ' ND1' ' OE2' ' B' ' 5' ' ' GLU . 76.6 t60 -69.06 -40.72 78.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 116.335 -1.793 . . . . 46.0 110.692 -177.179 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' GLU . . . . . 1.489 ' CA ' ' N ' ' D' ' 5' ' ' GLU 1.041 16.7 tp10 -38.42 -82.02 0.01 OUTLIER 'General case' 1 N--CA 1.731 13.588 2 C-N-CA 141.574 7.95 . . . . 74.150000000000006 95.875 166.875 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . 0.826 ' CD1' ' SD ' ' A' ' 90' ' ' MET . 0.8 OUTLIER -50.23 -51.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.893 -2.412 . . . . 46.049999999999997 110.242 -166.533 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.08 -24.05 64.29 Favored 'General case' 0 N--CA 1.424 -1.73 1 O-C-N 116.246 -4.034 . . . . 48.210000000000001 112.961 -169.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -32.33 55.56 Favored 'General case' 0 C--N 1.273 -2.739 1 C-N-CA 132.06 4.144 . . . . 55.75 112.613 179.423 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . 0.28 38.3 mmtt -86.72 0.66 54.26 Favored 'General case' 0 N--CA 1.428 -1.566 0 C-N-CA 127.414 2.286 . . . . 66.230000000000004 110.518 172.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 76.8 mt -103.99 -14.43 15.96 Favored 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 103.274 -2.862 . . . . 59.020000000000003 103.274 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.404 -2.738 1 C-N-CA 132.82 4.448 . . . . 71.25 110.683 177.799 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . 0.591 ' O ' ' CG2' ' C' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 1 N--CA 1.537 4.067 0 CA-C-O 117.2 -1.25 . . . . 35.75 109.873 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -78.03 159.07 28.97 Favored 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 112.819 -3.552 . . . . 39.34 110.722 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -42.74 -46.12 5.02 Favored 'General case' 0 C--N 1.294 -1.84 1 C-N-CA 132.726 4.41 . . . . 54.42 112.452 167.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 8' ' ' MET . 45.2 mmm -62.07 -51.31 68.45 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 123.264 1.506 . . . . 42.34 110.921 175.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.79 -36.2 74.05 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 118.786 -2.446 . . . . 41.15 110.443 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.45 -38.73 88.01 Favored 'General case' 0 C--O 1.182 -2.448 0 CA-C-O 123.208 1.48 . . . . 50.83 110.408 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.47 92.97 Favored 'General case' 0 C--O 1.276 2.47 1 O-C-N 114.443 -5.161 . . . . 29.08 110.341 178.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 4' ' ' MET . 5.8 mtp -66.84 -33.09 74.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 126.23 2.919 . . . . 39.39 114.916 -178.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.37 -47.75 59.48 Favored 'General case' 0 C--N 1.378 1.831 0 O-C-N 119.527 -1.983 . . . . 33.55 105.961 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.55 0.6 OUTLIER -55.75 -36.16 66.99 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 117.056 -1.858 . . . . 36.69 113.733 -179.265 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -70.69 -47.26 60.78 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.454 -2.654 . . . . 43.4 112.082 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttp -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.251 -1.388 . . . . 51.73 107.251 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -68.35 -33.76 74.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.545 -2.597 . . . . 57.72 111.967 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.8 m -55.99 -42.3 76.13 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-N 120.696 1.589 . . . . 44.3 108.973 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.02 -50.58 72.92 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 117.662 -3.149 . . . . 40.09 111.858 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -65.36 -35.65 81.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 127.649 2.38 . . . . 44.2 108.682 -169.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -66.9 -33.79 76.36 Favored 'General case' 0 C--O 1.254 1.331 0 O-C-N 120.683 -1.26 . . . . 55.15 111.87 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.88 -22.0 17.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 117.24 -3.413 . . . . 52.83 107.082 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.0 -17.46 50.23 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.483 -3.261 . . . . 51.01 116.224 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.23 -161.28 8.68 Favored Glycine 0 N--CA 1.473 1.164 0 O-C-N 118.388 -2.695 . . . . 57.27 114.727 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -62.54 -36.34 82.31 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 116.934 -1.507 . . . . 75.28 112.521 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -27.66 4.95 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.392 1.627 . . . . 64.95 115.392 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.54 7.11 88.6 Favored Glycine 0 CA--C 1.498 -0.974 0 O-C-N 119.037 -2.289 . . . . 60.87 118.175 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' LYS . 19.2 p90 -144.78 161.06 40.2 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 118.884 -1.126 . . . . 68.48 108.152 179.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.57 153.74 19.47 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 127.135 3.35 . . . . 49.24 107.834 174.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 55.8 p -110.27 178.9 4.25 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 101.695 -3.446 . . . . 47.61 101.695 176.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.46 -43.69 88.98 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 125.839 2.733 . . . . 70.78 111.616 176.772 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG2' ' OG1' ' A' ' 26' ' ' THR . 4.0 pm0 -65.64 -42.41 91.48 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 118.554 -2.591 . . . . 71.98 111.853 -176.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.52 -34.39 78.12 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 114.837 -2.506 . . . . 58.99 108.849 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.86 -43.46 92.91 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 126.089 2.852 . . . . 48.26 112.525 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 51' ' ' VAL . 20.0 ttm-85 -67.8 -40.45 83.89 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-O 115.364 -2.255 . . . . 67.96 108.048 177.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . 0.257 1.7 t -69.59 -40.7 79.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 115.755 -2.378 . . . . 45.26 108.949 -179.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -58.21 -43.32 87.59 Favored 'General case' 0 C--O 1.271 2.207 0 O-C-N 126.969 2.668 . . . . 42.77 109.265 176.031 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . 0.524 ' O ' ' O ' ' A' ' 37' ' ' GLU . 4.4 mtp -71.11 -35.32 71.75 Favored 'General case' 0 CA--C 1.49 -1.339 0 O-C-N 118.291 -2.756 . . . . 57.77 111.582 175.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 117.331 -3.355 . . . . 66.07 109.759 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -76.53 -38.18 55.53 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 118.745 -2.472 . . . . 67.63 112.857 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' A' ' 34' ' ' MET . 80.8 mm-40 -96.43 142.4 28.58 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-O 113.878 -2.963 . . . . 49.57 104.274 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' SD ' ' B' ' 8' ' ' MET . 0.4 OUTLIER 62.17 44.85 0.7 Allowed Pre-proline 0 N--CA 1.51 2.562 2 CA-C-N 134.586 7.903 . . . . 51.63 117.049 -179.436 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.76 -6.55 15.28 Favored 'Trans proline' 0 C--O 1.261 1.628 0 O-C-N 116.063 -2.651 . . . . 57.81 113.629 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.43 -9.87 58.65 Favored Glycine 0 C--O 1.251 1.217 0 CA-C-O 125.851 2.917 . . . . 57.4 110.586 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' O ' ' OG ' ' D' ' 11' ' ' SER . 86.4 t80 -86.68 -60.32 2.02 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-N 113.059 -1.57 . . . . 53.36 113.469 -176.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 122.717 1.246 . . . . 60.22 112.721 -176.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -40.43 -32.56 0.2 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.554 2.342 . . . . 76.28 113.175 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -80.83 -9.34 59.83 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 121.91 2.141 . . . . 86.83 112.464 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . 0.567 ' HG2' ' OG ' ' D' ' 11' ' ' SER . 12.9 mm100 -76.82 152.36 35.55 Favored 'General case' 0 C--O 1.276 2.459 1 N-CA-C 96.974 -5.195 . . . . 78.83 96.974 171.922 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.328 1.7 mptt -98.55 -5.41 32.14 Favored 'General case' 0 N--CA 1.518 2.928 2 CA-C-N 128.08 4.946 . . . . 83.9 110.621 -178.942 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.12 111.33 11.16 Favored Pre-proline 0 N--CA 1.413 -2.305 0 C-N-CA 131.245 3.818 . . . . 68.53 117.475 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.66 -2.69 12.54 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.633 2.888 . . . . 61.52 113.384 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -100.83 -6.27 25.04 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 126.193 1.797 . . . . 46.84 111.356 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.79 -52.92 2.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.684 2.659 . . . . 45.58 116.379 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 31' ' ' ARG . 98.5 t -52.79 -52.6 26.5 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 0 O-C-N 116.934 -3.603 . . . . 44.62 110.994 173.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.36 -39.17 72.45 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 120.602 -1.311 . . . . 53.34 113.74 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -32.91 65.65 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.178 -0.465 . . . . 48.69 110.509 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -65.8 -53.84 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 105.788 -1.93 . . . . 44.01 105.788 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . 0.48 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 16.8 tpt -47.58 -35.54 9.27 Favored 'General case' 0 C--O 1.238 0.46 1 CA-C-O 128.967 4.222 . . . . 51.42 114.735 177.69 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -43.86 85.51 Favored 'General case' 0 N--CA 1.447 -0.587 1 O-C-N 115.213 -4.679 . . . . 63.78 112.695 -179.62 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -73.66 -26.11 60.59 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 119.159 -2.213 . . . . 65.9 111.804 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.13 -23.11 44.24 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 115.785 1.772 . . . . 57.6 115.785 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -95.33 72.66 3.27 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 124.17 1.938 . . . . 69.72 110.162 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 104' ' ' HOH . 0.0 OUTLIER -50.2 -55.53 14.83 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 119.698 -1.876 . . . . 87.78 108.89 177.234 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 55.6 m -79.74 9.39 5.2 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 115.36 1.615 . . . . 70.99 115.36 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' CYS . 1.6 mmp_? 46.5 37.21 4.14 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 117.303 -3.373 . . . . 92.36 113.902 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -105.67 8.07 32.93 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 126.173 2.892 . . . . 67.33 111.334 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.13 18.58 78.0 Favored Glycine 0 N--CA 1.427 -1.96 0 O-C-N 116.44 -3.913 . . . . 57.92 115.943 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.89 136.68 48.84 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 119.266 1.533 . . . . 65.41 110.986 -179.914 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 70' ' ' SER . 74.9 t -109.39 109.09 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 112.125 -2.307 . . . . 49.28 111.595 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.28 -171.35 38.28 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.126 -0.943 . . . . 38.41 112.829 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -69.57 -44.04 71.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.944 -1.327 . . . . 38.79 112.527 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -65.8 -46.25 79.35 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 129.585 3.154 . . . . 68.17 111.293 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' PHE . 8.4 m -62.74 -45.14 94.09 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 125.617 3.826 . . . . 40.03 111.567 168.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 37.2 t80 -53.17 -38.61 62.94 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 114.696 -2.801 . . . . 35.77 109.709 175.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.27 -31.01 70.17 Favored 'General case' 0 N--CA 1.412 -2.342 0 O-C-N 117.823 -3.048 . . . . 35.7 114.655 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -71.31 -32.98 69.26 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.52 1.629 . . . . 50.15 108.086 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.6 -45.34 87.36 Favored 'General case' 0 N--CA 1.409 -2.518 0 O-C-N 117.309 -3.369 . . . . 32.29 109.24 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.87 -35.65 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-N 123.369 2.804 . . . . 33.53 111.903 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.39 -58.08 8.96 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 119.74 -1.85 . . . . 32.74 107.644 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.95 -55.4 1.86 Allowed Glycine 0 N--CA 1.509 3.525 0 CA-C-O 117.497 -1.724 . . . . 32.26 110.717 168.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.9 mt -70.48 -32.57 70.14 Favored 'General case' 0 C--O 1.293 3.37 1 CA-C-N 126.003 4.901 . . . . 36.13 113.511 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.8 m -71.2 -43.63 67.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 118.704 -1.198 . . . . 29.34 110.418 -172.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.7 mt -63.81 -37.01 78.59 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 CA-C-N 113.453 -1.703 . . . . 37.63 108.15 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.03 82.08 Favored 'General case' 0 C--N 1.386 2.161 0 O-C-N 117.026 -3.546 . . . . 40.66 108.451 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -62.08 -37.52 85.36 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 118.365 -1.334 . . . . 37.33 112.636 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -72.51 -38.7 68.02 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 123.693 0.797 . . . . 38.86 111.815 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.93 -45.81 90.72 Favored 'General case' 0 N--CA 1.535 3.792 0 N-CA-C 104.934 -2.247 . . . . 43.74 104.934 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -59.59 -46.34 89.24 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 126.217 2.913 . . . . 55.97 114.209 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.78 -45.82 92.24 Favored 'General case' 0 CA--C 1.504 -0.817 1 O-C-N 115.703 -4.373 . . . . 47.82 110.307 -178.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.1 t -58.57 -43.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 C-N-CA 116.424 -2.111 . . . . 48.11 113.409 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.12 -46.66 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.535 0 C-N-CA 129.331 3.052 . . . . 57.04 116.476 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -107.57 -35.24 6.78 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 119.287 3.069 . . . . 61.1 119.287 -176.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . 0.826 ' SD ' ' CD1' ' D' ' 6' ' ' ILE . 29.4 mtp -98.81 -35.83 10.0 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 111.903 -3.903 . . . . 64.16 119.036 -176.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 91' ' ' LYS 0.273 0.0 OUTLIER . . . . . 0 C--O 1.291 3.28 1 CA-C-N 127.968 4.895 . . . . 85.08 114.472 -178.263 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PRO . . . . . 0.47 ' HA ' ' OE1' ' B' ' 5' ' ' GLU . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.116 0 N-CA-C 109.169 -1.127 . . . . 40.6 109.169 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . 0.502 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . 95.0 p -89.57 179.26 6.08 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 122.123 2.238 . . . . 36.52 107.713 -177.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.87 -41.85 99.55 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 115.348 -2.541 . . . . 54.26 111.236 170.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mmm -57.88 -43.29 85.95 Favored 'General case' 0 C--O 1.205 -1.243 0 O-C-N 116.607 -3.808 . . . . 39.11 109.621 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 1' ' ' PRO . 82.3 mt-10 -66.68 -38.19 86.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-O 115.458 -2.211 . . . . 40.2 112.765 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -67.3 -39.69 85.98 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 126.487 2.367 . . . . 30.78 108.566 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 11' ' ' MET . . . -63.47 -37.59 87.86 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 114.926 -2.71 . . . . 33.08 113.859 178.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' MET . . . . . 0.422 ' SD ' ' HE1' ' A' ' 38' ' ' PHE . 66.1 mtp -72.26 -42.14 65.96 Favored 'General case' 0 N--CA 1.524 3.248 0 N-CA-C 105.933 -1.877 . . . . 35.98 105.933 -173.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' D' ' 1' ' ' SER . 22.8 tt0 -60.46 -44.61 95.68 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 116.258 -1.829 . . . . 47.84 110.212 176.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . 0.514 0.1 OUTLIER -61.11 -42.0 97.71 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 112.118 -3.801 . . . . 29.84 109.189 -176.601 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' B' ' 7' ' ' ALA . 4.9 mtt -66.06 -31.1 71.78 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 122.089 2.222 . . . . 44.74 112.095 178.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttp -73.65 -48.61 31.13 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 120.422 1.464 . . . . 47.64 109.29 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -66.44 -28.32 68.51 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 115.156 -2.354 . . . . 56.88 112.624 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.9 m -62.75 -62.16 1.92 Allowed 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 129.5 3.12 . . . . 48.71 109.051 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.51 -47.54 48.66 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 113.294 -1.776 . . . . 43.36 110.001 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -62.46 -36.9 83.93 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 117.101 -1.84 . . . . 57.19 114.096 -176.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -58.97 -41.47 87.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.789 2.835 . . . . 73.27 109.086 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PHE . . . . . 0.643 ' CD2' HD22 ' B' ' 33' ' ' LEU . 86.3 m-85 -93.63 -9.08 39.19 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 125.733 1.896 . . . . 61.89 112.769 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . 0.481 ' O ' ' HE3' ' B' ' 22' ' ' LYS . . . -95.13 -33.44 12.65 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 118.487 -1.285 . . . . 66.82 109.944 -172.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.35 -169.61 41.76 Favored Glycine 0 N--CA 1.467 0.742 0 C-N-CA 117.9 -2.095 . . . . 72.47 112.253 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -31.24 68.14 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.826 -1.176 . . . . 87.1 107.826 -178.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -52.52 -14.24 0.47 Allowed 'General case' 0 C--O 1.252 1.232 0 O-C-N 118.953 -2.342 . . . . 69.9 113.482 177.339 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 10.53 52.15 Favored Glycine 0 N--CA 1.434 -1.446 0 N-CA-C 118.874 2.31 . . . . 66.59 118.874 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' B' ' 65' ' ' LYS . 49.1 p90 -147.23 178.77 8.13 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 121.4 2.6 . . . . 71.96 106.552 178.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' B' ' 29' ' ' ASP . 4.2 pp -127.23 143.66 51.2 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 115.318 -2.553 . . . . 64.04 112.751 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' THR . . . . . 0.422 HG22 ' H ' ' B' ' 27' ' ' LYS . 1.9 m -90.77 179.36 5.81 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 119.48 -2.013 . . . . 69.9 106.472 178.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' H ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -64.72 -27.46 68.92 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.657 1.694 . . . . 80.37 110.043 178.831 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.49 -24.23 67.09 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 117.94 -2.975 . . . . 80.96 110.391 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' B' ' 25' ' ' LEU . 1.6 m-20 -89.87 -35.76 15.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.71 -1.586 . . . . 74.99 111.578 179.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' B' ' 33' ' ' LEU . 40.7 tp -63.7 -54.55 33.71 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 117.527 -1.225 . . . . 57.84 108.344 -179.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ARG . . . . . 0.818 ' HG2' HG21 ' B' ' 51' ' ' VAL . 4.5 mtp-105 -45.64 -53.96 8.46 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 126.112 1.765 . . . . 83.07 113.997 175.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.27 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 119.062 -1.055 . . . . 59.8 111.326 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' PHE . 0.2 OUTLIER -52.16 -52.69 50.36 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.417 1.887 . . . . 54.61 107.063 -179.127 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' MET . . . . . 0.736 ' HE1' HD13 ' B' ' 54' ' ' ILE . 5.3 mmm -65.46 -27.41 68.48 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 112.733 -2.03 . . . . 63.89 112.653 -178.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -77.86 -56.35 4.57 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.798 1.311 . . . . 69.54 108.318 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.88 -19.08 61.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 115.202 -2.332 . . . . 70.46 116.123 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -107.28 -18.1 13.97 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 122.72 2.509 . . . . 53.79 116.998 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -135.92 55.87 13.34 Favored Pre-proline 0 C--N 1.314 -0.96 0 C-N-CA 124.81 1.244 . . . . 62.11 110.79 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.62 -47.58 20.22 Favored 'Trans proline' 0 CA--C 1.492 -1.598 0 C-N-CA 124.284 3.322 . . . . 63.63 117.089 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 26.63 2.67 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 116.621 -2.704 . . . . 74.65 115.468 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' B' ' 42' ' ' LEU . 48.8 t80 -122.28 -41.46 2.41 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 117.974 2.583 . . . . 70.36 117.974 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -76.19 -41.69 48.74 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 118.973 -2.33 . . . . 77.65 111.092 -179.011 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 100' ' ' HOH . 19.1 mp0 -63.77 -41.31 98.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 113.584 -1.644 . . . . 83.38 109.148 178.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -75.4 -20.74 58.74 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.186 -1.006 . . . . 90.9 109.209 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLN . . . . . 0.671 ' OE1' ' HA ' ' C' ' 11' ' ' SER . 14.5 mm100 -71.13 136.74 48.33 Favored 'General case' 0 N--CA 1.499 1.982 1 N-CA-C 97.62 -4.956 . . . . 101.32 97.62 174.746 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -74.65 -35.66 62.85 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 116.156 -2.218 . . . . 106.25 115.599 -173.922 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' B' ' 49' ' ' LEU . 7.7 t0 -62.09 144.08 94.52 Favored Pre-proline 0 C--N 1.306 -1.293 0 C-N-CA 131.149 3.78 . . . . 99.49 117.587 -175.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -87.79 -12.49 4.33 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 123.719 2.946 . . . . 91.19 114.551 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . 0.569 ' N ' ' OD1' ' B' ' 47' ' ' ASP . 7.0 mt -96.05 17.39 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.367 1.067 . . . . 84.75 112.376 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.34 -67.19 0.28 Allowed 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 128.313 2.645 . . . . 76.72 114.001 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . 0.818 HG21 ' HG2' ' B' ' 31' ' ' ARG . 3.1 t -62.29 -51.64 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 C-N-CA 124.05 0.94 . . . . 74.94 112.571 -177.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.95 -48.75 11.37 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 116.83 -1.557 . . . . 84.11 110.688 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -67.17 -30.74 70.78 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 125.377 1.673 . . . . 83.07 112.242 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . 0.736 HD13 ' HE1' ' B' ' 34' ' ' MET . 0.4 OUTLIER -61.86 -57.81 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 116.625 -2.03 . . . . 69.52 107.652 178.8 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' MET . . . . . 0.472 ' O ' ' C ' ' B' ' 56' ' ' LYS . 6.5 tpt -53.07 -31.5 42.07 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 131.166 3.786 . . . . 71.48 114.177 177.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' B' ' 55' ' ' MET . 8.0 ttpp -51.62 -60.14 3.49 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 104.1 -2.555 . . . . 79.43 104.1 178.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -65.61 -24.97 67.18 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 116.148 1.907 . . . . 87.88 116.148 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 12.8 mt -77.17 -24.68 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 118.58 -2.575 . . . . 74.59 112.715 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.63 76.04 1.03 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.247 1.943 . . . . 81.47 116.247 -172.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.02 0.12 Allowed 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 124.989 2.328 . . . . 98.91 109.47 176.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 m -59.57 1.86 0.08 Allowed 'General case' 0 C--O 1.258 1.524 0 N-CA-C 116.962 2.208 . . . . 92.43 116.962 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 42.67 37.23 0.97 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.927 -2.983 . . . . 101.37 113.835 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -91.21 -1.23 57.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 121.03 1.741 . . . . 88.23 111.379 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.51 36.34 62.67 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 124.292 2.051 . . . . 72.62 111.283 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . 0.608 ' HG2' ' CD2' ' B' ' 24' ' ' TYR . 9.4 mttm -137.04 135.21 37.35 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 117.456 -1.697 . . . . 85.4 108.209 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.82 116.67 52.42 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 104.759 -2.311 . . . . 56.33 104.759 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.29 175.32 29.36 Favored Glycine 0 CA--C 1.552 2.379 0 C-N-CA 117.952 -2.071 . . . . 46.94 108.349 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.17 -48.2 4.77 Favored 'General case' 0 C--O 1.265 1.913 0 N-CA-C 115.787 1.773 . . . . 46.28 115.787 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -72.98 -33.23 65.69 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 123.369 1.557 . . . . 70.11 111.766 -169.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -36.29 65.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.629 1.681 . . . . 49.7 107.046 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -54.52 -50.13 68.6 Favored 'General case' 0 N--CA 1.401 -2.916 0 O-C-N 118.438 -2.664 . . . . 45.24 110.001 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . 0.261 1.8 t80 -58.23 -35.6 71.93 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 123.573 1.654 . . . . 41.3 112.803 171.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -29.26 67.16 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 123.657 1.694 . . . . 46.44 109.232 178.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.3 -59.73 3.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.853 -2.404 . . . . 43.51 106.703 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 6.5 mm -52.29 -46.42 45.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-N 115.688 -0.687 . . . . 46.17 111.465 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.3 -54.26 38.94 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-O 123.488 1.613 . . . . 39.45 110.784 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.73 -43.19 91.8 Favored Glycine 0 C--O 1.262 1.852 0 O-C-N 118.851 -2.406 . . . . 42.78 112.096 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -41.63 92.03 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 116.08 -2.248 . . . . 42.34 114.506 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -63.57 -40.37 96.79 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 114.355 1.243 . . . . 41.55 114.355 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -72.38 -34.62 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 116.423 -1.751 . . . . 48.41 107.897 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.66 68.14 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.553 1.07 . . . . 41.59 108.933 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' CYS . . . . . 0.601 ' SG ' HD21 ' C' ' 7' ' ' LEU . 78.4 m -55.75 -37.35 68.38 Favored 'General case' 0 N--CA 1.428 -1.544 0 O-C-N 120.4 -1.437 . . . . 45.29 111.063 175.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -69.9 -41.12 75.13 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 116.2 -2.2 . . . . 45.39 108.362 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -53.56 -49.5 67.54 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.2 -1.364 . . . . 68.57 111.482 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -63.97 -38.04 89.63 Favored 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.208 1.803 . . . . 77.9 113.208 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.96 -41.79 86.3 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 121.149 -0.969 . . . . 61.18 111.747 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' VAL . . . . . 0.444 HG13 ' CE ' ' B' ' 91' ' ' LYS . 5.5 t -69.97 -34.57 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 119.473 -0.891 . . . . 65.7 112.714 -172.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 t -79.9 -51.15 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 124.65 1.18 . . . . 71.06 113.45 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -93.33 -28.15 16.36 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 114.749 1.389 . . . . 75.49 114.749 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' MET . . . . . 0.499 ' O ' ' C ' ' B' ' 91' ' ' LYS . 83.8 mtp -120.77 -40.39 2.65 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 117.732 2.493 . . . . 75.95 117.732 -176.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' B' ' 90' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.437 0 CA-C-N 121.355 1.889 . . . . 93.86 110.052 -175.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 43.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p -72.36 -36.43 68.75 Favored 'General case' 0 N--CA 1.403 -2.803 1 O-C-N 135.07 7.732 . . . . 49.71 103.684 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 100' ' ' HOH 0.426 0.5 OUTLIER -81.32 -32.68 32.94 Favored 'General case' 1 C--O 1.417 9.889 1 CA-C-O 133.393 6.33 . . . . 39.54 113.732 173.037 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.87 -35.48 54.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 1 O-C-N 103.978 -11.701 . . . . 34.56 108.835 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -58.12 -47.87 81.97 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.357 -0.838 . . . . 49.48 110.067 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.53 -39.95 80.97 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.92 -1.738 . . . . 61.73 111.147 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 2' ' ' THR . 15.6 mt -67.81 -41.1 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 114.763 -2.775 . . . . 44.56 107.942 177.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LEU . . . . . 0.601 HD21 ' SG ' ' B' ' 82' ' ' CYS 0.27 62.2 mt -53.68 -37.7 63.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 116.349 -2.14 . . . . 52.52 112.807 -178.965 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -61.5 -31.84 71.84 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 116.932 -1.509 . . . . 67.97 112.662 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -80.84 -4.96 56.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 121.883 2.129 . . . . 86.73 111.749 174.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -105.19 -10.46 17.08 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 104.87 -2.27 . . . . 86.84 104.87 178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' SER . . . . . 0.671 ' HA ' ' OE1' ' B' ' 45' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.177 0 O-C-N 126.347 2.28 . . . . 95.07 114.172 177.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.649 . . . . . . . . 52.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' SER . . . . . 0.492 ' N ' ' OE1' ' B' ' 9' ' ' GLU . 9.9 t -105.59 -32.49 8.45 Favored 'General case' 0 CA--C 1.588 2.418 1 N-CA-C 99.975 -4.083 . . . . 60.04 99.975 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -89.09 -17.05 30.06 Favored 'General case' 0 N--CA 1.405 -2.725 0 CA-C-N 112.372 -2.194 . . . . 53.38 108.285 177.347 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 1.8 t -81.88 -30.83 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 104.0 -2.592 . . . . 43.97 104.0 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' HIS . . . . . 0.458 ' HD1' ' CD ' ' B' ' 5' ' ' GLU . 76.6 t60 -69.06 -40.72 78.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 116.335 -1.793 . . . . 46.0 110.692 -177.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' GLU . . . . . 1.489 ' N ' ' CA ' ' D' ' 5' ' ' GLU 1.041 16.7 tp10 -38.42 -82.02 0.01 OUTLIER 'General case' 1 N--CA 1.731 13.588 2 C-N-CA 141.574 7.95 . . . . 74.15 95.875 166.875 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . 0.826 ' CD1' ' SD ' ' A' ' 90' ' ' MET . 0.8 OUTLIER -50.23 -51.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.893 -2.412 . . . . 46.05 110.242 -166.533 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.08 -24.05 64.29 Favored 'General case' 0 N--CA 1.424 -1.73 1 O-C-N 116.246 -4.034 . . . . 48.21 112.961 -169.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -32.33 55.56 Favored 'General case' 0 C--N 1.273 -2.739 1 C-N-CA 132.06 4.144 . . . . 55.75 112.613 179.423 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . 0.28 38.3 mmtt -86.72 0.66 54.26 Favored 'General case' 0 N--CA 1.428 -1.566 0 C-N-CA 127.414 2.286 . . . . 66.23 110.518 172.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 76.8 mt -103.99 -14.43 15.96 Favored 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 103.274 -2.862 . . . . 59.02 103.274 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' SER . . . . . 0.567 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.404 -2.738 1 C-N-CA 132.82 4.448 . . . . 71.25 110.683 177.799 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . 0.591 ' O ' ' CG2' ' C' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 1 N--CA 1.537 4.067 0 CA-C-O 117.2 -1.25 . . . . 35.75 109.873 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -78.03 159.07 28.97 Favored 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 112.819 -3.552 . . . . 39.34 110.722 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -42.74 -46.12 5.02 Favored 'General case' 0 C--N 1.294 -1.84 1 C-N-CA 132.726 4.41 . . . . 54.42 112.452 167.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 8' ' ' MET . 45.2 mmm -62.07 -51.31 68.45 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 123.264 1.506 . . . . 42.34 110.921 175.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.79 -36.2 74.05 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 118.786 -2.446 . . . . 41.15 110.443 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.45 -38.73 88.01 Favored 'General case' 0 C--O 1.182 -2.448 0 CA-C-O 123.208 1.48 . . . . 50.83 110.408 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.47 92.97 Favored 'General case' 0 C--O 1.276 2.47 1 O-C-N 114.443 -5.161 . . . . 29.08 110.341 178.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 4' ' ' MET . 5.8 mtp -66.84 -33.09 74.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 126.23 2.919 . . . . 39.39 114.916 -178.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.37 -47.75 59.48 Favored 'General case' 0 C--N 1.378 1.831 0 O-C-N 119.527 -1.983 . . . . 33.55 105.961 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.55 0.6 OUTLIER -55.75 -36.16 66.99 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 117.056 -1.858 . . . . 36.69 113.733 -179.265 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -70.69 -47.26 60.78 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.454 -2.654 . . . . 43.4 112.082 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttp -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.251 -1.388 . . . . 51.73 107.251 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -68.35 -33.76 74.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.545 -2.597 . . . . 57.72 111.967 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.8 m -55.99 -42.3 76.13 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-N 120.696 1.589 . . . . 44.3 108.973 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.02 -50.58 72.92 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 117.662 -3.149 . . . . 40.09 111.858 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 69.0 m-70 -65.36 -35.65 81.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 127.649 2.38 . . . . 44.2 108.682 -169.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -66.9 -33.79 76.36 Favored 'General case' 0 C--O 1.254 1.331 0 O-C-N 120.683 -1.26 . . . . 55.15 111.87 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.88 -22.0 17.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 117.24 -3.413 . . . . 52.83 107.082 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.0 -17.46 50.23 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.483 -3.261 . . . . 51.01 116.224 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.23 -161.28 8.68 Favored Glycine 0 N--CA 1.473 1.164 0 O-C-N 118.388 -2.695 . . . . 57.27 114.727 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -62.54 -36.34 82.31 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 116.934 -1.507 . . . . 75.28 112.521 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -27.66 4.95 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.392 1.627 . . . . 64.95 115.392 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.54 7.11 88.6 Favored Glycine 0 CA--C 1.498 -0.974 0 O-C-N 119.037 -2.289 . . . . 60.87 118.175 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' LYS . 19.2 p90 -144.78 161.06 40.2 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 118.884 -1.126 . . . . 68.48 108.152 179.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.57 153.74 19.47 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 127.135 3.35 . . . . 49.24 107.834 174.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 55.8 p -110.27 178.9 4.25 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 101.695 -3.446 . . . . 47.61 101.695 176.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.46 -43.69 88.98 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 125.839 2.733 . . . . 70.78 111.616 176.772 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG2' ' OG1' ' A' ' 26' ' ' THR . 4.0 pm0 -65.64 -42.41 91.48 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 118.554 -2.591 . . . . 71.98 111.853 -176.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.52 -34.39 78.12 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 114.837 -2.506 . . . . 58.99 108.849 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.86 -43.46 92.91 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 126.089 2.852 . . . . 48.26 112.525 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 51' ' ' VAL . 20.0 ttm-85 -67.8 -40.45 83.89 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-O 115.364 -2.255 . . . . 67.96 108.048 177.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . 0.257 1.7 t -69.59 -40.7 79.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 115.755 -2.378 . . . . 45.26 108.949 -179.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -58.21 -43.32 87.59 Favored 'General case' 0 C--O 1.271 2.207 0 O-C-N 126.969 2.668 . . . . 42.77 109.265 176.031 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . 0.524 ' O ' ' O ' ' A' ' 37' ' ' GLU . 4.4 mtp -71.11 -35.32 71.75 Favored 'General case' 0 CA--C 1.49 -1.339 0 O-C-N 118.291 -2.756 . . . . 57.77 111.582 175.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 117.331 -3.355 . . . . 66.07 109.759 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -76.53 -38.18 55.53 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 118.745 -2.472 . . . . 67.63 112.857 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' O ' ' O ' ' A' ' 34' ' ' MET . 80.8 mm-40 -96.43 142.4 28.58 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-O 113.878 -2.963 . . . . 49.57 104.274 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' SD ' ' B' ' 8' ' ' MET . 0.4 OUTLIER 62.17 44.85 0.7 Allowed Pre-proline 0 N--CA 1.51 2.562 2 CA-C-N 134.586 7.903 . . . . 51.63 117.049 -179.436 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.76 -6.55 15.28 Favored 'Trans proline' 0 C--O 1.261 1.628 0 O-C-N 116.063 -2.651 . . . . 57.81 113.629 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.43 -9.87 58.65 Favored Glycine 0 C--O 1.251 1.217 0 CA-C-O 125.851 2.917 . . . . 57.4 110.586 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' O ' ' OG ' ' D' ' 11' ' ' SER . 86.4 t80 -86.68 -60.32 2.02 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-N 113.059 -1.57 . . . . 53.36 113.469 -176.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 122.717 1.246 . . . . 60.22 112.721 -176.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -40.43 -32.56 0.2 Allowed 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.554 2.342 . . . . 76.28 113.175 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -80.83 -9.34 59.83 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 121.91 2.141 . . . . 86.83 112.464 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.567 ' HG2' ' OG ' ' D' ' 11' ' ' SER . 12.9 mm100 -76.82 152.36 35.55 Favored 'General case' 0 C--O 1.276 2.459 1 N-CA-C 96.974 -5.195 . . . . 78.83 96.974 171.922 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.328 1.7 mptt -98.55 -5.41 32.14 Favored 'General case' 0 N--CA 1.518 2.928 2 CA-C-N 128.08 4.946 . . . . 83.9 110.621 -178.942 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.12 111.33 11.16 Favored Pre-proline 0 N--CA 1.413 -2.305 0 C-N-CA 131.245 3.818 . . . . 68.53 117.475 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.66 -2.69 12.54 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.633 2.888 . . . . 61.52 113.384 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -100.83 -6.27 25.04 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 126.193 1.797 . . . . 46.84 111.356 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.79 -52.92 2.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.684 2.659 . . . . 45.58 116.379 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 31' ' ' ARG . 98.5 t -52.79 -52.6 26.5 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 0 O-C-N 116.934 -3.603 . . . . 44.62 110.994 173.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.36 -39.17 72.45 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 120.602 -1.311 . . . . 53.34 113.74 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -32.91 65.65 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.178 -0.465 . . . . 48.69 110.509 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -65.8 -53.84 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 105.788 -1.93 . . . . 44.01 105.788 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . 0.48 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 16.8 tpt -47.58 -35.54 9.27 Favored 'General case' 0 C--O 1.238 0.46 1 CA-C-O 128.967 4.222 . . . . 51.42 114.735 177.69 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -43.86 85.51 Favored 'General case' 0 N--CA 1.447 -0.587 1 O-C-N 115.213 -4.679 . . . . 63.78 112.695 -179.62 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -73.66 -26.11 60.59 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 119.159 -2.213 . . . . 65.9 111.804 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.13 -23.11 44.24 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 115.785 1.772 . . . . 57.6 115.785 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -95.33 72.66 3.27 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 124.17 1.938 . . . . 69.72 110.162 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 104' ' ' HOH . 0.0 OUTLIER -50.2 -55.53 14.83 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 119.698 -1.876 . . . . 87.78 108.89 177.234 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 55.6 m -79.74 9.39 5.2 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 115.36 1.615 . . . . 70.99 115.36 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' CYS . 1.6 mmp_? 46.5 37.21 4.14 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 117.303 -3.373 . . . . 92.36 113.902 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -105.67 8.07 32.93 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 126.173 2.892 . . . . 67.33 111.334 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.13 18.58 78.0 Favored Glycine 0 N--CA 1.427 -1.96 0 O-C-N 116.44 -3.913 . . . . 57.92 115.943 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.89 136.68 48.84 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 119.266 1.533 . . . . 65.41 110.986 -179.914 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 70' ' ' SER . 74.9 t -109.39 109.09 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 112.125 -2.307 . . . . 49.28 111.595 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.28 -171.35 38.28 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.126 -0.943 . . . . 38.41 112.829 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -69.57 -44.04 71.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.944 -1.327 . . . . 38.79 112.527 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -65.8 -46.25 79.35 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 129.585 3.154 . . . . 68.17 111.293 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' PHE . 8.4 m -62.74 -45.14 94.09 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 125.617 3.826 . . . . 40.03 111.567 168.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 37.2 t80 -53.17 -38.61 62.94 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 114.696 -2.801 . . . . 35.77 109.709 175.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -68.27 -31.01 70.17 Favored 'General case' 0 N--CA 1.412 -2.342 0 O-C-N 117.823 -3.048 . . . . 35.7 114.655 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -71.31 -32.98 69.26 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.52 1.629 . . . . 50.15 108.086 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.6 -45.34 87.36 Favored 'General case' 0 N--CA 1.409 -2.518 0 O-C-N 117.309 -3.369 . . . . 32.29 109.24 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.87 -35.65 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-N 123.369 2.804 . . . . 33.53 111.903 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.39 -58.08 8.96 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 119.74 -1.85 . . . . 32.74 107.644 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.95 -55.4 1.86 Allowed Glycine 0 N--CA 1.509 3.525 0 CA-C-O 117.497 -1.724 . . . . 32.26 110.717 168.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.9 mt -70.48 -32.57 70.14 Favored 'General case' 0 C--O 1.293 3.37 1 CA-C-N 126.003 4.901 . . . . 36.13 113.511 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.8 m -71.2 -43.63 67.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 118.704 -1.198 . . . . 29.34 110.418 -172.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.7 mt -63.81 -37.01 78.59 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 CA-C-N 113.453 -1.703 . . . . 37.63 108.15 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.03 82.08 Favored 'General case' 0 C--N 1.386 2.161 0 O-C-N 117.026 -3.546 . . . . 40.66 108.451 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -62.08 -37.52 85.36 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 118.365 -1.334 . . . . 37.33 112.636 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' NE2' ' B' ' 16' ' ' HIS . 14.4 t-20 -72.51 -38.7 68.02 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 123.693 0.797 . . . . 38.86 111.815 179.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.93 -45.81 90.72 Favored 'General case' 0 N--CA 1.535 3.792 0 N-CA-C 104.934 -2.247 . . . . 43.74 104.934 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -59.59 -46.34 89.24 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 126.217 2.913 . . . . 55.97 114.209 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.78 -45.82 92.24 Favored 'General case' 0 CA--C 1.504 -0.817 1 O-C-N 115.703 -4.373 . . . . 47.82 110.307 -178.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.1 t -58.57 -43.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 C-N-CA 116.424 -2.111 . . . . 48.11 113.409 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.12 -46.66 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.535 0 C-N-CA 129.331 3.052 . . . . 57.04 116.476 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -107.57 -35.24 6.78 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 119.287 3.069 . . . . 61.1 119.287 -176.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . 0.826 ' SD ' ' CD1' ' D' ' 6' ' ' ILE . 29.4 mtp -98.81 -35.83 10.0 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 111.903 -3.903 . . . . 64.16 119.036 -176.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 91' ' ' LYS 0.273 0.0 OUTLIER . . . . . 0 C--O 1.291 3.28 1 CA-C-N 127.968 4.895 . . . . 85.08 114.472 -178.263 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PRO . . . . . 0.47 ' HA ' ' OE1' ' B' ' 5' ' ' GLU . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.116 0 N-CA-C 109.169 -1.127 . . . . 40.6 109.169 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . 0.502 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . 95.0 p -89.57 179.26 6.08 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 122.123 2.238 . . . . 36.52 107.713 -177.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.87 -41.85 99.55 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 115.348 -2.541 . . . . 54.26 111.236 170.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mmm -57.88 -43.29 85.95 Favored 'General case' 0 C--O 1.205 -1.243 0 O-C-N 116.607 -3.808 . . . . 39.11 109.621 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 1' ' ' PRO . 82.3 mt-10 -66.68 -38.19 86.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-O 115.458 -2.211 . . . . 40.2 112.765 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -67.3 -39.69 85.98 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 126.487 2.367 . . . . 30.78 108.566 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 11' ' ' MET . . . -63.47 -37.59 87.86 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 114.926 -2.71 . . . . 33.08 113.859 178.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' MET . . . . . 0.422 ' SD ' ' HE1' ' A' ' 38' ' ' PHE . 66.1 mtp -72.26 -42.14 65.96 Favored 'General case' 0 N--CA 1.524 3.248 0 N-CA-C 105.933 -1.877 . . . . 35.98 105.933 -173.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' D' ' 1' ' ' SER . 22.8 tt0 -60.46 -44.61 95.68 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 116.258 -1.829 . . . . 47.84 110.212 176.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . 0.514 0.1 OUTLIER -61.11 -42.0 97.71 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 112.118 -3.801 . . . . 29.84 109.189 -176.601 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' B' ' 7' ' ' ALA . 4.9 mtt -66.06 -31.1 71.78 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 122.089 2.222 . . . . 44.74 112.095 178.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttp -73.65 -48.61 31.13 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 120.422 1.464 . . . . 47.64 109.29 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -66.44 -28.32 68.51 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 115.156 -2.354 . . . . 56.88 112.624 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.9 m -62.75 -62.16 1.92 Allowed 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 129.5 3.12 . . . . 48.71 109.051 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.51 -47.54 48.66 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 113.294 -1.776 . . . . 43.36 110.001 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 87.4 m-70 -62.46 -36.9 83.93 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 117.101 -1.84 . . . . 57.19 114.096 -176.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -58.97 -41.47 87.62 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.789 2.835 . . . . 73.27 109.086 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.643 ' CD2' HD22 ' B' ' 33' ' ' LEU . 86.3 m-85 -93.63 -9.08 39.19 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 125.733 1.896 . . . . 61.89 112.769 -177.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.481 ' O ' ' HE3' ' B' ' 22' ' ' LYS . . . -95.13 -33.44 12.65 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 118.487 -1.285 . . . . 66.82 109.944 -172.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.35 -169.61 41.76 Favored Glycine 0 N--CA 1.467 0.742 0 C-N-CA 117.9 -2.095 . . . . 72.47 112.253 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -31.24 68.14 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.826 -1.176 . . . . 87.1 107.826 -178.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -52.52 -14.24 0.47 Allowed 'General case' 0 C--O 1.252 1.232 0 O-C-N 118.953 -2.342 . . . . 69.9 113.482 177.339 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 10.53 52.15 Favored Glycine 0 N--CA 1.434 -1.446 0 N-CA-C 118.874 2.31 . . . . 66.59 118.874 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' TYR . . . . . 0.608 ' CD2' ' HG2' ' B' ' 65' ' ' LYS . 49.1 p90 -147.23 178.77 8.13 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 121.4 2.6 . . . . 71.96 106.552 178.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' B' ' 29' ' ' ASP . 4.2 pp -127.23 143.66 51.2 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 115.318 -2.553 . . . . 64.04 112.751 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' THR . . . . . 0.422 HG22 ' H ' ' B' ' 27' ' ' LYS . 1.9 m -90.77 179.36 5.81 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 119.48 -2.013 . . . . 69.9 106.472 178.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' H ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -64.72 -27.46 68.92 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.657 1.694 . . . . 80.37 110.043 178.831 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.49 -24.23 67.09 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 117.94 -2.975 . . . . 80.96 110.391 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' B' ' 25' ' ' LEU . 1.6 m-20 -89.87 -35.76 15.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.71 -1.586 . . . . 74.99 111.578 179.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' B' ' 33' ' ' LEU . 40.7 tp -63.7 -54.55 33.71 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 117.527 -1.225 . . . . 57.84 108.344 -179.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.818 ' HG2' HG21 ' B' ' 51' ' ' VAL . 4.5 mtp-105 -45.64 -53.96 8.46 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 126.112 1.765 . . . . 83.07 113.997 175.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.27 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 C-N-CA 119.062 -1.055 . . . . 59.8 111.326 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' PHE . 0.2 OUTLIER -52.16 -52.69 50.36 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.417 1.887 . . . . 54.61 107.063 -179.127 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' MET . . . . . 0.736 ' HE1' HD13 ' B' ' 54' ' ' ILE . 5.3 mmm -65.46 -27.41 68.48 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 112.733 -2.03 . . . . 63.89 112.653 -178.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -77.86 -56.35 4.57 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.798 1.311 . . . . 69.54 108.318 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.88 -19.08 61.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 115.202 -2.332 . . . . 70.46 116.123 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -107.28 -18.1 13.97 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 122.72 2.509 . . . . 53.79 116.998 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -135.92 55.87 13.34 Favored Pre-proline 0 C--N 1.314 -0.96 0 C-N-CA 124.81 1.244 . . . . 62.11 110.79 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.62 -47.58 20.22 Favored 'Trans proline' 0 CA--C 1.492 -1.598 0 C-N-CA 124.284 3.322 . . . . 63.63 117.089 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 26.63 2.67 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 116.621 -2.704 . . . . 74.65 115.468 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' B' ' 42' ' ' LEU . 48.8 t80 -122.28 -41.46 2.41 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 117.974 2.583 . . . . 70.36 117.974 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -76.19 -41.69 48.74 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 118.973 -2.33 . . . . 77.65 111.092 -179.011 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 100' ' ' HOH . 19.1 mp0 -63.77 -41.31 98.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 113.584 -1.644 . . . . 83.38 109.148 178.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -75.4 -20.74 58.74 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.186 -1.006 . . . . 90.9 109.209 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.671 ' OE1' ' HA ' ' C' ' 11' ' ' SER . 14.5 mm100 -71.13 136.74 48.33 Favored 'General case' 0 N--CA 1.499 1.982 1 N-CA-C 97.62 -4.956 . . . . 101.32 97.62 174.746 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -74.65 -35.66 62.85 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 116.156 -2.218 . . . . 106.25 115.599 -173.922 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' B' ' 49' ' ' LEU . 7.7 t0 -62.09 144.08 94.52 Favored Pre-proline 0 C--N 1.306 -1.293 0 C-N-CA 131.149 3.78 . . . . 99.49 117.587 -175.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -87.79 -12.49 4.33 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 123.719 2.946 . . . . 91.19 114.551 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.569 ' N ' ' OD1' ' B' ' 47' ' ' ASP . 7.0 mt -96.05 17.39 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.367 1.067 . . . . 84.75 112.376 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.34 -67.19 0.28 Allowed 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 128.313 2.645 . . . . 76.72 114.001 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.818 HG21 ' HG2' ' B' ' 31' ' ' ARG . 3.1 t -62.29 -51.64 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 C-N-CA 124.05 0.94 . . . . 74.94 112.571 -177.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.95 -48.75 11.37 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 116.83 -1.557 . . . . 84.11 110.688 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -67.17 -30.74 70.78 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 125.377 1.673 . . . . 83.07 112.242 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.736 HD13 ' HE1' ' B' ' 34' ' ' MET . 0.4 OUTLIER -61.86 -57.81 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 116.625 -2.03 . . . . 69.52 107.652 178.8 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' MET . . . . . 0.472 ' O ' ' C ' ' B' ' 56' ' ' LYS . 6.5 tpt -53.07 -31.5 42.07 Favored 'General case' 0 N--CA 1.417 -2.078 0 C-N-CA 131.166 3.786 . . . . 71.48 114.177 177.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' B' ' 55' ' ' MET . 8.0 ttpp -51.62 -60.14 3.49 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 104.1 -2.555 . . . . 79.43 104.1 178.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -65.61 -24.97 67.18 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 116.148 1.907 . . . . 87.88 116.148 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 12.8 mt -77.17 -24.68 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 118.58 -2.575 . . . . 74.59 112.715 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.63 76.04 1.03 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.247 1.943 . . . . 81.47 116.247 -172.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.02 0.12 Allowed 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 124.989 2.328 . . . . 98.91 109.47 176.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 31.0 m -59.57 1.86 0.08 Allowed 'General case' 0 C--O 1.258 1.524 0 N-CA-C 116.962 2.208 . . . . 92.43 116.962 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 42.67 37.23 0.97 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.927 -2.983 . . . . 101.37 113.835 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -91.21 -1.23 57.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 121.03 1.741 . . . . 88.23 111.379 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.51 36.34 62.67 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 124.292 2.051 . . . . 72.62 111.283 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.608 ' HG2' ' CD2' ' B' ' 24' ' ' TYR . 9.4 mttm -137.04 135.21 37.35 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 117.456 -1.697 . . . . 85.4 108.209 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.82 116.67 52.42 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 104.759 -2.311 . . . . 56.33 104.759 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.29 175.32 29.36 Favored Glycine 0 CA--C 1.552 2.379 0 C-N-CA 117.952 -2.071 . . . . 46.94 108.349 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.17 -48.2 4.77 Favored 'General case' 0 C--O 1.265 1.913 0 N-CA-C 115.787 1.773 . . . . 46.28 115.787 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -33.23 65.69 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 123.369 1.557 . . . . 70.11 111.766 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -36.29 65.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.629 1.681 . . . . 49.7 107.046 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -54.52 -50.13 68.6 Favored 'General case' 0 N--CA 1.401 -2.916 0 O-C-N 118.438 -2.664 . . . . 45.24 110.001 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . 0.261 1.8 t80 -58.23 -35.6 71.93 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 123.573 1.654 . . . . 41.3 112.803 171.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -29.26 67.16 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 123.657 1.694 . . . . 46.44 109.232 178.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.3 -59.73 3.74 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 118.853 -2.404 . . . . 43.51 106.703 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 6.5 mm -52.29 -46.42 45.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-N 115.688 -0.687 . . . . 46.17 111.465 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.3 -54.26 38.94 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-O 123.488 1.613 . . . . 39.45 110.784 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.73 -43.19 91.8 Favored Glycine 0 C--O 1.262 1.852 0 O-C-N 118.851 -2.406 . . . . 42.78 112.096 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -41.63 92.03 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 116.08 -2.248 . . . . 42.34 114.506 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -63.57 -40.37 96.79 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 114.355 1.243 . . . . 41.55 114.355 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -72.38 -34.62 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 116.423 -1.751 . . . . 48.41 107.897 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.66 68.14 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.553 1.07 . . . . 41.59 108.933 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' CYS . . . . . 0.601 ' SG ' HD21 ' C' ' 7' ' ' LEU . 78.4 m -55.75 -37.35 68.38 Favored 'General case' 0 N--CA 1.428 -1.544 0 O-C-N 120.4 -1.437 . . . . 45.29 111.063 175.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.487 ' ND2' ' NE2' ' A' ' 16' ' ' HIS . 9.5 t-20 -69.9 -41.12 75.13 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 116.2 -2.2 . . . . 45.39 108.362 -174.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -53.56 -49.5 67.54 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.2 -1.364 . . . . 68.57 111.482 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -63.97 -38.04 89.63 Favored 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.208 1.803 . . . . 77.9 113.208 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.96 -41.79 86.3 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 121.149 -0.969 . . . . 61.18 111.747 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.444 HG13 ' CE ' ' B' ' 91' ' ' LYS . 5.5 t -69.97 -34.57 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 119.473 -0.891 . . . . 65.7 112.714 -172.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 t -79.9 -51.15 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 124.65 1.18 . . . . 71.06 113.45 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -93.33 -28.15 16.36 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 114.749 1.389 . . . . 75.49 114.749 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' MET . . . . . 0.499 ' O ' ' C ' ' B' ' 91' ' ' LYS . 83.8 mtp -120.77 -40.39 2.65 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 117.732 2.493 . . . . 75.95 117.732 -176.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' B' ' 90' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.437 0 CA-C-N 121.355 1.889 . . . . 93.86 110.052 -175.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 43.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p -72.36 -36.43 68.75 Favored 'General case' 0 N--CA 1.403 -2.803 1 O-C-N 135.07 7.732 . . . . 49.71 103.684 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 100' ' ' HOH 0.426 0.5 OUTLIER -81.32 -32.68 32.94 Favored 'General case' 1 C--O 1.417 9.889 1 CA-C-O 133.393 6.33 . . . . 39.54 113.732 173.037 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.87 -35.48 54.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 1 O-C-N 103.978 -11.701 . . . . 34.56 108.835 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -58.12 -47.87 81.97 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.357 -0.838 . . . . 49.48 110.067 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.53 -39.95 80.97 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.92 -1.738 . . . . 61.73 111.147 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 2' ' ' THR . 15.6 mt -67.81 -41.1 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 114.763 -2.775 . . . . 44.56 107.942 177.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.601 HD21 ' SG ' ' B' ' 82' ' ' CYS 0.27 62.2 mt -53.68 -37.7 63.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 116.349 -2.14 . . . . 52.52 112.807 -178.965 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -61.5 -31.84 71.84 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 116.932 -1.509 . . . . 67.97 112.662 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -80.84 -4.96 56.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 121.883 2.129 . . . . 86.73 111.749 174.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -105.19 -10.46 17.08 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 104.87 -2.27 . . . . 86.84 104.87 178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' SER . . . . . 0.671 ' HA ' ' OE1' ' B' ' 45' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.177 0 O-C-N 126.347 2.28 . . . . 95.07 114.172 177.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.649 . . . . . . . . 52.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' SER . . . . . 0.492 ' N ' ' OE1' ' B' ' 9' ' ' GLU . 9.9 t -105.59 -32.49 8.45 Favored 'General case' 0 CA--C 1.588 2.418 1 N-CA-C 99.975 -4.083 . . . . 60.04 99.975 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . 0.296 0.1 OUTLIER -89.09 -17.05 30.06 Favored 'General case' 0 N--CA 1.405 -2.725 0 CA-C-N 112.372 -2.194 . . . . 53.38 108.285 177.347 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 1.8 t -81.88 -30.83 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 104.0 -2.592 . . . . 43.97 104.0 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' HIS . . . . . 0.458 ' HD1' ' CD ' ' B' ' 5' ' ' GLU . 76.6 t60 -69.06 -40.72 78.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 116.335 -1.793 . . . . 46.0 110.692 -177.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' GLU . . . . . 1.489 ' N ' ' CA ' ' D' ' 5' ' ' GLU 1.041 16.7 tp10 -38.42 -82.02 0.01 OUTLIER 'General case' 1 N--CA 1.731 13.588 2 C-N-CA 141.574 7.95 . . . . 74.15 95.875 166.875 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.826 ' CD1' ' SD ' ' A' ' 90' ' ' MET . 0.8 OUTLIER -50.23 -51.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.893 -2.412 . . . . 46.05 110.242 -166.533 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.08 -24.05 64.29 Favored 'General case' 0 N--CA 1.424 -1.73 1 O-C-N 116.246 -4.034 . . . . 48.21 112.961 -169.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -32.33 55.56 Favored 'General case' 0 C--N 1.273 -2.739 1 C-N-CA 132.06 4.144 . . . . 55.75 112.613 179.423 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . 0.28 38.3 mmtt -86.72 0.66 54.26 Favored 'General case' 0 N--CA 1.428 -1.566 0 C-N-CA 127.414 2.286 . . . . 66.23 110.518 172.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 76.8 mt -103.99 -14.43 15.96 Favored 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 103.274 -2.862 . . . . 59.02 103.274 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' SER . . . . . 0.567 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.404 -2.738 1 C-N-CA 132.82 4.448 . . . . 71.25 110.683 177.799 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . 0.591 ' O ' ' CG2' ' C' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_