==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-JAN-13 4IYH . 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 . 322 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 86.6 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 75.5 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 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 4 A I 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.9 -24.2 -1.1 -25.9 2 5 A K - 0 0 103 132,-0.0 2,-0.3 2,-0.0 128,-0.0 -0.997 360.0-122.7-146.4 145.3 -20.6 -2.0 -26.4 3 6 A I - 0 0 21 -2,-0.3 131,-0.1 127,-0.1 130,-0.1 -0.646 20.8-166.1 -96.3 134.4 -17.6 -1.9 -24.1 4 7 A T > - 0 0 44 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.760 34.9-115.5-110.5 159.7 -14.3 0.0 -24.7 5 8 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.839 119.1 58.4 -62.5 -29.8 -11.0 -0.3 -22.9 6 9 A E H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.909 104.4 50.4 -62.8 -42.6 -11.6 3.2 -21.7 7 10 A E H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 111.1 47.7 -60.5 -45.9 -14.8 2.1 -20.0 8 11 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.827 106.9 58.1 -65.8 -32.7 -13.1 -0.8 -18.3 9 12 A E H X S+ 0 0 53 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.885 105.9 49.2 -63.9 -40.9 -10.3 1.5 -17.1 10 13 A R H X S+ 0 0 164 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.934 114.0 44.6 -63.2 -47.3 -12.9 3.7 -15.4 11 14 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.899 110.4 55.7 -63.6 -41.2 -14.5 0.7 -13.6 12 15 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.899 105.0 53.0 -58.2 -41.7 -11.1 -0.7 -12.8 13 16 A G H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.889 108.1 49.9 -60.1 -41.6 -10.2 2.6 -11.1 14 17 A N H X S+ 0 0 61 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.849 110.3 51.6 -64.7 -34.5 -13.4 2.3 -9.0 15 18 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.931 108.3 49.7 -67.9 -47.8 -12.4 -1.3 -8.1 16 19 A K H X S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.887 111.9 50.7 -57.3 -40.2 -8.9 -0.2 -7.0 17 20 A N H X S+ 0 0 100 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.909 111.2 46.5 -65.0 -43.5 -10.6 2.5 -4.9 18 21 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.905 115.7 46.3 -66.3 -41.0 -13.0 -0.0 -3.3 19 22 A A H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 112.1 50.3 -67.8 -41.9 -10.1 -2.4 -2.6 20 23 A G H X S+ 0 0 27 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.833 107.2 54.4 -65.7 -33.7 -7.8 0.3 -1.2 21 24 A E H X S+ 0 0 103 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.869 108.7 49.3 -67.7 -36.1 -10.5 1.5 1.1 22 25 A A H X S+ 0 0 3 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.941 109.8 50.6 -64.8 -48.8 -10.8 -2.1 2.4 23 26 A Q H X S+ 0 0 57 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 108.0 55.8 -53.3 -41.5 -7.0 -2.2 2.9 24 27 A S H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.918 108.6 44.3 -59.5 -48.3 -7.3 1.0 4.8 25 28 A Q H X S+ 0 0 29 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.852 110.1 55.5 -70.3 -33.6 -9.8 -0.2 7.3 26 29 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.946 110.5 46.0 -61.4 -46.8 -7.9 -3.5 7.8 27 30 A N H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 111.7 52.1 -61.1 -40.2 -4.8 -1.5 8.7 28 31 A R H X S+ 0 0 60 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.931 113.3 43.3 -63.1 -45.7 -6.8 0.8 11.0 29 32 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.888 112.3 52.1 -68.6 -41.1 -8.3 -2.1 12.9 30 33 A E H X S+ 0 0 29 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.899 107.8 53.5 -63.7 -40.1 -5.0 -4.0 13.1 31 34 A G H X S+ 0 0 31 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.927 108.7 49.5 -55.2 -47.6 -3.4 -0.9 14.5 32 35 A D H X S+ 0 0 34 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.935 113.3 45.5 -57.2 -49.3 -6.1 -0.7 17.2 33 36 A I H >X S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.2 4,-0.6 0.936 111.9 53.1 -59.1 -46.8 -5.6 -4.4 18.0 34 37 A N H >< S+ 0 0 83 -4,-3.2 3,-1.1 1,-0.3 4,-0.4 0.866 102.4 56.8 -58.1 -40.6 -1.8 -3.9 18.1 35 38 A S H 3< S+ 0 0 63 -4,-2.3 -1,-0.3 1,-0.2 4,-0.2 0.673 103.0 57.4 -68.0 -16.0 -2.0 -1.0 20.5 36 39 A L H X< S+ 0 0 2 -3,-1.3 3,-1.0 -4,-0.7 4,-0.4 0.658 82.7 83.8 -84.9 -19.8 -3.8 -3.2 23.0 37 40 A E G X< S+ 0 0 66 -3,-1.1 3,-0.8 -4,-0.6 -1,-0.2 0.874 89.5 50.4 -56.2 -41.0 -1.1 -5.9 23.2 38 41 A G G 3 S+ 0 0 81 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.775 119.4 35.8 -66.6 -27.2 0.9 -4.0 25.8 39 42 A Q G < S+ 0 0 98 -3,-1.0 2,-2.8 -4,-0.2 3,-0.2 0.125 72.6 130.7-118.6 20.8 -2.1 -3.4 28.1 40 43 A W < + 0 0 48 -3,-0.8 -3,-0.1 -4,-0.4 -1,-0.1 -0.395 49.6 98.8 -73.3 69.0 -4.0 -6.7 27.6 41 44 A A S S- 0 0 71 -2,-2.8 -1,-0.2 0, 0.0 -2,-0.1 0.663 78.5 -14.1-120.5 -87.9 -4.4 -7.2 31.3 42 45 A G S >> S+ 0 0 49 -3,-0.2 3,-1.0 3,-0.1 4,-0.9 0.756 123.2 3.7 -97.1-105.6 -7.3 -6.4 33.6 43 46 A A H 3> S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.749 121.2 71.3 -58.0 -26.8 -10.3 -4.2 32.8 44 47 A T H 3> S+ 0 0 29 -5,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 94.1 52.2 -56.0 -46.8 -9.0 -3.9 29.3 45 48 A Q H <4 S+ 0 0 82 -3,-1.0 4,-0.4 1,-0.2 3,-0.3 0.921 113.1 42.8 -59.1 -48.1 -9.8 -7.5 28.4 46 49 A A H >< S+ 0 0 77 -4,-0.9 3,-0.7 1,-0.2 4,-0.3 0.851 110.8 58.0 -65.8 -34.4 -13.4 -7.3 29.5 47 50 A K H 3< S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.799 114.8 33.7 -69.4 -29.7 -13.8 -3.8 27.9 48 51 A F T 3X S+ 0 0 22 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.251 83.5 108.0-113.6 12.2 -12.9 -5.0 24.4 49 52 A R H <> S+ 0 0 116 -3,-0.7 4,-1.8 -4,-0.4 -1,-0.1 0.876 82.3 48.2 -56.6 -41.7 -14.3 -8.5 24.5 50 53 A G H > S+ 0 0 17 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.932 110.3 49.4 -67.4 -47.5 -17.2 -7.6 22.2 51 54 A E H > S+ 0 0 31 1,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.865 110.1 53.2 -58.5 -38.1 -15.0 -5.8 19.6 52 55 A F H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.898 108.6 48.5 -66.7 -41.7 -12.7 -8.8 19.6 53 56 A I H X S+ 0 0 22 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.929 114.5 46.1 -60.6 -47.1 -15.5 -11.2 18.9 54 57 A Q H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.926 112.4 50.5 -61.4 -47.3 -16.8 -9.0 16.0 55 58 A S H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.917 110.8 48.2 -60.4 -47.4 -13.3 -8.6 14.6 56 59 A K H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.939 113.4 46.8 -59.6 -49.2 -12.6 -12.3 14.5 57 60 A Q H X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.882 116.5 43.5 -61.7 -41.5 -15.9 -13.2 12.9 58 61 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.962 116.2 45.0 -70.1 -51.4 -15.7 -10.5 10.2 59 62 A X H X S+ 0 0 5 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.892 111.8 53.2 -62.3 -40.6 -12.0 -11.0 9.3 60 63 A Q H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.898 113.9 41.2 -62.0 -42.7 -12.3 -14.7 9.2 61 64 A Q H X S+ 0 0 16 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.759 112.1 54.8 -78.8 -27.6 -15.3 -14.7 6.8 62 65 A Y H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.766 93.0 73.5 -78.5 -26.2 -13.9 -11.9 4.6 63 66 A I H X S+ 0 0 24 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.948 99.3 40.9 -51.2 -59.3 -10.6 -13.8 3.9 64 67 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.812 112.5 56.3 -67.8 -26.6 -11.9 -16.4 1.5 65 68 A I H X S+ 0 0 8 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.947 109.4 46.1 -63.5 -48.2 -14.1 -13.9 -0.2 66 69 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 111.6 52.6 -58.3 -40.5 -11.0 -11.8 -0.9 67 70 A E H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.840 106.6 52.7 -65.7 -34.4 -9.2 -14.9 -2.0 68 71 A G H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.863 108.1 52.4 -67.3 -37.2 -12.0 -15.7 -4.4 69 72 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.957 111.1 43.9 -62.2 -52.2 -11.7 -12.2 -5.9 70 73 A S H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.888 114.1 51.3 -66.3 -35.5 -8.0 -12.4 -6.5 71 74 A T H X S+ 0 0 88 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 112.3 46.1 -62.9 -46.0 -8.4 -15.9 -8.0 72 75 A D H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.917 116.1 45.2 -61.8 -46.7 -11.1 -14.7 -10.3 73 76 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.867 110.5 53.8 -68.7 -37.4 -9.1 -11.7 -11.4 74 77 A K H X S+ 0 0 101 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.940 109.7 48.2 -59.7 -47.6 -5.9 -13.7 -11.8 75 78 A R H X S+ 0 0 80 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.856 114.0 46.6 -63.6 -35.8 -7.7 -16.1 -14.1 76 79 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.925 112.5 48.5 -73.9 -44.3 -9.2 -13.2 -16.1 77 80 A A H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.893 109.2 54.7 -60.3 -40.1 -5.9 -11.4 -16.4 78 81 A D H < S+ 0 0 52 -4,-2.8 3,-0.4 -5,-0.2 -1,-0.2 0.877 105.8 53.8 -58.6 -38.1 -4.4 -14.6 -17.5 79 82 A K H < S+ 0 0 101 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 96.0 63.7 -63.4 -46.6 -7.0 -14.8 -20.2 80 83 A F H < 0 0 31 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.830 360.0 360.0 -49.9 -34.4 -6.2 -11.4 -21.6 81 84 A R < 0 0 202 -4,-1.0 -1,-0.1 -3,-0.4 32,-0.0 -0.680 360.0 360.0 -73.2 360.0 -2.8 -12.9 -22.3 82 !* 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 83 5 B K 0 0 206 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.2 -10.3 -16.7 24.9 84 6 B I - 0 0 13 -35,-0.1 -32,-0.1 4,-0.0 -31,-0.1 -0.771 360.0-166.0 -89.4 124.1 -9.5 -14.4 22.0 85 7 B T > - 0 0 38 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.655 34.5-115.9-104.2 161.1 -6.1 -12.6 22.4 86 8 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.831 115.8 61.5 -61.5 -28.3 -4.7 -9.6 20.5 87 9 B E H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.915 104.8 43.8 -64.9 -45.9 -2.0 -12.0 19.3 88 10 B E H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.4 51.8 -67.7 -38.5 -4.5 -14.3 17.5 89 11 B L H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.883 106.4 56.6 -62.3 -36.0 -6.3 -11.3 16.0 90 12 B E H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 107.3 45.9 -60.8 -48.6 -3.0 -10.0 14.8 91 13 B R H X S+ 0 0 155 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.891 114.5 48.8 -64.2 -36.8 -2.2 -13.2 12.8 92 14 B I H X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 111.1 49.8 -64.1 -48.4 -5.7 -13.2 11.4 93 15 B A H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.881 107.7 56.0 -56.5 -39.0 -5.4 -9.5 10.5 94 16 B G H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.918 108.1 46.1 -60.3 -46.6 -2.1 -10.4 8.8 95 17 B N H X S+ 0 0 97 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.856 111.7 53.4 -64.6 -33.7 -3.7 -12.9 6.6 96 18 B F H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.903 107.3 49.9 -66.8 -42.4 -6.5 -10.5 5.8 97 19 B K H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 112.2 49.7 -59.8 -45.0 -4.0 -7.8 4.8 98 20 B N H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 110.3 48.5 -60.9 -46.0 -2.3 -10.4 2.6 99 21 B A H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.908 114.8 45.2 -64.3 -41.5 -5.6 -11.5 0.9 100 22 B A H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.883 112.1 52.8 -67.9 -37.4 -6.6 -7.9 0.3 101 23 B G H X S+ 0 0 27 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.874 107.8 50.4 -65.5 -38.9 -3.1 -7.1 -1.0 102 24 B E H X S+ 0 0 97 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.838 109.7 51.2 -68.4 -34.8 -3.2 -10.0 -3.5 103 25 B A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.933 110.2 48.7 -66.0 -45.2 -6.6 -8.8 -4.7 104 26 B Q H X S+ 0 0 28 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.847 109.4 55.1 -62.5 -33.8 -5.2 -5.3 -5.2 105 27 B S H X S+ 0 0 61 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.920 108.5 46.6 -63.9 -45.0 -2.3 -6.9 -7.1 106 28 B Q H X S+ 0 0 21 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.879 109.7 52.2 -70.1 -37.3 -4.5 -8.7 -9.5 107 29 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.872 108.9 52.2 -64.7 -34.0 -6.7 -5.7 -10.3 108 30 B N H X S+ 0 0 76 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.923 110.3 48.6 -64.8 -42.8 -3.4 -3.8 -11.0 109 31 B R H X S+ 0 0 72 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.944 113.8 45.5 -55.8 -53.2 -2.4 -6.6 -13.4 110 32 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.891 112.3 50.4 -63.3 -42.2 -5.8 -6.5 -15.1 111 33 B E H X S+ 0 0 36 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.898 107.4 54.6 -63.8 -41.1 -5.9 -2.7 -15.4 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154 76 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.859 111.7 56.4 -60.8 -36.7 -14.6 -2.9 9.4 155 77 B K H X S+ 0 0 105 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.910 106.0 49.4 -61.5 -43.8 -14.9 0.9 9.8 156 78 B R H X S+ 0 0 53 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.893 112.7 48.1 -64.1 -38.4 -17.9 0.5 12.2 157 79 B I H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.941 111.6 48.1 -67.2 -47.1 -15.9 -2.0 14.3 158 80 B A H 3< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.734 105.6 61.3 -64.9 -23.9 -12.8 0.1 14.4 159 81 B D H >< S+ 0 0 55 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.816 93.6 62.0 -71.5 -31.2 -15.0 3.1 15.4 160 82 B K T << S+ 0 0 108 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.707 95.1 65.8 -65.4 -17.3 -16.1 1.2 18.6 161 83 B F T 3 0 0 32 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.618 360.0 360.0 -81.7 -14.7 -12.4 1.3 19.5 162 84 B R < 0 0 223 -3,-1.6 -3,-0.0 -4,-0.2 0, 0.0 -0.496 360.0 360.0 -70.0 360.0 -12.4 5.1 19.8 163 !* 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 0.0 164 5 C K 0 0 188 0, 0.0 2,-0.4 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 146.7 -26.9 -5.7 25.7 165 6 C I - 0 0 29 128,-0.0 132,-0.1 4,-0.0 131,-0.1 -0.802 360.0-164.7 -99.1 129.8 -28.2 -8.1 23.1 166 7 C T > - 0 0 48 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.702 33.4-115.6-105.9 160.1 -31.6 -9.9 23.6 167 8 C P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.825 118.2 59.1 -62.5 -29.4 -33.0 -12.9 21.7 168 9 C E H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 103.6 50.2 -64.2 -43.8 -35.7 -10.6 20.5 169 10 C E H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 112.0 47.4 -58.9 -44.2 -33.1 -8.4 18.9 170 11 C L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.822 106.9 57.0 -70.8 -30.5 -31.5 -11.3 17.2 171 12 C E H X S+ 0 0 54 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.894 106.5 50.8 -66.1 -38.6 -34.9 -12.6 16.0 172 13 C R H X S+ 0 0 187 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.929 114.0 42.6 -61.5 -49.0 -35.4 -9.3 14.3 173 14 C I H X S+ 0 0 9 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.897 110.9 56.5 -66.0 -42.0 -32.0 -9.4 12.5 174 15 C A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.875 105.2 52.6 -57.2 -39.5 -32.6 -13.1 11.7 175 16 C G H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.906 108.3 49.5 -62.9 -42.8 -35.8 -12.2 10.0 176 17 C N H X S+ 0 0 82 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.823 110.5 52.1 -63.8 -32.8 -33.9 -9.6 7.9 177 18 C F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 108.8 48.2 -70.0 -46.4 -31.4 -12.2 7.1 178 19 C K H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.890 111.9 52.1 -59.6 -39.7 -34.1 -14.7 5.9 179 20 C N H X S+ 0 0 101 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 110.3 46.8 -61.9 -45.1 -35.5 -11.9 3.9 180 21 C A H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.896 114.9 46.4 -67.4 -39.4 -32.2 -11.2 2.2 181 22 C A H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 112.1 51.2 -67.2 -41.3 -31.5 -14.8 1.5 182 23 C G H X S+ 0 0 24 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.885 107.2 52.5 -63.4 -40.8 -35.1 -15.4 0.2 183 24 C E H X S+ 0 0 104 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.1 50.8 -63.7 -37.2 -34.8 -12.4 -2.2 184 25 C A H X S+ 0 0 4 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.942 109.5 50.1 -62.6 -47.4 -31.5 -13.9 -3.5 185 26 C Q H X S+ 0 0 56 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.876 107.3 56.0 -57.9 -39.5 -33.3 -17.3 -4.1 186 27 C S H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.937 109.4 44.4 -59.8 -48.3 -36.0 -15.5 -5.9 187 28 C Q H X S+ 0 0 25 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.855 110.9 53.4 -68.7 -35.1 -33.7 -13.9 -8.4 188 29 C I H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.943 111.0 47.7 -62.6 -44.4 -31.7 -17.2 -8.9 189 30 C N H X S+ 0 0 84 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.876 111.3 51.6 -61.2 -38.1 -35.0 -18.8 -9.7 190 31 C R H X S+ 0 0 80 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 112.5 43.9 -65.4 -48.7 -35.9 -16.0 -12.0 191 32 C L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.896 111.8 52.9 -65.4 -41.1 -32.6 -16.2 -14.0 192 33 C E H X S+ 0 0 28 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.882 107.3 53.3 -62.8 -38.1 -32.7 -20.0 -14.1 193 34 C G H X S+ 0 0 31 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.898 109.2 48.7 -60.3 -42.9 -36.2 -19.8 -15.6 194 35 C D H X S+ 0 0 41 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.906 114.3 45.4 -63.1 -43.8 -35.0 -17.4 -18.3 195 36 C I H >X S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 4,-0.7 0.942 112.0 52.0 -63.2 -49.6 -32.0 -19.7 -19.1 196 37 C N H >< S+ 0 0 86 -4,-3.2 3,-1.1 1,-0.3 4,-0.5 0.875 104.2 56.7 -53.5 -41.3 -34.3 -22.8 -19.1 197 38 C S H 3< S+ 0 0 73 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.659 102.5 57.8 -70.6 -14.4 -36.7 -21.1 -21.5 198 39 C L H X< S+ 0 0 5 -3,-1.5 3,-0.7 -4,-0.5 4,-0.3 0.663 82.7 82.0 -87.2 -19.6 -33.8 -20.6 -24.0 199 40 C E G X< S+ 0 0 62 -3,-1.1 3,-1.3 -4,-0.7 -1,-0.2 0.911 89.8 51.5 -56.0 -46.5 -32.8 -24.3 -24.3 200 41 C G G 3 S+ 0 0 83 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.761 118.4 35.2 -62.7 -29.5 -35.6 -25.1 -26.9 201 42 C Q G < S+ 0 0 105 -3,-0.7 2,-2.7 -4,-0.3 3,-0.3 0.105 75.1 131.4-114.7 20.9 -34.7 -22.2 -29.2 202 43 C W < + 0 0 48 -3,-1.3 -3,-0.1 -4,-0.3 -1,-0.1 -0.393 47.1 99.9 -73.5 69.5 -31.0 -22.2 -28.8 203 44 C A S S- 0 0 69 -2,-2.7 -1,-0.2 0, 0.0 -2,-0.1 0.706 78.2 -15.0-120.8 -86.0 -30.3 -22.2 -32.5 204 45 C G S >> S+ 0 0 48 -3,-0.3 3,-1.1 3,-0.1 4,-0.9 0.714 123.1 4.7 -99.8-105.9 -29.5 -19.2 -34.8 205 46 C A H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.775 120.0 71.5 -54.8 -31.2 -29.8 -15.5 -33.9 206 47 C T H 3> S+ 0 0 28 -5,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 94.2 54.1 -54.8 -44.1 -30.8 -16.5 -30.4 207 48 C Q H <4 S+ 0 0 88 -3,-1.1 3,-0.4 1,-0.2 4,-0.4 0.966 112.5 40.1 -53.9 -61.5 -27.3 -17.6 -29.6 208 49 C A H >< S+ 0 0 72 -4,-0.9 3,-0.8 1,-0.2 4,-0.4 0.840 112.7 58.5 -58.4 -35.0 -25.6 -14.3 -30.6 209 50 C K H 3< S+ 0 0 153 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.872 113.8 34.2 -65.7 -39.7 -28.4 -12.3 -29.1 210 51 C F T 3X S+ 0 0 27 -4,-1.8 4,-1.6 -3,-0.4 -1,-0.2 0.206 84.6 108.4-105.5 14.8 -28.0 -13.7 -25.6 211 52 C R H <> S+ 0 0 118 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.2 0.914 79.9 49.4 -55.9 -46.3 -24.2 -14.1 -25.6 212 53 C G H > S+ 0 0 18 -4,-0.4 4,-2.3 -3,-0.3 3,-0.2 0.934 108.9 49.1 -62.2 -51.1 -23.6 -11.2 -23.3 213 54 C E H > S+ 0 0 13 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.812 109.4 55.4 -58.8 -31.4 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360.0 360.0 -74.1 -58.5 -26.8 -26.0 21.4 244 85 C N < 0 0 159 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.0 0.482 360.0 360.0 -80.4 360.0 -23.5 -27.5 22.5 245 !* 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 0.0 246 5 D K 0 0 184 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.2 -19.2 -21.7 -26.1 247 6 D I - 0 0 13 -36,-0.1 -33,-0.1 4,-0.1 -32,-0.1 -0.631 360.0-166.6 -78.4 122.3 -21.5 -21.3 -23.1 248 7 D T > - 0 0 37 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.660 34.4-114.0-104.4 160.9 -24.7 -23.2 -23.5 249 8 D P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.860 118.2 58.2 -58.1 -34.5 -28.0 -23.0 -21.6 250 9 D E H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.871 103.7 50.1 -64.5 -40.0 -27.3 -26.5 -20.3 251 10 D E H > S+ 0 0 47 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 112.7 47.7 -61.6 -43.7 -24.0 -25.4 -18.8 252 11 D L H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.838 105.3 60.3 -68.1 -32.8 -25.8 -22.6 -17.1 253 12 D E H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.916 105.9 45.5 -61.8 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52.1 -69.3 -38.0 -28.6 -20.6 -1.4 264 23 D G H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.892 107.6 52.2 -64.9 -39.8 -31.0 -23.2 -0.0 265 24 D E H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.856 108.7 50.9 -65.0 -36.0 -28.4 -24.5 2.4 266 25 D A H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.926 110.3 48.6 -67.6 -44.4 -27.8 -21.0 3.6 267 26 D Q H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.845 109.5 55.4 -61.2 -34.7 -31.5 -20.5 4.2 268 27 D S H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.959 108.9 45.0 -62.6 -50.1 -31.6 -23.8 6.0 269 28 D Q H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.867 111.0 52.1 -68.0 -36.4 -28.9 -22.8 8.4 270 29 D I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.900 108.9 52.2 -65.1 -37.2 -30.4 -19.4 9.2 271 30 D N H X S+ 0 0 75 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.889 109.6 49.1 -62.1 -38.6 -33.6 -21.2 9.9 272 31 D R H X S+ 0 0 76 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.919 113.1 47.9 -62.9 -44.6 -31.7 -23.4 12.3 273 32 D L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.3 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-1,-0.2 0.952 112.9 40.7 -56.0 -61.1 -20.3 -14.3 23.3 295 54 D E H > S+ 0 0 33 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.774 113.0 57.7 -65.9 -25.3 -22.4 -16.2 20.8 296 55 D F H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.964 109.5 42.7 -65.1 -53.7 -24.9 -13.4 20.7 297 56 D I H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 117.5 48.4 -57.6 -43.9 -22.3 -10.8 19.6 298 57 D Q H X S+ 0 0 44 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.936 112.9 45.7 -62.8 -49.2 -20.8 -13.3 17.2 299 58 D S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.886 111.1 53.4 -64.7 -39.8 -24.2 -14.3 15.6 300 59 D K H X S+ 0 0 51 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.922 111.6 46.0 -59.3 -44.9 -25.2 -10.7 15.4 301 60 D Q H X S+ 0 0 8 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.940 110.4 53.2 -62.6 -48.6 -22.0 -9.8 13.5 302 61 D A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.897 115.3 40.4 -54.5 -44.5 -22.3 -12.9 11.2 303 62 D X H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 3,-0.3 0.936 115.3 49.9 -72.7 -46.1 -25.9 -11.8 10.2 304 63 D Q H < S+ 0 0 78 -4,-2.7 -2,-0.2 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-1,-0.3 -3,-0.5 -2,-0.2 0.790 360.0 360.0 -78.8 -28.1 -33.7 -10.9 -20.7 325 84 D R << 0 0 141 -3,-0.7 -2,-0.1 -4,-0.6 -3,-0.1 0.775 360.0 360.0 -80.4 360.0 -36.9 -8.8 -20.5