==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 13-FEB-13 4J7J . COMPND 2 MOLECULE: SECRETED PROTEIN ESXB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.FAN,K.TAN,G.CHHOR,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTE . 174 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 83.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 77.0 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 1 A M 0 0 244 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 135.3 8.0 21.1 43.9 2 2 A A - 0 0 84 1,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.844 360.0 -94.3-116.1 155.5 8.9 17.7 45.3 3 3 A E - 0 0 149 -2,-0.3 2,-0.4 1,-0.1 126,-0.0 -0.440 52.8-103.1 -63.5 140.0 9.4 14.3 43.5 4 4 A I - 0 0 111 -2,-0.1 2,-0.1 125,-0.1 -1,-0.1 -0.551 34.4-130.5 -75.0 123.0 6.2 12.4 43.5 5 5 A K - 0 0 162 -2,-0.4 2,-0.2 1,-0.1 5,-0.1 -0.447 25.6-106.6 -72.4 143.0 6.2 9.6 46.0 6 6 A I + 0 0 16 127,-0.3 -1,-0.1 -2,-0.1 3,-0.0 -0.501 47.4 161.4 -72.7 135.1 5.1 6.1 44.9 7 7 A T > - 0 0 32 -2,-0.2 4,-2.3 81,-0.1 5,-0.2 -0.908 55.5-100.9-140.3 166.8 1.6 4.9 46.0 8 8 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 124.7 56.7 -61.6 -33.0 -0.6 2.2 44.7 9 9 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.884 106.6 48.2 -63.5 -39.9 -2.6 4.9 43.0 10 10 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 112.6 48.0 -65.0 -44.1 0.5 6.1 41.1 11 11 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.905 112.1 49.8 -64.2 -39.7 1.4 2.6 40.1 12 12 A E H X S+ 0 0 55 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.862 108.9 52.9 -66.1 -36.5 -2.1 2.0 38.9 13 13 A R H X S+ 0 0 109 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.947 113.2 42.7 -62.2 -48.3 -2.0 5.2 36.9 14 14 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.2 55.1 -69.4 -38.6 1.2 4.2 35.2 15 15 A A H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.904 107.2 52.2 -57.7 -38.7 -0.1 0.6 34.6 16 16 A G H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.856 104.4 55.5 -67.2 -35.8 -3.1 2.2 32.9 17 17 A N H X S+ 0 0 54 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.913 109.8 46.4 -62.0 -41.9 -0.9 4.2 30.6 18 18 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 113.3 48.5 -68.0 -40.3 0.8 1.0 29.5 19 19 A K H X S+ 0 0 140 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 113.3 47.3 -64.6 -44.9 -2.5 -0.8 29.0 20 20 A N H X S+ 0 0 96 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.894 109.0 54.7 -65.1 -39.1 -3.9 2.1 27.0 21 21 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.897 105.5 53.0 -60.4 -39.8 -0.8 2.3 24.9 22 22 A A H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 110.7 47.3 -61.1 -44.0 -1.2 -1.4 24.1 23 23 A G H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.884 111.0 50.2 -63.6 -42.1 -4.8 -0.7 22.9 24 24 A E H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.881 110.1 52.0 -64.3 -36.9 -3.7 2.4 20.9 25 25 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.910 108.9 49.0 -65.8 -43.2 -1.0 0.2 19.3 26 26 A Q H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 110.8 51.2 -62.1 -41.1 -3.5 -2.4 18.3 27 27 A S H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.0 50.5 -63.2 -41.1 -5.7 0.3 16.8 28 28 A Q H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.938 110.0 46.7 -62.6 -50.1 -2.8 1.6 14.8 29 29 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 111.8 54.0 -64.2 -32.5 -1.8 -1.7 13.3 30 30 A N H X S+ 0 0 83 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.920 109.8 46.2 -64.5 -43.7 -5.4 -2.4 12.5 31 31 A R H X S+ 0 0 142 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 113.3 48.5 -65.5 -44.4 -5.8 0.9 10.6 32 32 A L H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 109.2 52.9 -65.6 -38.0 -2.5 0.4 8.7 33 33 A E H X S+ 0 0 46 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.905 106.4 54.5 -62.1 -39.3 -3.6 -3.1 7.8 34 34 A G H X S+ 0 0 35 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.899 107.0 51.0 -58.7 -42.8 -6.8 -1.6 6.4 35 35 A D H X S+ 0 0 23 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.926 110.8 47.2 -60.3 -47.5 -4.8 0.7 4.3 36 36 A I H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.926 111.0 52.7 -61.2 -44.0 -2.7 -2.1 2.9 37 37 A N H >< S+ 0 0 77 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.847 101.6 60.7 -57.0 -36.5 -5.9 -4.1 2.2 38 38 A S H 3< S+ 0 0 54 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.701 95.4 62.0 -69.5 -17.1 -7.4 -1.2 0.3 39 39 A L T XX S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.7 4,-0.5 0.615 77.2 114.4 -84.5 -12.4 -4.5 -1.4 -2.2 40 40 A E T <4 S+ 0 0 118 -3,-1.3 4,-0.1 -4,-0.4 5,-0.1 -0.392 87.1 7.2 -59.2 127.9 -5.6 -4.9 -3.2 41 41 A G T 34 S+ 0 0 51 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.518 107.7 95.5 79.3 6.7 -6.8 -5.0 -6.8 42 42 A Q T <4 S+ 0 0 66 -3,-1.8 54,-2.3 2,-0.1 55,-1.8 0.530 95.0 2.7-105.2 -14.0 -5.7 -1.4 -7.4 43 43 A W S < S- 0 0 17 -4,-0.5 -2,-0.4 52,-0.2 -1,-0.1 -0.888 104.9 -39.9-155.9-174.0 -2.3 -2.2 -8.9 44 44 A A >> - 0 0 47 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.176 48.1-125.2 -62.2 147.2 -0.2 -5.2 -10.0 45 45 A G H 3> S+ 0 0 56 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.837 110.3 55.6 -60.9 -36.7 -0.2 -8.3 -7.8 46 46 A A H 3> S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.832 108.7 49.0 -65.9 -32.8 3.6 -8.3 -7.5 47 47 A T H <> S+ 0 0 44 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.928 112.3 47.0 -71.3 -46.8 3.4 -4.8 -6.1 48 48 A Q H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 110.3 53.6 -60.7 -42.5 0.7 -5.7 -3.6 49 49 A A H X S+ 0 0 58 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.896 106.7 52.9 -59.4 -40.9 2.7 -8.8 -2.5 50 50 A K H X S+ 0 0 102 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.944 112.5 42.4 -60.5 -50.4 5.7 -6.6 -1.9 51 51 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.838 112.0 55.1 -68.3 -32.7 3.9 -4.2 0.4 52 52 A R H X S+ 0 0 53 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.926 108.3 49.4 -63.4 -42.7 2.0 -7.0 2.1 53 53 A A H X S+ 0 0 56 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.918 112.9 46.0 -62.9 -46.7 5.4 -8.6 3.0 54 54 A E H X S+ 0 0 27 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.921 112.7 51.0 -61.3 -46.2 6.8 -5.4 4.4 55 55 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.902 104.1 56.6 -60.0 -41.9 3.6 -4.7 6.3 56 56 A I H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 103.2 56.5 -59.2 -36.7 3.6 -8.2 7.9 57 57 A Q H X S+ 0 0 107 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.922 108.1 46.2 -57.6 -46.9 7.1 -7.4 9.2 58 58 A S H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.896 110.4 53.9 -63.5 -37.7 5.8 -4.4 11.0 59 59 A K H X S+ 0 0 61 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.893 106.8 52.3 -64.1 -38.5 2.9 -6.4 12.3 60 60 A Q H X S+ 0 0 109 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.892 107.8 50.0 -66.5 -38.6 5.3 -8.9 13.8 61 61 A A H >X S+ 0 0 13 -4,-1.8 4,-2.2 1,-0.2 3,-0.8 0.895 111.4 50.5 -64.1 -38.2 7.3 -6.2 15.6 62 62 A M H 3X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.850 102.4 59.2 -67.3 -35.2 4.0 -5.0 17.0 63 63 A Q H 3< S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.621 110.5 44.1 -72.5 -12.7 3.0 -8.4 18.1 64 64 A Q H S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.825 108.5 57.4 -66.0 -27.7 2.6 -8.0 25.1 68 68 A I H X S+ 0 0 33 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.929 108.1 46.7 -64.6 -42.5 5.7 -6.3 26.5 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.902 111.9 50.6 -64.0 -40.2 3.6 -3.3 27.4 70 70 A E H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.883 108.1 53.7 -66.1 -37.3 0.9 -5.5 28.9 71 71 A G H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.894 108.3 48.8 -61.0 -43.3 3.5 -7.3 31.0 72 72 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 110.6 51.6 -63.6 -43.3 4.7 -4.0 32.4 73 73 A S H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.932 111.5 47.1 -57.8 -47.2 1.1 -3.0 33.2 74 74 A T H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.912 111.6 50.4 -62.0 -43.4 0.6 -6.4 35.0 75 75 A D H X S+ 0 0 26 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.894 110.6 49.1 -65.9 -38.7 3.9 -6.0 36.9 76 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.922 112.0 48.8 -64.1 -43.2 3.0 -2.5 38.1 77 77 A K H X S+ 0 0 82 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.891 106.7 56.8 -64.1 -41.3 -0.4 -3.6 39.2 78 78 A R H X S+ 0 0 162 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.928 110.7 43.8 -53.1 -47.7 1.1 -6.6 41.1 79 79 A I H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.893 110.1 54.9 -70.0 -38.3 3.2 -4.1 43.1 80 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.938 109.8 48.1 -57.4 -45.3 0.3 -1.7 43.6 81 81 A D H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.887 109.3 52.6 -62.4 -40.7 -1.6 -4.7 45.1 82 82 A K H X S+ 0 0 122 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.925 109.5 49.5 -61.5 -42.9 1.3 -5.6 47.3 83 83 A F H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.5 48.9 -64.1 -40.6 1.5 -2.1 48.6 84 84 A R H < S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 112.7 46.8 -66.6 -35.4 -2.2 -2.0 49.4 85 85 A N H < 0 0 142 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.680 360.0 360.0 -85.0 -15.8 -2.2 -5.3 51.2 86 86 A T < 0 0 146 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.850 360.0 360.0 -97.5 360.0 0.9 -4.5 53.3 87 ! 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 88 90 A Y 0 0 197 0, 0.0 -81,-0.1 0, 0.0 -82,-0.0 0.000 360.0 360.0 360.0 360.0 3.7 4.1 51.3 89 !* 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 90 -1 B N 0 0 154 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 -2.4 -9.3 -23.5 91 0 B A - 0 0 99 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.172 360.0 -93.8 -51.0 137.1 -2.1 -5.6 -22.5 92 1 B M - 0 0 180 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.268 49.5 -99.6 -56.4 136.7 -0.7 -5.1 -19.0 93 2 B A - 0 0 83 -3,-0.1 -1,-0.1 1,-0.1 -49,-0.1 -0.489 47.4-110.6 -74.4 115.6 -3.5 -4.7 -16.5 94 3 B E - 0 0 108 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.172 20.7-114.4 -52.5 152.5 -4.1 -1.0 -15.7 95 4 B I - 0 0 77 1,-0.1 -52,-0.2 -52,-0.1 -1,-0.1 -0.712 26.2-179.2 -87.8 130.2 -3.4 0.9 -12.5 96 5 B K + 0 0 145 -54,-2.3 -53,-0.2 -2,-0.4 -1,-0.1 0.698 55.1 92.5-103.3 -25.9 -6.5 2.2 -10.7 97 6 B I - 0 0 13 -55,-1.8 -2,-0.1 -58,-0.1 -58,-0.0 -0.436 68.9-138.5 -71.1 140.2 -4.7 3.9 -7.8 98 7 B T > - 0 0 68 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.662 19.0-119.3 -95.3 156.3 -3.8 7.6 -8.1 99 8 B P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 115.5 57.3 -60.0 -37.4 -0.5 9.1 -7.0 100 9 B E H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 106.9 47.3 -61.0 -39.0 -2.5 11.3 -4.6 101 10 B E H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 110.4 51.7 -70.8 -37.5 -4.0 8.3 -2.9 102 11 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.907 110.6 50.2 -62.6 -38.4 -0.6 6.6 -2.6 103 12 B E H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.853 107.1 53.6 -70.5 -34.4 0.7 9.8 -1.0 104 13 B R H X S+ 0 0 121 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.941 112.1 44.3 -62.4 -46.7 -2.3 9.9 1.5 105 14 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 109.9 55.5 -67.0 -37.1 -1.5 6.3 2.6 106 15 B A H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.908 106.8 52.1 -58.6 -40.1 2.2 7.2 2.7 107 16 B G H X S+ 0 0 23 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.883 104.8 54.9 -62.4 -39.4 1.2 10.0 5.1 108 17 B N H X S+ 0 0 52 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.912 110.4 46.1 -62.1 -40.6 -0.7 7.5 7.3 109 18 B F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 113.5 47.6 -68.2 -41.9 2.4 5.4 7.6 110 19 B K H X S+ 0 0 128 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.923 114.6 46.9 -63.5 -44.4 4.7 8.4 8.4 111 20 B N H X S+ 0 0 101 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.890 109.4 53.7 -67.8 -37.5 2.3 9.7 10.9 112 21 B A H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.909 108.0 51.2 -60.4 -42.5 1.8 6.3 12.5 113 22 B A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.898 111.1 47.8 -62.7 -40.1 5.6 6.1 12.9 114 23 B G H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 111.4 50.1 -66.8 -44.5 5.7 9.5 14.6 115 24 B E H X S+ 0 0 114 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.884 109.2 52.5 -58.0 -41.5 2.8 8.6 16.9 116 25 B A H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 110.2 47.1 -63.6 -42.5 4.6 5.4 17.8 117 26 B Q H X S+ 0 0 80 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.904 112.1 50.3 -65.6 -40.8 7.8 7.3 18.7 118 27 B S H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.892 109.5 52.4 -63.4 -39.0 5.7 9.8 20.7 119 28 B Q H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.942 109.8 46.2 -65.4 -47.4 4.0 7.0 22.6 120 29 B I H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.868 110.0 55.9 -67.3 -30.1 7.2 5.3 23.6 121 30 B N H X S+ 0 0 84 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.915 108.3 47.3 -65.4 -41.3 8.6 8.7 24.7 122 31 B R H X S+ 0 0 130 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.927 112.6 48.9 -65.5 -43.4 5.7 9.3 27.0 123 32 B L H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 107.3 55.6 -65.5 -36.3 6.0 5.8 28.5 124 33 B E H X S+ 0 0 46 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.906 104.3 54.1 -62.1 -39.7 9.7 6.3 29.0 125 34 B G H X S+ 0 0 36 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.883 106.4 53.0 -58.6 -39.0 8.9 9.4 31.0 126 35 B D H < S+ 0 0 27 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.924 111.3 44.1 -64.8 -45.0 6.6 7.3 33.2 127 36 B I H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.920 110.8 55.7 -65.8 -42.9 9.3 4.7 33.9 128 37 B N H >< S+ 0 0 82 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.854 99.6 61.9 -52.5 -38.3 11.9 7.5 34.5 129 38 B S T 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.684 96.3 59.3 -69.3 -17.3 9.6 9.0 37.2 130 39 B L T X4 S+ 0 0 4 -3,-1.4 3,-1.9 -4,-0.5 4,-0.3 0.659 76.8 112.7 -87.0 -17.0 9.8 5.9 39.4 131 40 B E T << S+ 0 0 111 -3,-1.2 4,-0.1 -4,-0.5 5,-0.1 -0.333 85.3 12.1 -59.2 131.0 13.6 6.0 39.8 132 41 B G T 3 S+ 0 0 56 2,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.352 106.4 89.2 87.2 -6.3 14.6 6.8 43.4 133 42 B Q S < S+ 0 0 50 -3,-1.9 -127,-0.3 2,-0.1 2,-0.3 0.397 99.3 13.1-104.0 0.8 11.1 6.2 44.7 134 43 B W S S- 0 0 34 -4,-0.3 -2,-0.5 1,-0.0 5,-0.1 -0.939 106.8 -45.6-159.3 177.9 11.8 2.5 45.3 135 44 B A > - 0 0 63 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.113 47.0-127.0 -53.8 144.1 14.6 -0.1 45.4 136 45 B G H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.821 109.7 57.6 -63.2 -31.7 17.2 0.1 42.6 137 46 B A H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 106.9 48.0 -66.3 -38.2 16.6 -3.6 41.8 138 47 B T H > S+ 0 0 42 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.935 112.5 48.1 -66.3 -47.4 12.9 -3.0 41.2 139 48 B Q H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 109.0 55.0 -58.9 -41.3 13.6 0.0 39.0 140 49 B A H X S+ 0 0 56 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.884 104.9 52.8 -61.5 -41.0 16.2 -2.0 37.1 141 50 B K H X S+ 0 0 88 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.928 113.1 43.7 -59.5 -45.4 13.6 -4.8 36.4 142 51 B F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 111.3 53.5 -70.5 -35.9 11.2 -2.2 34.9 143 52 B R H X S+ 0 0 62 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.916 110.2 48.6 -62.9 -41.3 14.0 -0.4 33.0 144 53 B A H X S+ 0 0 54 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 111.8 47.9 -65.4 -44.7 14.9 -3.8 31.4 145 54 B E H X S+ 0 0 30 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.923 113.2 49.1 -59.3 -46.1 11.3 -4.6 30.5 146 55 B F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.911 105.7 55.8 -64.3 -41.2 10.9 -1.1 29.0 147 56 B I H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.888 103.1 57.1 -58.4 -38.2 14.1 -1.4 27.0 148 57 B Q H X S+ 0 0 111 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.907 106.8 48.3 -55.5 -42.0 12.7 -4.6 25.4 149 58 B S H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.880 109.7 53.1 -68.7 -36.6 9.6 -2.6 24.3 150 59 B K H X S+ 0 0 55 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.887 106.7 52.3 -61.8 -40.5 12.0 0.1 22.9 151 60 B Q H X S+ 0 0 110 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.903 108.7 49.9 -67.0 -38.3 13.9 -2.5 20.9 152 61 B A H >X S+ 0 0 10 -4,-1.8 4,-2.1 1,-0.2 3,-0.7 0.895 111.5 49.0 -63.3 -39.6 10.6 -3.8 19.4 153 62 B M H 3X S+ 0 0 6 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.848 103.5 60.2 -71.3 -31.0 9.7 -0.2 18.5 154 63 B Q H 3< S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.692 109.2 44.3 -70.0 -18.3 13.1 0.3 16.9 155 64 B Q H S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.826 109.8 54.6 -63.9 -28.6 11.9 1.9 10.2 159 68 B I H X S+ 0 0 35 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.942 109.6 46.6 -65.6 -46.2 9.6 -0.6 8.6 160 69 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.915 112.9 49.4 -60.8 -42.4 6.8 1.9 8.6 161 70 B E H X S+ 0 0 70 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.876 109.4 52.6 -66.5 -36.2 9.1 4.6 7.3 162 71 B G H X S+ 0 0 28 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.907 110.1 47.6 -62.8 -43.2 10.2 2.3 4.5 163 72 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 111.5 50.8 -62.7 -46.4 6.6 1.6 3.5 164 73 B S H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.935 113.9 44.4 -55.2 -48.4 5.8 5.3 3.5 165 74 B T H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 110.6 53.1 -69.8 -37.5 8.8 6.1 1.3 166 75 B D H X S+ 0 0 33 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.897 109.5 50.5 -64.3 -39.1 8.2 3.2 -1.1 167 76 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 111.8 46.9 -61.7 -45.1 4.6 4.4 -1.5 168 77 B K H X S+ 0 0 105 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.873 108.8 55.1 -65.3 -37.1 5.9 8.0 -2.3 169 78 B R H X S+ 0 0 149 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.898 111.6 44.4 -64.9 -37.6 8.5 6.6 -4.7 170 79 B I H X S+ 0 0 35 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.913 110.7 53.1 -72.4 -42.9 5.8 4.8 -6.6 171 80 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.912 110.2 49.3 -55.5 -43.6 3.4 7.8 -6.6 172 81 B D H X S+ 0 0 94 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.879 111.6 48.4 -63.2 -40.5 6.2 10.0 -8.0 173 82 B K H < S+ 0 0 154 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.903 113.3 47.1 -67.7 -42.6 6.9 7.4 -10.7 174 83 B F H < S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.5 47.3 -63.6 -41.8 3.2 7.2 -11.6 175 84 B R H < 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.927 360.0 360.0 -71.4 -46.7 2.8 10.9 -11.7 176 85 B N < 0 0 147 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.089 360.0 360.0-101.9 360.0 5.8 11.8 -13.8