==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 16-NOV-10 3PMC . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN PXO2-61/BXB0075/GBAA_PXO2 . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.R.STRANZL,E.SANTELLI,L.A.BANKSTON,C.LA CLAIR,A.BOBKOV, . 264 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A K 0 0 246 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.9 15.4 24.4 31.0 2 6 A C > + 0 0 24 1,-0.1 4,-1.4 2,-0.0 3,-0.2 -0.789 360.0 177.7-150.6 97.4 12.7 23.1 28.7 3 7 A L H > S+ 0 0 119 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.791 85.1 66.0 -68.1 -29.8 10.7 19.9 29.4 4 8 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 101.8 47.8 -58.5 -44.9 8.6 20.5 26.3 5 9 A C H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.920 112.4 48.3 -59.0 -47.6 11.7 20.0 24.1 6 10 A R H X S+ 0 0 164 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.906 112.0 49.6 -62.0 -43.2 12.6 16.8 25.9 7 11 A Y H X S+ 0 0 89 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.949 115.4 42.3 -60.6 -51.7 9.1 15.5 25.6 8 12 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.872 112.6 53.7 -64.5 -40.0 8.9 16.2 21.9 9 13 A K H >< S+ 0 0 102 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.927 116.7 39.0 -60.6 -45.4 12.4 15.0 21.3 10 14 A E H 3< S+ 0 0 141 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.837 122.6 39.8 -70.2 -36.2 11.6 11.7 22.9 11 15 A R T 3X S+ 0 0 133 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.176 80.9 118.2-102.1 14.4 8.0 11.3 21.6 12 16 A Q H <> S+ 0 0 83 -3,-0.6 4,-2.1 -4,-0.4 5,-0.2 0.834 74.8 46.9 -55.5 -46.1 8.9 12.6 18.0 13 17 A E H > S+ 0 0 152 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.941 117.3 45.6 -63.1 -42.3 8.0 9.4 16.1 14 18 A K H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 109.4 53.7 -67.1 -43.9 4.7 9.2 18.0 15 19 A F H X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.936 112.2 45.3 -55.2 -47.2 3.9 12.9 17.7 16 20 A I H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.880 110.3 54.0 -66.3 -40.3 4.2 12.6 13.9 17 21 A S H X S+ 0 0 55 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.931 111.9 44.0 -58.9 -45.2 2.2 9.4 13.8 18 22 A D H < S+ 0 0 49 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.877 113.2 52.3 -65.0 -42.3 -0.7 11.0 15.6 19 23 A W H >X S+ 0 0 21 -4,-2.3 3,-2.1 -5,-0.2 4,-0.9 0.920 101.6 59.0 -60.7 -45.7 -0.4 14.1 13.4 20 24 A K H 3< S+ 0 0 114 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.793 101.8 57.1 -55.9 -30.7 -0.5 12.1 10.2 21 25 A K T 3< S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.646 111.1 41.8 -74.6 -14.8 -4.0 10.8 11.4 22 26 A K T <4 S+ 0 0 101 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.476 96.5 90.9-113.1 -7.7 -5.4 14.3 11.7 23 27 A V S < S- 0 0 20 -4,-0.9 2,-0.9 -3,-0.3 57,-0.1 -0.504 79.0-109.3 -94.1 163.1 -4.1 16.1 8.6 24 28 A I + 0 0 54 55,-0.3 2,-0.3 -2,-0.2 59,-0.1 -0.820 57.5 143.3 -89.9 100.7 -5.5 16.6 5.1 25 29 A I - 0 0 48 -2,-0.9 2,-0.3 -5,-0.1 -2,-0.0 -0.940 32.7-155.4-142.9 117.6 -3.2 14.5 2.9 26 30 A R > - 0 0 81 -2,-0.3 3,-2.1 1,-0.1 6,-0.1 -0.716 24.2-126.3 -97.0 148.9 -4.6 12.6 -0.1 27 31 A E T 3 S+ 0 0 161 -2,-0.3 5,-0.2 1,-0.3 -1,-0.1 0.801 110.6 62.0 -60.5 -27.6 -3.1 9.4 -1.6 28 32 A R T 3 S+ 0 0 180 3,-0.1 -1,-0.3 4,-0.1 -3,-0.0 0.517 75.1 116.2 -74.6 -7.0 -3.1 11.2 -5.0 29 33 A D X - 0 0 8 -3,-2.1 3,-1.7 1,-0.2 4,-0.2 -0.528 63.1-146.0 -67.2 122.5 -0.8 14.0 -3.7 30 34 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.699 99.3 38.5 -65.1 -18.5 2.4 13.8 -5.7 31 35 A Y T 3> S+ 0 0 80 38,-0.1 4,-2.0 1,-0.1 3,-0.3 0.033 73.9 126.0-118.4 27.9 4.4 14.8 -2.6 32 36 A K H <> S+ 0 0 54 -3,-1.7 4,-1.1 1,-0.2 3,-0.1 0.890 78.6 48.0 -52.8 -40.8 2.5 12.9 0.1 33 37 A E H > S+ 0 0 105 1,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.874 109.4 53.0 -70.6 -35.7 5.7 11.2 1.3 34 38 A E H > S+ 0 0 57 -3,-0.3 4,-3.2 1,-0.2 5,-0.3 0.810 98.8 64.4 -68.0 -32.1 7.6 14.6 1.4 35 39 A I H X S+ 0 0 19 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.935 105.8 44.5 -56.4 -45.2 4.8 16.1 3.5 36 40 A I H X S+ 0 0 30 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.929 113.6 49.2 -66.8 -43.6 5.7 13.7 6.3 37 41 A K H X S+ 0 0 117 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.887 110.8 50.5 -63.1 -40.7 9.5 14.3 5.9 38 42 A N H X S+ 0 0 13 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.895 110.5 51.0 -61.0 -41.8 9.0 18.0 5.9 39 43 A G H X S+ 0 0 15 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.903 109.7 48.5 -60.8 -44.8 7.0 17.6 9.1 40 44 A E H X S+ 0 0 85 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.907 113.6 48.0 -61.6 -45.7 9.7 15.5 10.8 41 45 A H H X S+ 0 0 91 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.2 47.7 -62.7 -46.8 12.3 18.1 9.8 42 46 A L H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.836 107.2 56.1 -71.6 -27.6 10.3 21.1 11.0 43 47 A L H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.931 109.7 47.3 -64.6 -43.4 9.5 19.4 14.4 44 48 A S H X S+ 0 0 64 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.914 112.2 49.6 -60.5 -41.1 13.2 19.0 14.8 45 49 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.888 107.4 54.7 -65.2 -39.2 13.7 22.6 13.8 46 50 A F H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.919 107.8 49.7 -58.6 -44.8 11.0 23.7 16.3 47 51 A I H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.939 111.2 48.7 -62.4 -45.5 12.9 21.9 19.1 48 52 A M H <>S+ 0 0 66 -4,-2.2 5,-3.0 1,-0.2 6,-0.7 0.864 110.1 52.5 -61.9 -35.1 16.1 23.7 18.1 49 53 A Y H ><5S+ 0 0 31 -4,-2.3 3,-1.7 3,-0.2 -2,-0.2 0.920 106.9 51.2 -67.5 -43.4 14.2 27.0 18.0 50 54 A L H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 110.4 50.4 -59.3 -36.9 12.9 26.5 21.6 51 55 A K T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.362 115.7-119.1 -81.6 2.5 16.5 25.8 22.7 52 56 A E T < 5S+ 0 0 150 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.795 79.2 124.3 62.4 33.5 17.6 29.0 20.9 53 57 A E S - 0 0 57 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.732 32.4-108.8 -99.1 160.8 16.9 31.5 14.2 56 60 A L G > S+ 0 0 40 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.793 113.2 70.4 -59.5 -30.5 13.6 31.7 12.4 57 61 A Q G > S+ 0 0 121 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.816 85.5 70.1 -55.9 -29.1 15.3 32.6 9.1 58 62 A E G < S+ 0 0 100 -3,-1.6 4,-0.3 1,-0.3 -1,-0.3 0.648 93.9 53.6 -70.4 -14.0 16.7 29.1 9.0 59 63 A I G <> S+ 0 0 2 -3,-1.8 4,-2.1 -4,-0.2 -1,-0.3 0.498 84.3 87.4 -94.1 -3.7 13.2 27.6 8.2 60 64 A E H <> S+ 0 0 38 -3,-1.5 4,-2.0 -4,-0.4 5,-0.2 0.878 83.9 55.0 -63.6 -37.0 12.6 29.9 5.2 61 65 A I H > S+ 0 0 125 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.914 109.1 48.3 -61.1 -39.3 14.3 27.5 2.8 62 66 A T H > S+ 0 0 10 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.892 108.2 55.1 -68.1 -39.1 12.0 24.7 3.9 63 67 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.892 106.8 50.0 -58.6 -41.0 9.0 27.1 3.5 64 68 A K H X S+ 0 0 111 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.884 110.8 50.3 -66.8 -39.1 10.0 27.7 -0.1 65 69 A K H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.926 110.7 48.2 -62.7 -49.2 10.3 23.9 -0.7 66 70 A I H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.937 110.3 52.5 -56.0 -48.1 6.8 23.3 0.8 67 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 108.6 49.6 -57.6 -44.0 5.3 26.0 -1.3 68 72 A R H X S+ 0 0 102 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 112.5 48.2 -60.0 -42.8 6.8 24.6 -4.6 69 73 A E H X S+ 0 0 14 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.897 109.9 51.6 -65.8 -41.4 5.4 21.1 -3.7 70 74 A R H X>S+ 0 0 14 -4,-2.7 5,-1.2 2,-0.2 4,-0.8 0.874 107.6 52.8 -65.1 -38.2 2.0 22.5 -2.9 71 75 A I H ><5S+ 0 0 20 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.954 111.2 46.8 -59.1 -48.6 1.9 24.3 -6.2 72 76 A D H 3<5S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.811 107.3 56.7 -65.1 -31.2 2.7 21.0 -8.0 73 77 A A H 3<5S- 0 0 9 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.629 100.0-139.4 -73.8 -15.2 0.0 19.2 -5.9 74 78 A K T <<5 + 0 0 185 -3,-1.2 2,-0.2 -4,-0.8 -3,-0.2 0.762 53.3 139.5 60.9 30.4 -2.6 21.7 -7.2 75 79 A V < - 0 0 14 -5,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.623 66.2 -88.8 -97.4 160.8 -4.2 21.9 -3.8 76 80 A N > - 0 0 26 -2,-0.2 3,-2.2 1,-0.2 4,-0.4 -0.552 34.3-136.1 -63.7 125.1 -5.6 24.8 -1.9 77 81 A I T >> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.3 3,-0.6 0.699 99.1 75.6 -61.7 -17.8 -2.6 26.3 0.1 78 82 A A H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.748 82.0 68.6 -64.9 -22.0 -5.0 26.6 3.1 79 83 A E H <> S+ 0 0 29 -3,-2.2 4,-2.8 1,-0.2 -55,-0.3 0.918 97.7 51.5 -63.4 -39.6 -4.7 22.8 3.6 80 84 A F H <> S+ 0 0 16 -3,-0.6 4,-2.4 -4,-0.4 -1,-0.2 0.883 108.4 51.2 -57.8 -44.0 -1.1 23.4 4.6 81 85 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.956 111.2 47.6 -59.4 -48.4 -2.3 26.0 7.1 82 86 A H H X S+ 0 0 60 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.935 113.0 48.7 -55.6 -47.4 -4.8 23.5 8.5 83 87 A N H X S+ 0 0 13 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.866 111.5 48.8 -66.0 -36.2 -2.1 20.8 8.7 84 88 A T H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.915 109.0 53.7 -67.2 -44.3 0.3 23.1 10.4 85 89 A N H X S+ 0 0 15 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.834 100.2 60.9 -62.0 -31.9 -2.3 24.2 12.9 86 90 A V H X S+ 0 0 21 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.936 108.0 45.0 -59.2 -44.6 -3.0 20.6 13.9 87 91 A A H X S+ 0 0 14 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.920 112.3 50.9 -63.0 -45.2 0.6 20.4 15.0 88 92 A K H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.919 109.2 50.7 -61.7 -45.3 0.5 23.7 16.8 89 93 A I H X S+ 0 0 88 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.915 110.9 48.6 -58.8 -42.4 -2.7 22.7 18.7 90 94 A E H X S+ 0 0 49 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.912 110.0 51.5 -68.7 -38.9 -1.2 19.4 19.8 91 95 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 109.7 50.3 -59.2 -43.3 2.0 21.2 21.0 92 96 A M H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.883 109.1 52.0 -62.3 -39.0 -0.1 23.6 23.0 93 97 A N H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.904 109.9 48.4 -62.0 -42.2 -1.9 20.6 24.5 94 98 A I H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 110.1 52.1 -65.4 -42.4 1.3 19.0 25.5 95 99 A L H < S+ 0 0 2 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.924 109.6 49.5 -59.1 -44.2 2.6 22.3 27.0 96 100 A T H >< S+ 0 0 57 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.914 110.7 49.7 -61.2 -42.7 -0.6 22.6 29.1 97 101 A L H 3< S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 99.5 65.2 -68.8 -33.1 -0.3 19.0 30.4 98 102 A L T 3< S- 0 0 57 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.582 100.8-138.7 -68.1 -11.8 3.3 19.5 31.4 99 103 A N < + 0 0 133 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.885 30.5 178.6 65.6 46.8 2.0 22.0 34.0 100 104 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.372 32.6-103.6 -74.4 165.3 4.6 24.9 33.8 101 105 A D > - 0 0 106 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.313 41.9 -93.3 -78.0 171.4 4.1 28.0 35.9 102 106 A L H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.891 122.6 52.0 -57.3 -45.5 2.8 31.2 34.3 103 107 A Q H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 114.7 41.3 -57.4 -49.2 6.2 32.7 33.5 104 108 A Q H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.897 113.8 54.1 -66.8 -41.6 7.5 29.6 31.7 105 109 A Y H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.936 110.0 47.0 -58.1 -48.3 4.1 29.1 30.0 106 110 A Q H X S+ 0 0 37 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.894 110.7 51.4 -61.3 -42.5 4.2 32.7 28.7 107 111 A A H X S+ 0 0 48 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.915 114.4 43.3 -63.5 -42.3 7.8 32.4 27.4 108 112 A L H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.884 109.0 56.2 -73.3 -39.9 7.0 29.2 25.5 109 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.916 107.2 51.6 -55.6 -44.6 3.7 30.4 24.1 110 114 A K H X S+ 0 0 103 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.938 112.5 44.4 -58.4 -47.9 5.7 33.4 22.6 111 115 A K H X S+ 0 0 44 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.898 113.3 51.0 -64.2 -41.1 8.2 31.0 21.0 112 116 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.937 113.1 46.1 -59.7 -48.9 5.5 28.6 19.7 113 117 A N H X S+ 0 0 14 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.928 112.1 50.5 -62.1 -44.9 3.6 31.5 18.2 114 118 A Q H X S+ 0 0 81 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.933 112.4 46.8 -60.4 -44.7 6.7 33.0 16.6 115 119 A F 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4,-2.4 -5,-0.3 -2,-0.2 0.931 112.5 45.0 -54.7 -49.5 4.2 34.2 0.8 126 130 A S H X S+ 0 0 4 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.880 108.3 57.6 -66.6 -37.7 6.4 31.9 -1.2 127 131 A Y H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.957 111.6 42.0 -54.8 -50.1 3.5 30.0 -2.7 128 132 A Y H X S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.898 115.0 50.1 -67.0 -42.5 2.1 33.3 -4.1 129 133 A E H < S+ 0 0 110 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.7 43.5 -64.3 -40.0 5.5 34.5 -5.3 130 134 A Q H < S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.4 51.6 -76.2 -30.2 6.3 31.3 -7.1 131 135 A K H < 0 0 108 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.793 360.0 360.0 -77.0 -28.9 2.8 30.8 -8.7 132 136 A A < 0 0 104 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.671 360.0 360.0 85.6 360.0 2.9 34.4 -10.1 133 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 134 5 B K 0 0 227 0, 0.0 2,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 18.7 -14.7 37.4 33.6 135 6 B a > + 0 0 24 1,-0.1 4,-1.9 2,-0.1 5,-0.1 -0.519 360.0 163.5-152.6 86.3 -12.9 39.4 30.9 136 7 B L H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.832 86.2 60.4 -63.1 -33.9 -10.7 42.4 31.6 137 8 B L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 105.1 48.6 -61.0 -40.3 -9.2 42.0 28.2 138 9 B a H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 111.9 47.2 -64.8 -47.1 -12.6 42.4 26.7 139 10 B R H X S+ 0 0 195 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.921 112.7 51.0 -59.5 -44.9 -13.4 45.5 28.7 140 11 B Y H X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.959 113.6 42.9 -57.2 -55.0 -10.0 47.0 27.8 141 12 B L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.881 111.3 55.1 -62.9 -38.3 -10.4 46.4 24.1 142 13 B K H < S+ 0 0 115 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.911 115.0 39.3 -61.4 -44.0 -14.0 47.6 24.0 143 14 B E H < S+ 0 0 147 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.859 122.6 41.8 -71.7 -35.1 -13.0 50.9 25.5 144 15 B R H X S+ 0 0 104 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.247 76.6 118.5-100.1 11.9 -9.7 51.2 23.6 145 16 B Q H X S+ 0 0 55 -4,-0.7 4,-2.4 -3,-0.5 5,-0.2 0.863 78.3 46.0 -47.3 -51.0 -11.0 50.0 20.1 146 17 B E H > S+ 0 0 176 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.917 115.7 45.2 -62.3 -45.8 -10.3 53.3 18.3 147 18 B K H > S+ 0 0 123 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 111.4 53.5 -64.3 -42.6 -6.8 53.6 19.8 148 19 B F H X S+ 0 0 18 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.925 111.7 44.9 -57.9 -47.6 -6.0 50.0 19.1 149 20 B I H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.896 111.1 53.0 -66.2 -41.0 -7.0 50.4 15.4 150 21 B S H X S+ 0 0 66 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.924 113.0 44.2 -60.7 -44.3 -5.0 53.7 15.1 151 22 B D H >< S+ 0 0 74 -4,-2.4 3,-0.5 2,-0.2 4,-0.5 0.911 113.2 51.4 -65.1 -42.5 -1.9 52.0 16.4 152 23 B W H >X S+ 0 0 25 -4,-2.4 3,-1.8 -5,-0.2 4,-1.0 0.914 101.8 61.0 -62.1 -43.2 -2.4 48.9 14.3 153 24 B K H 3< S+ 0 0 126 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.821 101.4 54.1 -52.5 -34.6 -2.8 51.0 11.2 154 25 B K T << S+ 0 0 167 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.661 111.4 44.9 -75.4 -15.9 0.8 52.4 11.7 155 26 B K T <4 S+ 0 0 129 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.483 96.0 88.4-106.0 -11.4 2.2 48.8 11.8 156 27 B V S < S- 0 0 20 -4,-1.0 2,-0.8 -3,-0.3 57,-0.1 -0.445 80.0-110.4 -89.8 165.3 0.5 47.1 8.9 157 28 B I + 0 0 60 55,-0.3 2,-0.4 -2,-0.1 59,-0.1 -0.866 46.0 160.1 -96.3 106.8 1.5 46.9 5.3 158 29 B I - 0 0 49 -2,-0.8 2,-0.3 -5,-0.1 -2,-0.0 -0.977 29.7-143.0-131.8 117.9 -1.0 49.0 3.2 159 30 B R > - 0 0 109 -2,-0.4 3,-1.9 1,-0.1 6,-0.1 -0.604 13.2-133.4 -81.7 138.5 0.1 50.0 -0.3 160 31 B E T 3 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.3 5,-0.1 0.832 107.3 56.9 -61.5 -31.5 -1.0 53.5 -1.4 161 32 B R T 3 S+ 0 0 145 3,-0.0 -1,-0.3 4,-0.0 -2,-0.0 0.576 78.1 118.2 -73.0 -10.4 -2.1 52.0 -4.8 162 33 B D X - 0 0 3 -3,-1.9 3,-1.6 1,-0.2 4,-0.2 -0.421 56.7-152.4 -68.1 121.4 -4.4 49.5 -3.0 163 34 B P T 3 S+ 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.712 95.7 43.0 -68.2 -14.5 -8.0 50.2 -4.2 164 35 B Y T 3> S+ 0 0 76 1,-0.1 4,-1.7 38,-0.1 3,-0.3 0.091 71.4 121.3-116.3 24.7 -9.3 48.8 -0.9 165 36 B K H <> S+ 0 0 52 -3,-1.6 4,-1.0 1,-0.3 -1,-0.1 0.874 79.1 50.6 -60.5 -33.5 -6.9 50.4 1.5 166 37 B E H > S+ 0 0 118 -4,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.879 106.9 53.8 -68.9 -37.6 -9.9 52.1 3.3 167 38 B E H > S+ 0 0 45 -3,-0.3 4,-3.3 1,-0.2 5,-0.2 0.780 97.5 66.3 -66.5 -29.2 -11.8 48.8 3.5 168 39 B I H X S+ 0 0 20 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.944 104.4 44.3 -55.6 -48.3 -8.8 47.3 5.2 169 40 B I H X S+ 0 0 27 -4,-1.0 4,-2.6 -3,-0.2 -2,-0.2 0.930 113.9 49.2 -62.8 -45.8 -9.3 49.6 8.2 170 41 B K H X S+ 0 0 110 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.903 111.2 50.2 -62.2 -41.1 -13.1 49.0 8.2 171 42 B N H X S+ 0 0 12 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.913 110.9 50.0 -61.6 -42.2 -12.5 45.2 8.1 172 43 B G H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.7 48.7 -61.7 -44.9 -10.1 45.6 11.0 173 44 B E H X S+ 0 0 97 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.931 113.5 47.3 -61.1 -44.8 -12.6 47.6 13.0 174 45 B H H X S+ 0 0 93 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 113.0 47.4 -64.0 -44.7 -15.3 45.1 12.4 175 46 B L H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.823 107.2 56.2 -73.0 -28.3 -13.2 42.1 13.2 176 47 B L H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.929 109.4 47.7 -64.5 -45.1 -11.9 43.6 16.4 177 48 B S H X S+ 0 0 41 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 112.1 49.3 -57.0 -43.4 -15.5 44.0 17.5 178 49 B A H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.877 107.5 55.7 -64.4 -39.8 -16.2 40.4 16.5 179 50 B F H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.931 106.6 49.5 -57.2 -46.7 -13.2 39.3 18.5 180 51 B I H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.950 112.0 48.1 -59.9 -47.3 -14.5 41.0 21.6 181 52 B M H <>S+ 0 0 70 -4,-2.1 5,-3.0 1,-0.2 6,-0.5 0.885 110.0 53.0 -60.9 -39.5 -17.9 39.3 21.2 182 53 B Y H ><5S+ 0 0 29 -4,-2.6 3,-1.7 3,-0.2 -1,-0.2 0.917 106.3 51.5 -62.8 -42.8 -16.2 35.9 20.6 183 54 B L H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.864 110.4 50.4 -63.3 -30.9 -14.2 36.2 23.8 184 55 B K T 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 116.7-118.5 -84.6 -0.3 -17.5 36.9 25.6 185 56 B E T < 5S+ 0 0 146 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.795 79.2 125.2 66.0 33.6 -19.0 33.8 23.9 186 57 B E < + 0 0 138 -5,-3.0 2,-0.3 -6,-0.1 -4,-0.2 0.537 69.6 30.1-100.2 -13.4 -21.6 36.0 22.1 187 58 B I S S- 0 0 20 -6,-0.5 2,-0.3 -9,-0.1 -2,-0.1 -0.958 75.0-127.7-133.9 160.3 -20.8 34.8 18.5 188 59 B S > - 0 0 34 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.690 33.1-107.9 -96.2 162.9 -19.5 31.6 17.0 189 60 B L G > S+ 0 0 36 1,-0.3 3,-2.0 -2,-0.3 4,-0.3 0.800 113.7 70.8 -61.1 -30.0 -16.5 31.6 14.6 190 61 B Q G > S+ 0 0 123 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.829 85.1 70.6 -57.8 -26.3 -18.7 30.9 11.6 191 62 B E G < S+ 0 0 109 -3,-1.5 4,-0.3 1,-0.3 -1,-0.3 0.653 92.9 54.9 -70.6 -13.5 -20.0 34.5 12.0 192 63 B I G <> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.2 3,-0.3 0.523 83.2 87.9 -92.1 -3.4 -16.7 35.9 10.8 193 64 B E H <> S+ 0 0 43 -3,-1.7 4,-2.3 -4,-0.3 5,-0.2 0.849 81.4 58.6 -67.2 -32.4 -16.7 33.9 7.5 194 65 B I H > S+ 0 0 123 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.924 109.6 44.7 -56.9 -43.3 -18.7 36.6 5.7 195 66 B T H > S+ 0 0 8 -3,-0.3 4,-2.8 -4,-0.3 -2,-0.2 0.897 109.9 55.1 -71.3 -38.2 -15.9 39.1 6.5 196 67 B S H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.903 107.9 48.7 -61.0 -41.3 -13.2 36.5 5.5 197 68 B K H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.885 112.1 50.8 -65.9 -37.7 -14.8 36.1 2.1 198 69 B K H X S+ 0 0 57 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.931 110.5 47.4 -63.6 -49.8 -14.9 39.9 1.7 199 70 B I H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.937 111.0 52.7 -56.0 -48.7 -11.3 40.3 2.6 200 71 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.915 109.3 48.0 -58.0 -45.6 -10.3 37.6 0.2 201 72 B R H X S+ 0 0 116 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 112.5 49.4 -63.4 -39.6 -12.2 39.1 -2.7 202 73 B E H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 109.7 51.1 -64.4 -42.7 -10.6 42.5 -2.0 203 74 B R H X>S+ 0 0 17 -4,-2.7 5,-1.3 2,-0.2 4,-0.7 0.882 108.7 52.0 -63.3 -40.1 -7.1 41.1 -1.8 204 75 B I H ><5S+ 0 0 32 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.948 112.7 44.8 -58.5 -49.3 -7.7 39.3 -5.2 205 76 B D H 3<5S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.5 56.9 -70.6 -28.2 -8.7 42.6 -6.8 206 77 B A H 3<5S- 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