==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-APR-13 4BI3 . COMPND 2 MOLECULE: SSP1; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR V.SRIKANNATHASAN,G.ENGLISH,N.K.BUI,K.TRUNK,P.E.F.O.ROURKE,V. . 326 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 16.6 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 . 2 0.6 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 4 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 160 0, 0.0 63,-0.2 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 159.5 34.9 9.8 41.8 2 2 A K - 0 0 148 61,-0.1 2,-0.1 96,-0.0 96,-0.1 -0.964 360.0-131.8-111.7 120.8 37.5 8.0 39.6 3 3 A P - 0 0 8 0, 0.0 160,-0.4 0, 0.0 2,-0.3 -0.439 14.9-123.0 -76.4 145.2 35.9 5.5 37.1 4 4 A L > - 0 0 83 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.643 19.3-125.4 -81.6 143.7 37.2 2.0 36.8 5 5 A Y H > S+ 0 0 7 158,-3.1 4,-2.8 -2,-0.3 5,-0.2 0.918 108.0 53.2 -54.4 -48.8 38.3 1.0 33.3 6 6 A R H > S+ 0 0 192 157,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.864 113.7 41.7 -56.5 -41.3 36.1 -2.1 33.1 7 7 A Q H > S+ 0 0 111 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 112.8 52.2 -80.3 -36.6 32.9 -0.1 34.0 8 8 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.921 112.4 48.0 -60.7 -42.3 33.8 2.9 31.8 9 9 A K H >< S+ 0 0 74 -4,-2.8 3,-1.7 -5,-0.2 -2,-0.2 0.924 108.7 52.6 -63.4 -46.0 34.2 0.4 29.0 10 10 A S H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 113.9 45.2 -57.0 -30.5 30.9 -1.3 29.8 11 11 A S T 3< S+ 0 0 35 -4,-1.4 2,-0.5 -3,-0.2 -1,-0.3 0.237 96.2 94.3 -99.8 10.5 29.3 2.1 29.6 12 12 A H < - 0 0 4 -3,-1.7 2,-0.7 45,-0.1 42,-0.1 -0.921 67.5-140.2-112.2 122.4 31.0 3.2 26.4 13 13 A Y - 0 0 56 -2,-0.5 9,-0.2 40,-0.3 2,-0.2 -0.715 20.3-146.1 -80.9 114.9 29.4 2.8 23.0 14 14 A S B -a 22 0A 0 7,-2.2 9,-2.4 -2,-0.7 134,-0.1 -0.486 11.1-150.7 -75.5 147.9 32.0 1.8 20.4 15 15 A S + 0 0 56 7,-0.2 2,-0.6 -2,-0.2 133,-0.1 0.395 69.6 106.2 -95.2 -0.3 31.7 3.0 16.8 16 16 A D > - 0 0 62 131,-0.3 3,-2.1 1,-0.1 6,-0.1 -0.736 66.8-147.3 -82.3 115.2 33.5 -0.2 15.7 17 17 A Y T 3 S+ 0 0 195 -2,-0.6 5,-0.2 1,-0.3 -1,-0.1 0.816 96.8 50.8 -50.9 -38.3 30.9 -2.5 14.1 18 18 A S T 3 S+ 0 0 99 3,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.449 87.4 107.0 -86.2 -0.0 32.7 -5.7 15.3 19 19 A S S X S- 0 0 15 -3,-2.1 3,-1.6 1,-0.1 128,-0.0 -0.576 73.0-134.1 -76.4 140.0 32.9 -4.5 18.9 20 20 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.804 110.0 50.6 -58.2 -30.0 30.6 -6.2 21.5 21 21 A G T 3 S+ 0 0 26 126,-0.1 -7,-2.2 -5,-0.1 -4,-0.1 0.098 83.8 142.9 -97.1 20.9 29.8 -2.6 22.7 22 22 A Y B < +a 14 0A 86 -3,-1.6 2,-0.3 -9,-0.2 -7,-0.2 -0.295 20.1 170.9 -60.1 141.6 29.0 -1.2 19.3 23 23 A L - 0 0 46 -9,-2.4 5,-0.1 -10,-0.0 -2,-0.0 -0.897 33.6-116.8-149.4 130.8 26.2 1.4 18.8 24 24 A A >> - 0 0 19 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.295 26.7-116.9 -62.2 145.6 25.5 3.3 15.6 25 25 A A H 3> S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 115.2 55.2 -51.0 -45.8 25.9 7.1 15.8 26 26 A E H 3> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 109.0 47.8 -55.3 -42.2 22.1 7.6 15.1 27 27 A A H <> S+ 0 0 38 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.857 107.4 56.1 -69.9 -36.1 21.2 5.4 18.0 28 28 A V H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.944 113.0 40.4 -59.1 -49.3 23.7 7.2 20.4 29 29 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 3,-0.2 0.868 110.9 57.8 -70.4 -36.0 22.0 10.6 19.7 30 30 A A H ><5S+ 0 0 48 -4,-2.2 3,-1.4 3,-0.2 -1,-0.2 0.883 101.4 57.2 -58.9 -40.5 18.5 9.1 19.7 31 31 A E H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.878 109.6 44.2 -56.5 -40.7 19.2 7.8 23.3 32 32 A I T 3<5S- 0 0 3 -4,-1.1 40,-2.7 -3,-0.2 41,-0.3 0.302 128.4 -98.2 -93.1 10.5 19.9 11.4 24.4 33 33 A G T < 5S+ 0 0 26 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.762 81.9 118.1 85.8 29.8 16.9 12.8 22.5 34 34 A Y < - 0 0 34 -5,-2.7 2,-0.6 -8,-0.1 -1,-0.3 -0.949 58.9-132.8-126.1 147.1 18.4 14.0 19.2 35 35 A E >> - 0 0 139 -2,-0.3 4,-2.0 1,-0.2 3,-0.6 -0.895 17.9-148.5 -90.3 119.3 18.1 13.3 15.5 36 36 A L H 3> S+ 0 0 31 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.903 96.3 57.0 -53.0 -47.2 21.6 13.0 14.1 37 37 A D H 3> S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.853 107.5 48.8 -54.8 -38.5 20.4 14.3 10.7 38 38 A T H <> S+ 0 0 65 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.926 111.9 47.7 -68.2 -45.7 19.1 17.5 12.4 39 39 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.906 106.6 57.3 -62.5 -43.6 22.3 18.1 14.3 40 40 A L H < S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 104.5 52.7 -55.5 -39.0 24.5 17.6 11.3 41 41 A K H < S+ 0 0 185 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.855 111.3 46.3 -65.5 -36.6 22.7 20.4 9.5 42 42 A Q H < S- 0 0 134 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.888 139.6 -5.6 -71.8 -40.3 23.3 22.7 12.4 43 43 A N >< - 0 0 84 -4,-2.5 3,-2.0 -5,-0.1 -1,-0.3 -0.820 57.8-151.5-159.8 110.2 27.0 21.8 12.7 44 44 A P G > S+ 0 0 99 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.712 89.4 82.2 -61.6 -18.7 28.6 19.0 10.6 45 45 A G G > S+ 0 0 42 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.698 71.0 78.0 -55.1 -24.4 31.1 18.5 13.4 46 46 A Y G < S+ 0 0 37 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.637 75.8 76.6 -62.0 -14.5 28.4 16.3 15.2 47 47 A A G < S+ 0 0 68 -3,-2.1 2,-1.0 -4,-0.1 -1,-0.3 0.758 79.4 75.8 -66.1 -27.3 29.5 13.6 12.7 48 48 A N < + 0 0 27 -3,-1.8 3,-0.3 -4,-0.2 4,-0.2 -0.809 64.1 171.8 -85.0 104.8 32.5 13.1 14.9 49 49 A T > + 0 0 14 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.330 42.3 102.6-102.8 5.4 30.9 11.3 17.8 50 50 A C H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 86.1 44.2 -59.1 -43.6 33.8 10.2 20.0 51 51 A A H > S+ 0 0 0 32,-0.5 4,-2.7 -3,-0.3 31,-0.4 0.804 111.8 53.1 -74.9 -30.2 33.4 12.9 22.6 52 52 A V H > S+ 0 0 0 31,-0.4 4,-2.3 -4,-0.2 -2,-0.2 0.945 112.8 45.5 -64.2 -48.3 29.6 12.4 22.7 53 53 A R H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -40,-0.3 0.911 116.6 44.3 -60.2 -46.5 30.3 8.7 23.4 54 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 111.6 53.4 -67.1 -44.1 33.0 9.4 26.0 55 55 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 27,-0.3 -2,-0.2 0.920 110.1 48.5 -51.3 -48.2 30.8 12.1 27.7 56 56 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.903 110.6 49.9 -62.8 -42.9 28.0 9.6 28.0 57 57 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.891 111.6 49.5 -62.1 -41.7 30.3 6.9 29.4 58 58 A L H <>S+ 0 0 0 -4,-2.5 5,-3.3 2,-0.2 3,-0.4 0.916 111.0 49.0 -63.8 -45.0 31.6 9.4 32.0 59 59 A L H ><5S+ 0 0 22 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.915 108.6 53.9 -59.1 -43.5 28.1 10.5 33.0 60 60 A K H 3<5S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.723 110.3 46.3 -69.3 -22.5 27.0 6.8 33.4 61 61 A T T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.285 123.6-105.7-100.0 6.8 30.0 6.1 35.8 62 62 A G T < 5 + 0 0 38 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.671 64.1 155.8 85.8 20.9 29.2 9.3 37.7 63 63 A I < - 0 0 4 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.2 -0.680 36.0-133.2 -91.1 133.3 32.1 11.5 36.5 64 64 A S + 0 0 98 -2,-0.4 2,-0.3 -63,-0.2 33,-0.2 -0.621 38.8 143.1 -84.9 136.2 31.8 15.3 36.5 65 65 A F - 0 0 26 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.928 50.3-102.0-164.9 149.0 32.7 17.5 33.6 66 66 A K - 0 0 152 -2,-0.3 2,-0.3 22,-0.1 25,-0.1 -0.590 44.3-178.7 -77.4 137.6 31.4 20.7 31.9 67 67 A G - 0 0 19 -2,-0.3 15,-0.3 1,-0.1 13,-0.0 -0.839 29.8-156.0-134.0 169.9 29.3 20.1 28.8 68 68 A R S S+ 0 0 156 13,-2.0 14,-0.2 -2,-0.3 -1,-0.1 0.483 74.4 75.5-125.7 -13.0 27.5 22.2 26.2 69 69 A L E S-B 81 0B 9 12,-2.9 12,-2.6 -17,-0.0 2,-0.2 -0.909 74.2-140.6-109.5 109.9 24.9 19.8 24.7 70 70 A P E -B 80 0B 67 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.463 14.7-125.8 -70.7 133.4 21.9 19.2 27.0 71 71 A I - 0 0 3 8,-3.3 7,-2.6 5,-0.3 -38,-0.2 -0.640 25.1-174.8 -76.4 133.7 20.5 15.6 27.2 72 72 A K + 0 0 123 -40,-2.7 2,-0.3 -2,-0.3 -39,-0.2 0.414 59.0 43.3-113.0 -0.9 16.8 15.7 26.5 73 73 A K S S+ 0 0 126 -41,-0.3 3,-0.4 -42,-0.1 -1,-0.1 -0.997 90.1 13.3-149.0 144.4 15.7 12.1 27.0 74 74 A G S > S- 0 0 53 -2,-0.3 3,-1.9 1,-0.2 -42,-0.0 -0.253 103.6 -36.4 90.9-172.7 16.3 9.3 29.6 75 75 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.707 135.1 53.6 -61.4 -22.0 17.8 9.0 33.0 76 76 A Y T > S+ 0 0 72 -3,-0.4 3,-2.3 2,-0.1 -5,-0.3 0.289 74.4 141.5-100.3 9.7 20.4 11.7 32.2 77 77 A K T < S+ 0 0 140 -3,-1.9 -5,-0.2 1,-0.3 3,-0.1 -0.239 70.4 25.9 -49.0 131.5 17.9 14.3 31.0 78 78 A G T 3 S+ 0 0 61 -7,-2.6 -1,-0.3 1,-0.4 -6,-0.1 -0.002 100.1 106.1 96.7 -29.0 19.1 17.7 32.1 79 79 A K < - 0 0 113 -3,-2.3 -8,-3.3 -9,-0.1 -1,-0.4 -0.358 67.8-117.5 -77.3 167.2 22.8 16.7 32.2 80 80 A T E -B 70 0B 48 -10,-0.2 2,-0.4 -15,-0.2 -15,-0.1 -0.806 14.6-154.1-119.0 148.9 25.2 17.8 29.6 81 81 A I E -B 69 0B 0 -12,-2.6 -12,-2.9 -2,-0.3 -13,-2.0 -0.879 14.2-141.1-111.0 143.5 27.4 16.2 26.9 82 82 A E - 0 0 7 -31,-0.4 -27,-0.3 -2,-0.4 -28,-0.1 -0.939 16.3-173.8-103.2 109.9 30.6 17.7 25.5 83 83 A P + 0 0 19 0, 0.0 2,-0.5 0, 0.0 -32,-0.5 0.602 59.1 86.0 -81.1 -11.3 30.6 17.0 21.8 84 84 A G > - 0 0 22 -33,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.802 65.4-152.6 -95.1 127.0 34.1 18.3 21.1 85 85 A A H > S+ 0 0 5 46,-0.5 4,-2.5 -2,-0.5 5,-0.2 0.920 96.3 46.1 -61.7 -48.2 37.0 15.9 21.6 86 86 A K H > S+ 0 0 84 45,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.926 113.1 50.2 -61.6 -45.1 39.6 18.6 22.4 87 87 A L H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 112.3 47.4 -61.5 -39.2 37.2 20.4 24.8 88 88 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.2 51.8 -68.5 -41.0 36.5 17.2 26.6 89 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.900 107.6 53.9 -59.9 -41.3 40.2 16.3 26.8 90 90 A D H X S+ 0 0 29 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.881 107.5 51.0 -57.2 -42.4 40.7 19.8 28.3 91 91 A Q H X S+ 0 0 46 -4,-1.6 4,-0.7 2,-0.2 3,-0.3 0.924 112.2 45.2 -62.0 -49.2 38.1 19.0 31.0 92 92 A L H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 7,-0.4 0.888 109.7 57.0 -59.1 -42.5 39.8 15.7 31.9 93 93 A H H 3< S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.7 38.3 -60.5 -33.3 43.2 17.5 32.0 94 94 A R H 3< S+ 0 0 165 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.457 98.0 104.0 -98.9 -2.3 42.0 20.0 34.6 95 95 A S S- 0 0 29 51,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.983 82.1-108.2-151.9 159.7 55.6 10.7 18.6 107 107 A A H > S+ 0 0 6 -2,-0.3 4,-2.7 64,-0.2 5,-0.2 0.860 114.1 49.3 -58.0 -45.8 54.4 7.1 18.1 108 108 A P H > S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.928 113.7 46.8 -60.7 -45.1 57.3 5.4 20.0 109 109 A D H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 113.1 50.3 -61.7 -41.6 57.0 7.7 23.0 110 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.951 113.3 43.8 -61.7 -51.2 53.2 7.2 23.0 111 111 A E H X S+ 0 0 31 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.916 117.3 45.4 -63.0 -44.1 53.4 3.4 22.9 112 112 A K H < S+ 0 0 156 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.879 113.0 51.1 -65.0 -40.7 56.2 3.2 25.5 113 113 A G H < S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 115.1 41.5 -65.4 -40.8 54.4 5.8 27.8 114 114 A I H >< S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.2 -2,-0.2 0.911 86.9 152.7 -71.7 -44.3 51.2 3.8 27.6 115 115 A G T 3< S- 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 -0.267 74.8 -19.4 57.6-124.2 53.1 0.5 28.0 116 116 A N T 3 S+ 0 0 141 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.266 112.7 109.4 -99.0 11.2 51.0 -2.2 29.6 117 117 A K < - 0 0 68 -3,-2.3 2,-0.3 21,-0.1 46,-0.1 -0.253 54.1-148.0 -81.4 168.9 48.5 0.3 31.1 118 118 A K + 0 0 72 44,-0.5 44,-2.7 20,-0.2 2,-0.3 -0.947 38.5 97.0-132.4 156.8 44.9 1.0 30.2 119 119 A G E -DE 137 161C 0 18,-2.4 18,-2.7 -2,-0.3 2,-0.4 -0.982 68.5 -24.8 166.2-151.5 42.8 4.2 30.3 120 120 A V E -DE 136 160C 0 40,-2.1 40,-2.6 -2,-0.3 2,-0.4 -0.812 52.3-168.4 -97.5 134.1 41.5 7.1 28.3 121 121 A V E -DE 135 159C 0 14,-2.7 14,-2.7 -2,-0.4 2,-0.4 -0.938 9.3-164.3-122.8 144.4 43.4 8.2 25.2 122 122 A F E -DE 134 158C 0 36,-2.4 36,-2.7 -2,-0.4 2,-0.7 -0.981 6.8-157.6-129.6 119.0 43.1 11.4 23.1 123 123 A F E -DE 133 157C 0 10,-3.4 10,-2.0 -2,-0.4 2,-0.4 -0.878 19.2-158.1 -95.4 113.0 44.7 11.5 19.6 124 124 A N E + E 0 156C 16 32,-3.2 32,-1.9 -2,-0.7 31,-1.3 -0.818 63.3 0.8-102.3 131.6 45.1 15.2 18.9 125 125 A K E S- 0 0 121 -2,-0.4 30,-1.2 29,-0.2 -1,-0.2 0.983 81.5-157.8 58.5 66.0 45.4 16.6 15.3 126 126 A I E > - E 0 154C 13 -3,-0.3 3,-1.1 3,-0.3 28,-0.3 -0.515 21.8-105.4 -76.6 137.1 45.1 13.4 13.4 127 127 A T T 3 S- 0 0 15 26,-2.8 59,-0.1 1,-0.3 26,-0.1 -0.458 100.8 -3.3 -61.6 127.1 46.5 13.2 9.9 128 128 A N T 3 S+ 0 0 89 -2,-0.2 2,-0.3 57,-0.1 -1,-0.3 0.846 115.7 98.6 59.7 41.5 43.7 13.2 7.3 129 129 A Y < - 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0 0 24 -5,-2.8 2,-0.6 -8,-0.1 -1,-0.3 -0.922 56.7-133.6-124.4 149.8 59.6 25.1 3.5 199 35 B E >> - 0 0 125 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.906 15.4-148.3 -96.7 116.8 57.4 26.4 0.7 200 36 B L H 3> S+ 0 0 15 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.884 95.9 57.4 -49.2 -46.8 57.1 23.7 -2.0 201 37 B D H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 107.5 48.1 -53.2 -44.2 56.8 26.3 -4.8 202 38 B T H <> S+ 0 0 79 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.921 112.1 47.9 -65.0 -46.9 60.2 27.7 -3.9 203 39 B L H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 7,-0.2 0.897 107.1 56.6 -62.3 -42.0 61.9 24.4 -3.7 204 40 B L H < S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 105.0 52.6 -58.9 -37.4 60.5 23.3 -7.1 205 41 B K H < S+ 0 0 195 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.862 111.0 47.3 -66.3 -36.5 62.0 26.3 -8.7 206 42 B Q H < S- 0 0 129 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.885 137.7 -5.2 -68.8 -41.2 65.4 25.4 -7.2 207 43 B N >< - 0 0 83 -4,-2.5 3,-2.1 -5,-0.1 -1,-0.3 -0.816 54.8-149.4-161.0 111.7 65.1 21.8 -8.3 208 44 B P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.695 91.6 82.0 -56.6 -19.7 62.1 20.0 -10.0 209 45 B G G > S+ 0 0 42 1,-0.3 3,-1.7 2,-0.2 -5,-0.1 0.703 71.9 76.9 -57.2 -23.1 63.3 16.8 -8.2 210 46 B Y G < S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.3 -6,-0.1 0.640 75.8 76.1 -63.8 -14.9 61.5 18.1 -5.1 211 47 B A G < S+ 0 0 69 -3,-2.0 2,-0.9 -4,-0.1 -1,-0.3 0.737 80.1 76.1 -67.3 -23.9 58.2 17.0 -6.7 212 48 B N < + 0 0 25 -3,-1.7 3,-0.3 -4,-0.2 4,-0.2 -0.822 64.8 173.8 -87.9 105.5 59.2 13.5 -5.8 213 49 B T > + 0 0 14 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.355 43.3 103.0-101.0 4.5 58.4 13.6 -2.1 214 50 B C H > S+ 0 0 6 1,-0.2 4,-2.4 82,-0.2 -1,-0.2 0.877 84.0 46.3 -60.1 -39.8 58.9 10.0 -1.1 215 51 B A H > S+ 0 0 0 32,-0.5 4,-2.6 -3,-0.3 31,-0.4 0.825 110.3 52.5 -76.4 -31.9 62.3 10.5 0.6 216 52 B V H > S+ 0 0 0 31,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.931 112.7 46.5 -62.6 -44.4 61.2 13.7 2.5 217 53 B R H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -40,-0.3 0.919 115.5 44.5 -64.6 -44.7 58.2 11.6 3.8 218 54 B M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.890 110.5 55.6 -66.8 -38.8 60.5 8.7 4.7 219 55 B S H X S+ 0 0 0 -4,-2.6 4,-2.4 27,-0.3 -2,-0.2 0.927 108.6 48.1 -57.2 -46.3 63.1 11.1 6.3 220 56 B L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 110.3 51.1 -61.2 -42.1 60.4 12.5 8.5 221 57 B A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.883 110.6 49.5 -63.9 -39.8 59.2 9.0 9.6 222 58 B L H ><>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 3,-0.8 0.932 111.2 48.3 -64.4 -48.6 62.8 8.0 10.4 223 59 B L H ><5S+ 0 0 14 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.918 108.8 53.8 -57.4 -44.8 63.4 11.1 12.5 224 60 B K H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.683 111.0 47.0 -67.9 -16.3 60.1 10.6 14.4 225 61 B T T <<5S- 0 0 19 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.212 120.2-109.7-106.4 13.8 61.3 7.0 15.2 226 62 B G T < 5 + 0 0 67 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.716 65.6 149.9 71.0 24.1 64.7 8.3 16.3 227 63 B I < - 0 0 13 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.796 36.9-141.8 -92.9 127.4 66.7 6.8 13.4 228 64 B S + 0 0 109 -2,-0.5 2,-0.3 -5,-0.0 33,-0.2 -0.650 30.7 153.3 -89.8 142.3 69.8 8.8 12.5 229 65 B F - 0 0 24 -2,-0.3 2,-0.3 15,-0.1 15,-0.3 -0.970 46.3 -97.1-160.5 154.1 70.9 9.3 8.8 230 66 B K + 0 0 162 -2,-0.3 2,-0.2 21,-0.1 25,-0.1 -0.589 49.3 169.1 -73.9 137.5 72.9 11.8 6.8 231 67 B G - 0 0 15 -2,-0.3 15,-0.3 15,-0.1 13,-0.0 -0.762 34.2-145.8-138.2-175.1 70.7 14.4 4.9 232 68 B R S S+ 0 0 158 13,-2.3 14,-0.2 -2,-0.2 -2,-0.0 0.334 75.4 75.1-142.2 0.8 71.1 17.6 3.0 233 69 B L E S-H 245 0E 10 12,-2.2 12,-2.6 0, 0.0 2,-0.2 -0.919 72.9-140.4-122.7 106.1 68.0 19.8 3.7 234 70 B P E -H 244 0E 66 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.439 17.8-122.5 -69.8 130.4 68.0 21.4 7.2 235 71 B I - 0 0 6 8,-3.3 7,-2.4 5,-0.3 -38,-0.2 -0.562 24.5-173.3 -71.5 132.5 64.7 21.5 9.0 236 72 B K + 0 0 123 -40,-2.5 2,-0.3 -2,-0.3 -39,-0.2 0.455 62.5 39.6-106.5 -6.4 63.7 25.0 9.9 237 73 B K S S+ 0 0 128 -41,-0.4 3,-0.4 3,-0.0 -1,-0.1 -0.999 89.9 13.1-150.3 143.8 60.6 24.3 12.0 238 74 B G S > S- 0 0 51 -2,-0.3 3,-1.9 1,-0.2 -42,-0.0 -0.287 101.6 -31.0 92.1-170.5 59.2 21.9 14.6 239 75 B A T 3 S+ 0 0 92 1,-0.3 -1,-0.2 -134,-0.1 -134,-0.0 0.700 135.1 47.8 -58.9 -24.9 60.7 19.3 16.9 240 76 B Y T > S+ 0 0 45 -3,-0.4 3,-2.1 2,-0.1 -5,-0.3 0.184 75.5 149.0-108.3 17.8 63.4 18.3 14.5 241 77 B K T < + 0 0 149 -3,-1.9 -5,-0.2 1,-0.3 3,-0.1 -0.247 69.9 26.0 -49.8 129.5 64.7 21.8 13.7 242 78 B G T 3 S+ 0 0 62 -7,-2.4 -1,-0.3 1,-0.5 -6,-0.1 -0.093 101.2 100.1 102.0 -34.5 68.4 21.7 13.0 243 79 B K S < S- 0 0 120 -3,-2.1 -8,-3.3 -9,-0.1 -1,-0.5 -0.321 71.8-115.7 -76.3 166.5 68.3 18.1 11.8 244 80 B T E -H 234 0E 42 -15,-0.3 2,-0.3 -10,-0.2 -15,-0.1 -0.774 11.8-147.1-113.2 152.9 68.3 17.2 8.1 245 81 B I E -H 233 0E 0 -12,-2.6 -13,-2.3 -2,-0.3 -12,-2.2 -0.835 15.3-139.7-102.1 147.3 66.0 15.6 5.6 246 82 B E - 0 0 7 -31,-0.4 -27,-0.3 -2,-0.3 -28,-0.1 -0.959 16.8-174.3-104.3 111.0 67.3 13.6 2.6 247 83 B P + 0 0 19 0, 0.0 -32,-0.5 0, 0.0 2,-0.5 0.616 59.8 84.6 -80.8 -12.5 65.0 14.5 -0.3 248 84 B G > - 0 0 30 -33,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.806 66.3-151.7 -97.0 128.4 66.6 12.0 -2.7 249 85 B A H > S+ 0 0 5 46,-0.5 4,-2.4 -2,-0.5 5,-0.1 0.909 96.1 47.4 -63.7 -45.3 65.3 8.4 -2.7 250 86 B K H > S+ 0 0 83 45,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.935 113.0 48.8 -62.4 -47.5 68.6 6.8 -3.8 251 87 B L H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.879 111.9 48.9 -61.5 -39.3 70.7 8.8 -1.4 252 88 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 51.4 -64.8 -42.7 68.3 7.9 1.5 253 89 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.891 107.3 54.1 -58.9 -42.1 68.5 4.3 0.5 254 90 B D H X S+ 0 0 27 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.882 107.2 50.9 -56.5 -42.3 72.3 4.6 0.5 255 91 B Q H < S+ 0 0 26 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.919 113.0 44.4 -66.7 -42.6 72.2 5.9 4.1 256 92 B L H >< S+ 0 0 2 -4,-2.2 3,-1.0 1,-0.2 7,-0.3 0.901 110.1 56.8 -64.8 -41.1 70.0 3.0 5.3 257 93 B H H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 114.3 37.4 -60.5 -35.5 72.2 0.5 3.4 258 94 B R T 3< S+ 0 0 183 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.362 96.4 110.6 -98.7 3.5 75.3 1.6 5.2 259 95 B S <> - 0 0 24 -3,-1.0 4,-1.1 -4,-0.4 -30,-0.0 -0.435 64.5-142.1 -81.9 153.6 73.7 2.1 8.6 260 96 B S T 4 S+ 0 0 117 2,-0.2 -94,-0.1 -2,-0.1 -1,-0.1 0.730 102.0 55.8 -80.1 -26.9 74.2 -0.1 11.7 261 97 B S T 4 S+ 0 0 17 -33,-0.2 -95,-0.4 -96,-0.2 -1,-0.1 0.981 124.2 18.5 -68.0 -59.7 70.5 0.3 12.5 262 98 B F T 4 S- 0 0 4 -6,-0.2 -2,-0.2 -97,-0.1 -1,-0.1 0.831 94.4-164.0 -82.6 -36.0 69.0 -1.0 9.3 263 99 B G < - 0 0 23 -4,-1.1 -4,-0.3 -7,-0.3 2,-0.1 -0.160 45.1 -19.3 74.1-175.0 72.0 -2.9 7.9 264 100 B K - 0 0 164 -6,-0.1 2,-0.1 1,-0.1 -7,-0.1 -0.395 68.9-126.3 -67.2 135.6 72.4 -4.0 4.3 265 101 B A - 0 0 12 -12,-0.1 2,-0.5 -2,-0.1 59,-0.2 -0.425 21.1-113.6 -72.6 152.9 69.2 -4.2 2.2 266 102 B K E -I 323 0F 144 57,-2.6 57,-2.2 -2,-0.1 2,-0.5 -0.815 38.5-149.5 -80.8 129.8 68.4 -7.4 0.4 267 103 B I E -I 322 0F 57 -2,-0.5 2,-0.3 55,-0.2 55,-0.2 -0.928 15.0-171.2-115.2 122.7 68.6 -6.4 -3.3 268 104 B F E -I 321 0F 37 53,-3.0 53,-2.7 -2,-0.5 3,-0.1 -0.848 13.7-157.6-110.7 147.1 66.5 -8.0 -6.1 269 105 B F S S+ 0 0 136 -2,-0.3 2,-0.3 51,-0.2 -1,-0.1 0.321 74.0 32.7-111.0 5.6 67.1 -7.4 -9.8 270 106 B N S > S- 0 0 60 51,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.979 81.3-109.5-157.0 159.4 63.6 -8.3 -11.1 271 107 B A H > S+ 0 0 37 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.883 111.8 49.6 -63.6 -45.4 60.0 -8.1 -10.0 272 108 B P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.920 112.6 47.9 -61.3 -43.1 59.3 -11.9 -9.4 273 109 B D H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.885 113.0 50.4 -61.4 -40.2 62.4 -12.3 -7.3 274 110 B A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.945 110.3 48.0 -61.5 -50.6 61.4 -9.2 -5.3 275 111 B E H X S+ 0 0 113 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.920 116.9 42.8 -56.7 -47.0 57.9 -10.4 -4.7 276 112 B K H < S+ 0 0 154 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.881 114.0 52.1 -67.3 -39.6 59.1 -13.8 -3.6 277 113 B G H < S+ 0 0 19 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.889 116.7 37.5 -65.3 -42.7 61.9 -12.3 -1.5 278 114 B I H >< S+ 0 0 0 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.905 87.1 150.4 -74.8 -43.7 59.6 -9.9 0.4 279 115 B G T 3< S- 0 0 23 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.257 76.5 -16.6 55.7-118.0 56.9 -12.6 0.5 280 116 B N T 3 S+ 0 0 122 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.116 111.9 108.6-107.1 19.7 54.8 -12.1 3.6 281 117 B K < - 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