==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-MAR-05 1Z5A . COMPND 2 MOLECULE: TYPE II DNA TOPOISOMERASE VI SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SHIBATAE; . AUTHOR K.D.CORBETT,J.M.BERGER . 926 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 2 4 1 2 1 4 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 6 2 4 2 4 2 2 2 2 2 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 0 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 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 K 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.4 13.9 7.7 66.7 2 5 A E - 0 0 27 560,-0.0 2,-0.5 2,-0.0 560,-0.1 -0.598 360.0-157.3 -65.0 132.3 14.4 11.2 68.1 3 6 A K - 0 0 121 558,-0.4 2,-0.4 -2,-0.3 560,-0.3 -0.975 6.6-140.1-119.3 131.4 12.3 13.7 66.1 4 7 A F + 0 0 40 -2,-0.5 2,-0.3 558,-0.1 557,-0.2 -0.722 29.8 157.8 -96.4 134.8 13.3 17.4 66.1 5 8 A T E -A 560 0A 68 555,-2.2 555,-2.2 -2,-0.4 2,-0.3 -0.946 27.4-135.5-146.2 164.6 10.7 20.2 66.2 6 9 A S E -A 559 0A 45 -2,-0.3 2,-0.3 553,-0.2 553,-0.2 -0.791 13.0-146.5-117.7 164.4 10.5 23.8 67.2 7 10 A L - 0 0 24 551,-1.6 139,-0.1 -2,-0.3 -2,-0.0 -0.949 14.0-125.3-124.6 152.4 7.9 25.7 69.2 8 11 A S > - 0 0 18 -2,-0.3 4,-2.0 137,-0.2 3,-0.2 -0.512 38.3-102.7 -80.7 162.8 6.6 29.3 68.9 9 12 A P H > S+ 0 0 17 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.815 122.4 53.8 -57.1 -32.8 6.7 31.4 72.1 10 13 A A H > S+ 0 0 0 135,-0.3 4,-2.2 2,-0.2 5,-0.2 0.892 108.9 47.0 -69.1 -40.5 2.9 30.9 72.6 11 14 A E H > S+ 0 0 33 134,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.849 108.6 57.7 -68.2 -36.0 3.2 27.1 72.5 12 15 A F H X S+ 0 0 3 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.929 113.3 36.7 -60.2 -48.2 6.2 27.3 74.9 13 16 A F H < S+ 0 0 13 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.792 113.9 57.0 -79.2 -26.0 4.2 29.1 77.6 14 17 A K H < S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.4 45.2 -65.4 -40.4 1.0 27.1 76.9 15 18 A R H < S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.791 127.4 28.9 -69.9 -28.7 3.0 24.0 77.5 16 19 A N >< + 0 0 6 -4,-1.0 3,-2.0 -5,-0.2 4,-0.3 -0.489 64.2 157.0-135.8 62.4 4.6 25.4 80.7 17 20 A P G > > + 0 0 15 0, 0.0 5,-2.3 0, 0.0 3,-1.5 0.745 70.0 72.5 -66.1 -22.9 2.3 28.0 82.3 18 21 A E G > 5S+ 0 0 7 1,-0.3 3,-0.7 3,-0.2 405,-0.1 0.692 87.1 67.0 -61.7 -19.5 3.9 27.5 85.7 19 22 A L G < 5S+ 0 0 8 -3,-2.0 403,-0.6 1,-0.2 404,-0.4 0.770 103.6 42.8 -71.1 -26.5 6.9 29.4 84.1 20 23 A A G < 5S- 0 0 3 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.255 131.8 -89.4-101.2 8.7 4.7 32.6 83.9 21 24 A G T < 5S+ 0 0 3 -3,-0.7 10,-0.3 -4,-0.1 -3,-0.2 0.732 95.4 116.9 86.8 26.9 3.2 32.2 87.4 22 25 A F < + 0 0 3 -5,-2.3 -4,-0.2 1,-0.1 -3,-0.2 -0.441 22.8 128.8-117.7 63.7 0.2 30.1 86.4 23 26 A P S S+ 0 0 11 0, 0.0 875,-0.2 0, 0.0 -5,-0.1 0.734 76.6 8.1 -85.0 -25.6 0.8 26.7 88.3 24 27 A N S > S- 0 0 29 -3,-0.2 4,-2.4 873,-0.1 5,-0.2 -0.951 81.4 -98.6-150.8 163.4 -2.6 26.4 90.0 25 28 A P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 151,-0.7 0.831 118.4 51.1 -56.0 -38.1 -6.0 28.2 90.0 26 29 A A H > S+ 0 0 8 149,-0.3 4,-2.0 2,-0.2 150,-0.1 0.944 114.7 41.1 -65.3 -48.5 -5.3 30.3 93.2 27 30 A R H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.848 111.7 58.1 -73.2 -28.7 -2.0 31.6 91.9 28 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.906 106.4 47.4 -63.2 -47.0 -3.5 32.1 88.4 29 32 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 114.6 47.2 -60.6 -48.0 -6.2 34.4 89.7 30 33 A Y H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 113.1 48.2 -57.3 -47.3 -3.6 36.4 91.7 31 34 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 -10,-0.3 5,-0.2 0.871 110.5 51.4 -66.1 -38.4 -1.2 36.6 88.7 32 35 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.908 110.8 48.5 -64.6 -43.6 -4.0 37.8 86.4 33 36 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.944 114.2 45.8 -62.3 -47.4 -5.1 40.5 88.8 34 37 A R H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 109.4 52.6 -68.9 -35.9 -1.5 41.7 89.3 35 38 A E H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.907 112.3 47.4 -65.6 -40.9 -0.5 41.7 85.6 36 39 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.933 112.4 47.7 -65.8 -45.5 -3.6 43.8 84.8 37 40 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 111.2 52.5 -61.2 -38.1 -3.0 46.3 87.6 38 41 A E H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 64,-0.3 0.901 109.1 48.9 -66.0 -39.1 0.6 46.7 86.6 39 42 A N H X S+ 0 0 44 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.918 111.2 49.4 -66.0 -45.8 -0.4 47.4 83.0 40 43 A S H < S+ 0 0 5 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.855 112.5 48.4 -59.9 -41.0 -2.9 50.1 84.1 41 44 A L H >X>S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 3,-1.0 0.882 111.0 49.2 -68.7 -40.7 -0.3 51.7 86.3 42 45 A D H 3<5S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.813 109.8 54.2 -63.7 -30.6 2.3 51.7 83.6 43 46 A A T 3<5S+ 0 0 20 -4,-1.9 33,-1.6 -5,-0.2 -1,-0.2 0.514 120.5 29.4 -79.3 -5.6 -0.3 53.2 81.3 44 47 A T T X4>S+ 0 0 0 -3,-1.0 5,-2.4 -4,-0.2 3,-1.4 0.723 121.4 33.6-117.3 -70.1 -0.9 56.1 83.8 45 48 A D G ><5S+ 0 0 13 -4,-1.2 3,-1.3 1,-0.3 -3,-0.2 0.756 110.4 63.6 -71.9 -22.4 1.9 57.3 86.1 46 49 A V G 3 > - C 0 66B 53 5,-1.4 5,-1.5 1,-0.1 4,-1.0 -0.717 57.6-175.6-151.4 98.4 -19.6 29.6 87.2 62 65 A D T 45S+ 0 0 112 -2,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.903 87.3 51.0 -59.9 -46.4 -19.6 28.1 90.7 63 66 A A T 45S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.950 121.7 31.5 -57.0 -55.1 -19.5 24.5 89.5 64 67 A R T 45S- 0 0 87 2,-0.1 -1,-0.2 -4,-0.0 -2,-0.2 0.439 104.3-129.9 -82.0 -1.9 -16.5 25.1 87.1 65 68 A Q T <5 + 0 0 57 -4,-1.0 110,-1.9 -3,-0.4 2,-0.5 0.935 47.3 162.8 48.8 54.0 -15.0 27.8 89.4 66 69 A I E < -CD 61 174B 9 -5,-1.5 -6,-2.0 108,-0.2 -5,-1.4 -0.901 17.3-167.9-103.8 128.7 -14.5 30.3 86.5 67 70 A Y E -CD 59 173B 7 106,-3.1 106,-2.7 -2,-0.5 2,-0.6 -0.887 15.7-141.7-115.8 148.9 -14.0 33.9 87.4 68 71 A K E -CD 58 172B 54 -10,-2.5 -10,-2.3 -2,-0.4 2,-0.5 -0.955 16.8-162.2-109.5 118.6 -14.1 37.0 85.2 69 72 A V E -CD 57 171B 0 102,-2.9 102,-2.2 -2,-0.6 2,-0.4 -0.897 8.8-176.6-102.7 126.7 -11.5 39.5 86.1 70 73 A N E -CD 56 170B 40 -14,-2.7 -14,-2.6 -2,-0.5 2,-0.5 -0.983 6.1-175.1-126.5 126.3 -12.0 43.1 84.8 71 74 A V E -CD 55 169B 2 98,-2.3 98,-1.9 -2,-0.4 2,-0.4 -0.986 5.2-172.3-124.6 122.5 -9.6 45.9 85.3 72 75 A V E +CD 54 168B 32 -18,-2.7 -18,-2.9 -2,-0.5 2,-0.3 -0.929 9.9 171.6-115.4 135.4 -10.5 49.4 84.1 73 76 A D E - D 0 167B 10 94,-2.3 94,-0.5 -2,-0.4 -20,-0.2 -0.888 42.2-126.5-136.0 170.7 -8.1 52.4 84.1 74 77 A N + 0 0 30 -22,-0.5 92,-0.2 -2,-0.3 -21,-0.1 -0.277 63.3 138.5-108.2 42.2 -7.8 56.0 82.9 75 78 A G S S- 0 0 0 92,-0.1 -31,-0.2 -23,-0.1 3,-0.1 0.047 73.6 -84.9 -72.3-170.7 -4.4 55.3 81.1 76 79 A I - 0 0 40 -33,-1.6 55,-1.1 1,-0.2 90,-0.1 0.511 65.2-139.1 -76.7 -5.3 -3.2 56.6 77.6 77 80 A G - 0 0 9 53,-0.2 -1,-0.2 88,-0.1 90,-0.1 -0.217 18.5 -84.6 75.2-172.1 -5.1 53.7 75.9 78 81 A I - 0 0 24 88,-0.2 5,-0.1 -3,-0.1 -1,-0.1 -0.999 36.5-105.7-138.1 132.3 -3.7 51.7 73.0 79 82 A P >> - 0 0 45 0, 0.0 3,-2.4 0, 0.0 4,-0.9 -0.371 34.2-126.0 -55.8 129.6 -3.8 52.5 69.3 80 83 A P G >4 S+ 0 0 28 0, 0.0 3,-0.8 0, 0.0 -3,-0.0 0.844 109.1 60.1 -53.0 -35.2 -6.5 50.1 67.8 81 84 A Q G 34 S+ 0 0 139 1,-0.2 4,-0.3 2,-0.1 0, 0.0 0.737 107.6 46.4 -65.7 -20.7 -4.0 48.9 65.3 82 85 A E G <> S+ 0 0 42 -3,-2.4 4,-2.5 1,-0.1 -1,-0.2 0.618 89.3 85.8 -94.1 -14.5 -1.7 47.7 68.1 83 86 A V H S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.924 117.4 35.6 -51.2 -53.0 -4.4 42.5 68.5 85 88 A N H > S+ 0 0 41 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.849 110.3 63.2 -71.7 -35.5 -0.6 42.0 69.0 86 89 A A H < S+ 0 0 15 -4,-2.5 24,-0.2 1,-0.2 -1,-0.2 0.861 122.5 20.0 -54.4 -39.2 -0.5 43.8 72.4 87 90 A F H < S+ 0 0 11 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.576 133.3 38.8-108.4 -13.4 -2.7 41.1 73.9 88 91 A G H < S+ 0 0 1 -4,-1.6 2,-0.5 -5,-0.3 56,-0.3 0.258 95.5 76.1-128.2 11.2 -2.4 38.2 71.4 89 92 A R S < S- 0 0 87 -4,-1.5 3,-0.5 60,-0.1 2,-0.2 -0.965 75.5-133.3-126.6 109.3 1.3 38.0 70.3 90 93 A V S S+ 0 0 1 -2,-0.5 17,-0.2 1,-0.2 384,-0.2 -0.447 89.8 23.4 -65.5 136.2 3.7 36.5 72.9 91 94 A L S S+ 0 0 4 15,-2.3 383,-1.7 1,-0.3 2,-0.4 0.909 90.2 127.9 71.7 50.0 6.9 38.6 73.3 92 95 A Y E +I 473 0C 21 14,-1.3 2,-0.3 -3,-0.5 -1,-0.3 -0.999 28.6 143.6-135.1 134.8 5.3 41.9 72.1 93 96 A S E -I 472 0C 12 379,-2.4 379,-2.8 -2,-0.4 3,-0.2 -0.996 54.9-138.5-166.5 155.8 5.7 45.0 74.2 94 97 A S S S+ 0 0 17 -2,-0.3 376,-0.5 377,-0.2 3,-0.2 0.228 98.5 71.5-104.3 14.5 6.2 48.7 74.4 95 98 A K + 0 0 29 1,-0.2 4,-0.2 377,-0.1 -1,-0.1 0.179 56.9 103.9-118.3 15.6 8.5 48.2 77.3 96 99 A Y + 0 0 17 374,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.403 65.0 97.4 -78.3 5.2 11.6 46.7 75.6 97 100 A V S S- 0 0 35 -3,-0.2 2,-1.9 373,-0.1 -3,-0.0 -0.559 94.4 -90.7 -93.2 161.0 13.3 50.1 76.0 98 101 A N S S+ 0 0 40 128,-0.2 128,-2.3 -2,-0.2 2,-0.3 -0.474 85.8 107.7 -70.8 83.2 15.7 51.3 78.7 99 102 A R S S- 0 0 23 -2,-1.9 2,-0.6 316,-0.5 126,-0.1 -0.986 75.6-100.1-161.2 143.0 13.2 52.7 81.1 100 103 A Q + 0 0 7 210,-1.6 2,-0.3 -2,-0.3 315,-0.2 -0.624 56.4 147.1 -76.3 118.3 11.8 51.7 84.5 101 104 A T - 0 0 10 -2,-0.6 313,-0.1 313,-0.3 -2,-0.0 -0.934 55.7-121.8-141.4 162.8 8.4 50.1 84.1 102 105 A R S S+ 0 0 10 -2,-0.3 -1,-0.1 -64,-0.3 -63,-0.1 0.940 99.7 59.5 -70.0 -49.1 6.5 47.4 86.0 103 106 A G + 0 0 8 -65,-0.2 -2,-0.2 1,-0.1 -10,-0.0 -0.363 54.3 149.5 -72.0 158.0 6.1 45.3 82.8 104 107 A M + 0 0 24 -2,-0.1 -1,-0.1 -4,-0.1 -11,-0.0 0.428 58.5 57.1-160.9 -23.1 9.3 44.1 81.0 105 108 A Y S S- 0 0 2 317,-0.1 -12,-0.1 -13,-0.0 -2,-0.1 0.671 84.0-130.2 -96.1 -21.3 8.8 40.7 79.2 106 109 A G S S+ 0 0 10 -15,-0.2 -15,-2.3 -16,-0.1 -14,-1.3 0.820 90.9 92.0 66.6 30.1 6.0 41.4 76.8 107 110 A L >> + 0 0 2 -17,-0.2 4,-1.8 -16,-0.2 3,-0.5 0.691 51.6 93.1-114.6 -46.3 4.6 38.1 78.3 108 111 A G H >> S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.674 93.4 27.1 -27.3 -77.2 2.4 39.2 81.2 109 112 A V H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 117.0 59.8 -66.0 -34.8 -1.2 39.6 79.9 110 113 A K H <> S+ 0 0 10 -3,-0.5 4,-3.3 2,-0.2 -1,-0.2 0.836 100.1 58.6 -61.3 -30.7 -0.8 37.0 77.1 111 114 A A H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 3,-0.7 0.925 108.8 40.9 -63.5 -48.3 -7.9 31.5 79.7 117 120 A Q H 3< S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.765 107.0 65.2 -75.7 -23.8 -8.3 29.6 76.4 118 121 A M H 3< S+ 0 0 7 -4,-1.8 584,-3.1 -5,-0.2 -1,-0.2 0.760 119.5 19.7 -63.8 -25.2 -6.7 26.5 77.8 119 122 A H H << S+ 0 0 29 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.521 126.7 29.0-127.3 -10.2 -9.6 26.0 80.3 120 123 A Q < - 0 0 13 -4,-1.6 -1,-0.1 -5,-0.1 582,-0.0 -0.889 62.3-131.8-149.5 173.0 -12.6 28.0 79.0 121 124 A D + 0 0 23 -2,-0.3 -4,-0.1 -3,-0.1 634,-0.1 0.485 66.9 102.1-117.3 -4.9 -14.1 29.1 75.7 122 125 A K - 0 0 129 -6,-0.2 50,-0.3 1,-0.1 -2,-0.1 -0.678 68.8-124.4 -82.4 134.9 -15.0 32.8 76.0 123 126 A P - 0 0 25 0, 0.0 19,-0.2 0, 0.0 2,-0.2 -0.236 30.8 -94.7 -69.9 163.7 -12.6 35.3 74.3 124 127 A I E -E 141 0B 4 17,-2.0 17,-1.9 47,-0.1 2,-0.5 -0.521 38.3-135.7 -78.8 150.7 -10.9 38.1 76.2 125 128 A E E -EF 140 170B 62 45,-2.9 45,-2.3 15,-0.2 2,-0.4 -0.941 21.8-178.3-119.3 121.8 -12.6 41.5 76.0 126 129 A I E +EF 139 169B 1 13,-2.2 13,-2.3 -2,-0.5 2,-0.4 -0.972 7.9 178.9-121.1 131.5 -10.8 44.7 75.4 127 130 A E E +EF 138 168B 99 41,-2.4 41,-2.9 -2,-0.4 2,-0.3 -0.998 16.5 169.4-124.6 130.3 -12.2 48.3 75.2 128 131 A T E -EF 137 167B 0 9,-2.7 9,-2.7 -2,-0.4 39,-0.2 -0.997 23.3-174.2-145.4 142.2 -9.8 51.2 74.7 129 132 A S E - F 0 166B 0 37,-2.3 37,-1.7 -2,-0.3 3,-0.1 -0.906 22.9-144.0-133.6 106.2 -9.9 54.9 73.9 130 133 A P > - 0 0 25 0, 0.0 3,-2.0 0, 0.0 -53,-0.2 -0.105 43.7 -72.6 -58.3 162.2 -6.5 56.6 73.2 131 134 A V T 3 S+ 0 0 69 -55,-1.1 34,-0.1 1,-0.3 33,-0.1 -0.398 122.2 8.1 -59.4 133.8 -5.9 60.2 74.4 132 135 A N T 3 S+ 0 0 150 31,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.653 94.8 153.4 66.1 16.7 -7.9 62.7 72.2 133 136 A S < - 0 0 21 -3,-2.0 -1,-0.2 30,-0.2 30,-0.1 -0.617 42.9-153.8 -80.7 138.4 -9.7 59.8 70.4 134 137 A K S S+ 0 0 168 -2,-0.3 26,-2.9 25,-0.1 2,-0.3 0.631 76.7 52.4 -76.3 -17.8 -13.1 60.3 68.9 135 138 A R E - G 0 159B 95 24,-0.2 2,-0.6 -5,-0.1 24,-0.2 -0.843 68.7-135.5-124.2 157.6 -13.9 56.6 69.4 136 139 A I E - G 0 158B 31 22,-2.6 22,-1.8 -2,-0.3 2,-0.4 -0.967 31.0-150.5-103.3 116.2 -14.0 53.7 71.8 137 140 A Y E -EG 128 157B 63 -9,-2.7 -9,-2.7 -2,-0.6 2,-0.3 -0.767 10.4-163.1 -91.5 130.2 -12.6 50.6 70.1 138 141 A T E +EG 127 156B 45 18,-2.9 18,-2.5 -2,-0.4 2,-0.3 -0.863 9.6 177.3-112.1 149.3 -13.8 47.2 71.2 139 142 A F E -EG 126 155B 12 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.4 -0.991 21.3-160.2-145.5 150.7 -12.1 43.8 70.5 140 143 A K E +EG 125 154B 65 14,-2.5 13,-2.4 -2,-0.3 14,-1.5 -0.987 32.6 179.5-131.0 124.8 -12.7 40.1 71.3 141 144 A L E +EG 124 152B 1 -17,-1.9 -17,-2.0 -2,-0.4 2,-0.3 -0.882 25.2 176.1-135.1 151.1 -9.5 38.1 71.0 142 145 A K E - 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0 0 10 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.838 52.3-120.7-110.8 144.8 41.5 50.8 70.1 277 280 A K > - 0 0 165 -2,-0.3 3,-1.9 1,-0.1 -26,-0.4 -0.735 17.3-144.0 -85.5 114.8 42.2 53.5 67.5 278 281 A P T 3 S+ 0 0 54 0, 0.0 -26,-2.0 0, 0.0 -25,-0.3 0.794 97.3 47.8 -42.7 -38.9 40.0 56.6 68.2 279 282 A N T 3 S+ 0 0 145 -29,-0.2 2,-0.1 -28,-0.2 3,-0.0 0.439 81.6 113.9 -94.0 -5.6 39.5 57.2 64.5 280 283 A K S < S- 0 0 62 -3,-1.9 -29,-2.5 1,-0.1 2,-0.4 -0.402 78.2-105.4 -63.0 142.5 38.5 53.7 63.4 281 284 A K B > -J 250 0D 86 -31,-0.2 3,-2.1 1,-0.1 -31,-0.3 -0.601 23.0-139.4 -70.4 124.5 34.9 53.4 62.1 282 285 A V G > S+ 0 0 2 -33,-1.7 3,-1.8 -2,-0.4 -1,-0.1 0.776 98.4 69.3 -57.7 -29.3 33.0 51.6 64.8 283 286 A K G 3 S+ 0 0 127 -34,-0.5 -1,-0.3 1,-0.3 -33,-0.1 0.676 96.7 56.0 -64.0 -15.4 31.1 49.6 62.1 284 287 A N G < S+ 0 0 95 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.298 74.1 136.4-102.4 5.7 34.4 47.8 61.5 285 288 A L < - 0 0 20 -3,-1.8 2,-0.1 -4,-0.1 -3,-0.0 -0.296 49.9-133.1 -49.0 132.9 35.0 46.6 65.0 286 289 A T > - 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0 0 26 -4,-1.6 3,-0.3 -5,-0.2 -30,-0.0 -0.444 41.9-171.9 -65.3 128.2 37.2 50.6 84.5 301 304 A E + 0 0 181 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.531 69.2 65.1-103.4 -6.7 37.0 52.1 88.0 302 305 A D + 0 0 108 -36,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.002 62.3 132.7-110.8 29.1 36.4 55.8 87.2 303 306 A F - 0 0 35 -3,-0.3 2,-0.2 -6,-0.1 -41,-0.1 -0.597 56.4-122.4 -74.7 138.2 32.9 55.9 85.6 304 307 A R - 0 0 147 -43,-0.5 -1,-0.1 -2,-0.3 -2,-0.0 -0.510 39.1 -95.4 -67.1 148.2 30.5 58.5 86.9 305 308 A S - 0 0 66 -2,-0.2 -44,-0.1 1,-0.1 35,-0.1 -0.253 42.5-102.0 -57.7 152.9 27.3 57.1 88.3 306 309 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.281 42.4-102.8 -64.9 163.1 24.2 56.9 86.0 307 310 A S - 0 0 41 1,-0.1 3,-0.4 39,-0.0 33,-0.1 -0.454 20.3-124.4 -79.3 163.8 21.6 59.6 86.5 308 311 A A S > S+ 0 0 43 1,-0.2 3,-1.7 -2,-0.1 -1,-0.1 0.326 83.5 102.6 -89.7 11.6 18.3 58.8 88.2 309 312 A D T 3 S+ 0 0 91 1,-0.3 -85,-2.1 -86,-0.1 -1,-0.2 0.644 78.1 53.6 -71.8 -17.5 16.1 60.0 85.3 310 313 A S T 3 S+ 0 0 0 -3,-0.4 -210,-1.6 -87,-0.2 2,-0.3 0.448 106.8 71.7 -89.7 -0.6 15.3 56.5 84.1 311 314 A L < - 0 0 13 -3,-1.7 2,-0.4 -212,-0.1 -87,-0.1 -0.820 59.6-159.7-120.3 154.1 14.2 55.6 87.7 312 315 A S - 0 0 13 -2,-0.3 2,-0.2 -89,-0.1 102,-0.1 -0.960 19.5-165.4-134.4 115.2 11.3 56.4 90.0 313 316 A V - 0 0 48 -2,-0.4 23,-0.0 1,-0.1 36,-0.0 -0.556 28.5-133.4 -97.1 159.6 11.8 55.9 93.7 314 317 A I - 0 0 17 -2,-0.2 4,-0.3 -94,-0.0 -1,-0.1 0.947 52.0-141.3 -70.0 -49.5 9.4 55.7 96.7 315 318 A G > - 0 0 17 1,-0.1 4,-2.4 2,-0.1 3,-0.3 0.160 18.9 -87.1 95.0 145.5 11.6 58.1 98.6 316 319 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.833 121.8 54.0 -54.6 -41.4 12.6 58.1 102.3 317 320 A D H > S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.936 113.2 41.8 -61.4 -48.1 9.6 60.2 103.5 318 321 A L H > S+ 0 0 35 -4,-0.3 4,-3.0 -3,-0.3 5,-0.2 0.871 112.0 53.9 -69.4 -41.3 7.0 57.8 102.0 319 322 A I H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.970 114.7 42.0 -56.5 -49.8 8.8 54.7 103.0 320 323 A E H X S+ 0 0 46 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 113.5 51.6 -64.6 -43.0 8.9 55.9 106.6 321 324 A L H X S+ 0 0 114 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.9 48.3 -59.6 -43.0 5.3 57.2 106.5 322 325 A G H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.901 109.0 50.6 -64.5 -45.5 4.1 53.8 105.2 323 326 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.857 112.8 48.4 -62.5 -34.7 6.0 51.7 107.8 324 327 A K H X S+ 0 0 113 -4,-1.9 4,-1.9 3,-0.2 -2,-0.2 0.913 110.4 50.1 -71.7 -44.0 4.4 53.9 110.5 325 328 A K H < S+ 0 0 166 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 120.3 35.8 -57.3 -45.7 0.9 53.7 109.1 326 329 A I H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.851 133.5 20.3 -79.9 -39.1 1.0 49.9 108.9 327 330 A F H < S- 0 0 32 -4,-2.2 31,-0.6 -5,-0.2 32,-0.2 0.565 78.0-145.9-116.7 -12.7 3.1 48.9 111.9 328 331 A N < - 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0 0 28 -4,-2.3 3,-0.2 -5,-0.2 -30,-0.0 -0.356 45.2-170.1 -59.8 133.3 -14.5 12.2 86.7 768 304 B E + 0 0 181 1,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.520 69.3 64.3-105.4 -10.1 -13.7 10.2 89.8 769 305 B D + 0 0 119 -36,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.012 63.4 136.5-114.0 27.0 -13.3 6.7 88.6 770 306 B F - 0 0 35 -3,-0.2 2,-0.1 -6,-0.1 -41,-0.1 -0.577 54.2-121.9 -73.9 133.5 -10.2 6.9 86.2 771 307 B R - 0 0 148 -43,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.420 37.4 -98.7 -59.8 149.1 -7.6 4.1 86.5 772 308 B S - 0 0 65 1,-0.1 35,-0.1 -2,-0.1 -1,-0.1 -0.307 46.7 -95.4 -63.7 155.1 -4.1 5.3 87.3 773 309 B P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.208 54.6 -77.2 -65.4 168.1 -1.7 5.7 84.3 774 310 B S - 0 0 52 1,-0.2 -47,-0.0 -3,-0.1 -3,-0.0 -0.526 30.3-145.7 -71.3 129.9 0.7 2.9 83.5 775 311 B A S > S+ 0 0 54 -2,-0.3 3,-0.7 -3,-0.1 -1,-0.2 0.819 78.7 91.3 -60.7 -34.1 3.7 2.8 85.8 776 312 B D T 3 S+ 0 0 89 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 -0.101 77.8 36.8 -57.2 164.5 5.7 1.6 82.8 777 313 B S T 3 S+ 0 0 11 1,-0.2 -210,-0.4 -88,-0.1 2,-0.3 0.803 94.9 95.9 42.5 32.9 7.4 4.3 80.7 778 314 B L S < S- 0 0 15 -3,-0.7 2,-0.6 -212,-0.1 -1,-0.2 -0.907 73.2-138.6-119.3 153.9 8.3 6.3 83.8 779 315 B S - 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0 0 107 -4,-1.2 30,-1.9 -5,-0.5 31,-0.2 0.955 37.7-178.0 48.9 59.0 25.5 5.6 107.4 796 332 B P - 0 0 15 0, 0.0 28,-0.2 0, 0.0 27,-0.2 -0.250 40.0-123.2 -81.7 171.7 22.2 6.1 109.3 797 333 B D S S+ 0 0 113 25,-2.1 2,-0.3 1,-0.3 26,-0.2 0.715 97.3 16.7 -80.6 -22.9 20.8 3.8 112.0 798 334 B F E +Z 822 0J 43 24,-1.6 24,-2.6 2,-0.0 2,-0.3 -0.994 62.8 174.2-155.2 138.7 17.6 3.4 110.0 799 335 B A E +Z 821 0J 13 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.991 4.3 168.9-145.9 146.9 16.4 4.1 106.4 800 336 B A E -Z 820 0J 7 20,-2.1 20,-2.6 -2,-0.3 2,-0.3 -0.975 6.1-176.5-152.1 157.7 13.2 3.4 104.6 801 337 B S E -Z 819 0J 0 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.949 11.7-150.4-150.5 167.5 11.7 4.4 101.2 802 338 B I E -Z 818 0J 18 16,-2.3 16,-2.4 -2,-0.3 2,-0.7 -0.986 7.4-157.7-145.0 130.6 8.5 4.1 99.1 803 339 B T E -Z 817 0J 37 -2,-0.3 14,-0.2 14,-0.2 -20,-0.1 -0.965 33.0-146.9-102.3 108.6 8.0 4.1 95.3 804 340 B R - 0 0 57 12,-1.8 3,-0.1 -2,-0.7 -2,-0.0 -0.296 19.7 -94.8 -76.0 161.2 4.3 5.1 95.1 805 341 B K - 0 0 172 1,-0.1 11,-0.3 10,-0.1 -1,-0.1 -0.419 58.6 -85.3 -68.8 151.9 1.9 4.0 92.5 806 342 B P - 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0 0 14 -70,-0.3 -1,-0.3 -318,-0.1 -316,-0.1 -0.836 68.8-158.6-151.5 118.0 6.8 16.7 82.4 884 420 B I - 0 0 0 -2,-0.3 2,-1.3 -3,-0.2 -46,-0.0 -0.820 21.7-137.9 -87.8 128.3 8.3 18.3 85.5 885 421 B P - 0 0 0 0, 0.0 10,-2.8 0, 0.0 12,-0.1 -0.690 28.5-169.8 -89.2 89.6 6.7 21.7 86.2 886 422 B Y B -F 894 0L 0 -2,-1.3 8,-0.3 8,-0.2 3,-0.1 -0.442 31.2-127.4 -76.0 157.1 9.7 23.8 87.2 887 423 B K S S+ 0 0 23 6,-3.5 2,-0.3 1,-0.1 -464,-0.3 0.774 93.0 4.5 -70.1 -24.8 9.5 27.3 88.7 888 424 B S S > S- 0 0 17 5,-0.4 3,-2.2 -467,-0.1 5,-0.2 -0.965 80.2-101.3-153.9 162.9 11.9 28.5 86.0 889 425 B A T 3 S+ 0 0 6 -403,-0.7 -402,-0.2 -2,-0.3 -317,-0.1 0.551 114.4 77.0 -66.6 -7.8 13.7 27.3 82.9 890 426 B G T 3 S- 0 0 0 -404,-0.5 -1,-0.3 -470,-0.3 -403,-0.1 0.616 93.7-147.0 -69.6 -13.7 16.7 27.1 85.2 891 427 B K < + 0 0 4 -3,-2.2 -2,-0.1 2,-0.1 3,-0.1 0.871 57.9 123.8 44.0 54.4 15.1 23.9 86.5 892 428 B E + 0 0 0 1,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.479 69.1 32.8-111.9 -10.7 16.2 24.1 90.1 893 429 B S S S- 0 0 4 -5,-0.2 -6,-3.5 -44,-0.1 -5,-0.4 -0.985 71.7-122.7-154.4 146.0 12.8 24.0 91.8 894 430 B I B -F 886 0L 0 -2,-0.3 -43,-1.8 -8,-0.3 -8,-0.2 -0.613 31.9-125.3 -89.0 133.8 9.3 22.4 91.4 895 431 B A - 0 0 3 -10,-2.8 2,-1.9 -2,-0.3 -1,-0.1 -0.233 32.5 -90.6 -74.8 166.0 6.3 24.7 91.3 896 432 B E + 0 0 43 -878,-0.1 2,-0.6 4,-0.1 -869,-0.2 -0.534 55.1 163.3 -81.8 76.1 3.2 24.5 93.5 897 433 B V > - 0 0 3 -2,-1.9 4,-2.5 1,-0.1 3,-0.4 -0.871 35.1-140.1 -92.7 122.4 1.0 22.2 91.4 898 434 B E H > S+ 0 0 78 -2,-0.6 4,-2.7 -875,-0.2 5,-0.2 0.872 95.8 50.8 -61.0 -42.3 -1.7 20.9 93.8 899 435 B D H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 114.2 45.9 -61.4 -38.1 -1.9 17.3 92.7 900 436 B I H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.905 111.9 51.6 -71.1 -40.6 1.8 16.9 93.0 901 437 B E H X S+ 0 0 25 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.916 109.7 49.2 -61.8 -44.8 1.9 18.7 96.4 902 438 B K H X S+ 0 0 113 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.918 113.3 47.1 -60.5 -42.9 -0.9 16.3 97.8 903 439 B E H X S+ 0 0 5 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.889 108.1 54.2 -69.3 -38.7 1.0 13.2 96.6 904 440 B I H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.920 111.8 46.5 -59.3 -41.8 4.3 14.4 97.9 905 441 B K H X S+ 0 0 93 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.944 111.9 49.6 -64.4 -50.4 2.6 14.8 101.3 906 442 B N H X S+ 0 0 60 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.888 112.7 48.3 -53.3 -41.8 0.9 11.4 101.0 907 443 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.3 0.931 110.6 49.9 -68.1 -45.9 4.3 9.8 100.2 908 444 B L H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.846 107.6 55.2 -60.7 -37.7 6.1 11.5 103.0 909 445 B M H X S+ 0 0 37 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.864 104.6 54.3 -61.3 -40.4 3.4 10.3 105.4 910 446 B E H >X S+ 0 0 49 -4,-1.5 4,-1.2 -3,-0.2 3,-0.6 0.973 114.1 38.6 -60.4 -55.7 3.9 6.7 104.4 911 447 B V H 3X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.809 110.7 62.0 -65.5 -29.6 7.6 6.7 105.1 912 448 B A H 3X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.862 100.4 53.5 -64.3 -33.1 7.0 8.8 108.2 913 449 B R H X S+ 0 0 45 -4,-2.6 4,-2.0 -5,-0.2 3,-0.9 0.945 111.2 52.2 -73.8 -55.7 8.7 3.7 118.9 921 457 B E H 3< S+ 0 0 128 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.424 114.7 47.7 -61.2 3.5 10.5 0.3 118.6 922 458 B K H 3> S+ 0 0 52 -3,-0.1 4,-1.2 2,-0.1 -1,-0.2 0.608 104.6 53.9-117.4 -26.0 13.6 2.2 119.9 923 459 B R H