==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-11 3SLB . COMPND 2 MOLECULE: AMINOGLYCOSIDE N3-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.M.KLIMECKA,M.CHRUSZCZ,P.J.POREBSKI,M.CYMBOROWSKI,W.ANDERSO . 1060 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 720 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 12.2 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 . 8 0.8 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 . 4 0.4 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 . 53 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 1 4 3 12 5 0 0 8 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 4 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 3 1 0 12 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 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 -2 A S 0 0 68 0, 0.0 475,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.7 25.9 16.3 26.9 2 -1 A N >> - 0 0 82 473,-2.2 4,-1.8 1,-0.1 3,-0.5 -0.420 360.0-109.5 -69.6 146.8 23.7 13.9 28.8 3 0 A A H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.879 119.5 50.9 -34.3 -53.7 20.3 15.1 30.0 4 1 A X H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 104.7 54.7 -65.1 -37.6 21.5 15.1 33.6 5 2 A N H <> S+ 0 0 8 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.909 110.3 47.9 -62.1 -38.4 24.7 17.3 32.9 6 3 A D H X S+ 0 0 94 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.890 109.3 53.1 -69.6 -40.8 22.4 19.9 31.2 7 4 A I H < S+ 0 0 30 -4,-1.9 39,-0.7 -5,-0.2 -2,-0.2 0.920 112.1 44.8 -58.2 -45.6 20.0 19.9 34.2 8 5 A V H >< S+ 0 0 14 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.919 111.2 53.7 -65.1 -45.5 22.9 20.5 36.6 9 6 A A H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 106.3 52.8 -59.4 -30.8 24.4 23.2 34.4 10 7 A S T 3< S+ 0 0 70 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.3 0.281 97.2 81.4 -91.0 9.1 21.1 25.1 34.3 11 8 A T < - 0 0 8 -3,-1.6 34,-0.1 1,-0.2 33,-0.0 -0.967 55.4-170.0-117.2 128.7 20.8 25.1 38.2 12 9 A Q S S+ 0 0 175 -2,-0.4 -1,-0.2 1,-0.3 33,-0.0 0.932 78.8 6.9 -84.8 -49.3 22.7 27.7 40.2 13 10 A L S S- 0 0 87 33,-0.0 -1,-0.3 878,-0.0 878,-0.1 -0.943 95.2 -86.1-129.0 155.2 22.1 26.1 43.6 14 11 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.217 33.2-129.2 -60.2 140.4 20.4 22.8 44.5 15 12 A N B +a 47 0A 11 31,-2.7 33,-2.9 4,-0.1 2,-0.3 -0.686 35.9 179.2 -78.7 142.5 16.7 22.5 44.9 16 13 A T > - 0 0 6 -2,-0.3 4,-2.4 31,-0.2 5,-0.3 -0.880 47.4 -93.9-137.3 171.0 15.8 20.8 48.2 17 14 A I H > S+ 0 0 27 881,-0.3 4,-2.9 31,-0.3 5,-0.2 0.946 126.9 50.4 -50.0 -45.8 12.6 19.8 50.0 18 15 A K H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 111.0 43.9 -65.9 -44.4 13.0 23.2 51.8 19 16 A T H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.820 115.5 49.6 -72.1 -29.6 13.4 25.4 48.7 20 17 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 109.9 50.5 -70.9 -43.7 10.6 23.6 47.0 21 18 A T H X S+ 0 0 2 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.928 112.6 48.9 -53.5 -45.9 8.3 23.9 50.0 22 19 A N H X S+ 0 0 99 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.898 111.4 47.6 -63.8 -43.7 9.2 27.7 50.0 23 20 A D H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.845 110.2 53.0 -65.5 -37.4 8.5 28.1 46.2 24 21 A L H X>S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 4,-1.2 0.928 110.9 45.9 -67.1 -42.5 5.1 26.3 46.6 25 22 A R H <5S+ 0 0 128 -4,-2.1 3,-0.3 3,-0.2 -2,-0.2 0.902 110.3 54.8 -63.7 -39.4 4.0 28.6 49.4 26 23 A K H <5S+ 0 0 170 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.901 106.7 50.3 -62.1 -44.0 5.2 31.6 47.4 27 24 A L H <5S- 0 0 13 -4,-2.1 -1,-0.3 215,-0.1 -2,-0.2 0.741 129.8 -95.5 -62.2 -31.4 3.0 30.6 44.4 28 25 A G T <5 + 0 0 24 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.482 69.8 149.5 124.6 8.3 0.0 30.2 46.8 29 26 A L < - 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.561 29.7-170.0 -70.2 129.4 -0.2 26.5 47.8 30 27 A K > - 0 0 130 -2,-0.3 3,-1.9 33,-0.0 31,-0.1 -0.928 29.1 -88.9-127.7 150.5 -1.7 26.4 51.3 31 28 A K T 3 S+ 0 0 127 -2,-0.3 31,-0.2 1,-0.2 32,-0.2 -0.242 112.2 24.2 -47.2 134.9 -2.4 24.0 54.1 32 29 A G T 3 S+ 0 0 37 30,-2.7 -1,-0.2 1,-0.3 30,-0.1 0.408 88.2 139.4 86.0 -1.6 -5.7 22.2 53.6 33 30 A X < - 0 0 17 -3,-1.9 34,-2.3 33,-0.1 2,-0.6 -0.373 51.4-134.3 -70.4 151.7 -6.0 22.6 49.8 34 31 A T E +b 67 0B 15 32,-0.2 137,-2.9 135,-0.2 2,-0.4 -0.964 38.6 174.4 -98.2 117.7 -7.3 20.0 47.5 35 32 A V E -bc 68 171B 0 32,-2.4 34,-2.5 -2,-0.6 2,-0.5 -0.992 30.6-154.3-134.3 129.9 -4.9 20.0 44.6 36 33 A I E -bc 69 172B 0 135,-2.7 137,-2.5 -2,-0.4 2,-0.4 -0.870 28.8-153.4 -92.9 131.3 -4.4 17.8 41.5 37 34 A V E - c 0 173B 1 32,-2.7 2,-0.4 -2,-0.5 137,-0.2 -0.905 20.4-178.4-118.2 136.5 -0.8 17.9 40.4 38 35 A H E + c 0 174B 10 135,-2.1 137,-2.9 -2,-0.4 2,-0.3 -0.998 22.6 172.7-127.4 136.8 1.0 17.5 37.1 39 36 A S E - c 0 175B 15 74,-0.4 2,-0.4 -2,-0.4 137,-0.2 -0.957 40.5-153.1-149.0 156.7 4.7 17.7 36.8 40 37 A S - 0 0 34 135,-1.5 4,-0.5 -2,-0.3 3,-0.3 -0.981 18.9-159.5-120.2 113.9 8.0 17.4 34.9 41 38 A L S > S+ 0 0 41 -2,-0.4 3,-1.4 1,-0.2 4,-0.5 0.918 91.0 53.4 -57.9 -43.7 10.9 16.6 37.4 42 39 A S G > S+ 0 0 71 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.825 95.3 68.4 -65.9 -31.8 13.6 17.8 35.0 43 40 A S G 3 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.735 93.1 59.9 -61.5 -23.2 11.9 21.2 34.5 44 41 A I G < S- 0 0 1 -3,-1.4 201,-3.1 -4,-0.5 202,-0.3 0.803 107.5-123.3 -74.4 -27.3 12.7 22.2 38.1 45 42 A G < - 0 0 3 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 -0.523 61.9 -14.5 95.9-176.6 16.4 21.9 37.7 46 43 A W - 0 0 27 -39,-0.7 -31,-2.7 -2,-0.2 2,-0.4 -0.360 66.1-166.3 -69.6 128.8 18.6 19.7 39.9 47 44 A I B > -a 15 0A 9 -33,-0.2 3,-1.4 -2,-0.2 2,-0.9 -0.939 22.4-131.4-118.4 128.0 16.9 18.4 43.0 48 45 A S T 3 S+ 0 0 1 -33,-2.9 -31,-0.3 -2,-0.4 828,-0.0 -0.726 105.1 15.6 -75.0 107.1 18.6 16.8 46.1 49 46 A G T >> S- 0 0 25 -2,-0.9 4,-1.2 850,-0.2 3,-1.1 0.400 98.0-145.7 103.2 3.1 16.4 13.7 46.5 50 47 A G H X> S- 0 0 20 -3,-1.4 4,-1.3 1,-0.2 3,-0.5 -0.016 72.8 -0.3 43.3-129.7 14.7 13.9 43.1 51 48 A A H 3> S+ 0 0 6 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.844 130.2 60.2 -62.8 -36.5 11.1 12.8 43.0 52 49 A V H <> S+ 0 0 10 -3,-1.1 4,-2.7 1,-0.2 -1,-0.3 0.890 103.6 52.9 -57.8 -43.1 10.9 12.0 46.7 53 50 A A H < - 0 0 33 -4,-2.4 3,-1.4 -5,-0.4 78,-0.3 0.131 45.0 -67.9 64.1 173.5 -0.6 18.5 55.0 64 61 A E T 3 S+ 0 0 148 1,-0.3 77,-0.5 76,-0.1 -1,-0.2 0.640 131.3 68.3 -71.4 -11.5 -2.9 15.6 55.9 65 62 A E T 3 S+ 0 0 119 -3,-0.2 -1,-0.3 75,-0.1 -2,-0.2 0.728 104.5 50.0 -74.1 -22.8 -5.7 18.2 56.4 66 63 A G S < S- 0 0 0 -3,-1.4 75,-2.4 -4,-0.4 2,-0.4 -0.348 84.7-123.6-100.9-172.0 -5.5 18.7 52.6 67 64 A T E -bD 34 140B 0 -34,-2.3 -32,-2.4 73,-0.3 2,-0.4 -1.000 11.3-159.1-139.9 134.3 -5.5 16.2 49.7 68 65 A I E -bD 35 139B 1 71,-2.8 71,-2.1 -2,-0.4 2,-0.4 -0.961 13.3-176.0-112.2 133.1 -3.1 15.6 46.8 69 66 A I E +bD 36 138B 0 -34,-2.5 -32,-2.7 -2,-0.4 69,-0.2 -0.981 5.1 176.6-126.1 141.6 -4.2 13.9 43.7 70 67 A X E - D 0 137B 0 67,-2.5 67,-2.7 -2,-0.4 2,-0.2 -0.996 35.2-108.3-136.0 146.4 -2.2 12.8 40.6 71 68 A P E - D 0 136B 6 0, 0.0 65,-0.3 0, 0.0 64,-0.1 -0.537 26.5-172.9 -70.5 139.3 -3.2 11.0 37.5 72 69 A T + 0 0 0 63,-2.5 63,-0.4 -2,-0.2 64,-0.1 -0.419 16.5 175.2-127.6 51.6 -1.8 7.4 37.4 73 70 A Q - 0 0 55 61,-0.2 38,-2.1 38,-0.1 61,-0.2 -0.316 17.9-167.6 -65.1 147.3 -2.9 6.3 33.8 74 71 A S > + 0 0 2 59,-2.2 3,-2.2 36,-0.3 60,-0.1 -0.522 18.0 163.5-136.5 60.9 -1.7 2.9 32.6 75 72 A S G > + 0 0 52 1,-0.3 3,-1.4 36,-0.2 -1,-0.1 0.542 62.8 81.7 -69.3 -5.9 -2.4 3.0 28.8 76 73 A D G 3 S+ 0 0 76 1,-0.2 -1,-0.3 57,-0.1 772,-0.1 0.650 85.5 62.2 -66.5 -16.8 -0.0 -0.0 28.2 77 74 A L G < S+ 0 0 16 -3,-2.2 -1,-0.2 55,-0.2 -2,-0.2 0.390 86.6 105.0 -87.3 3.7 -3.0 -2.1 29.3 78 75 A S S < S- 0 0 26 -3,-1.4 124,-0.2 1,-0.1 5,-0.1 -0.274 88.2 -72.5 -84.8 168.9 -5.2 -1.0 26.4 79 76 A D > - 0 0 18 122,-0.6 3,-1.3 1,-0.1 4,-0.2 -0.430 38.0-145.4 -60.6 123.1 -6.2 -2.8 23.2 80 77 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 8,-0.4 0.633 88.3 84.2 -72.2 -12.9 -3.1 -2.9 21.0 81 78 A K G 3 S+ 0 0 110 1,-0.2 -2,-0.0 12,-0.1 12,-0.0 0.872 99.1 38.6 -48.4 -40.6 -5.4 -2.6 17.9 82 79 A H G < S+ 0 0 128 -3,-1.3 -1,-0.2 5,-0.0 2,-0.1 0.417 87.9 126.6 -99.1 4.8 -5.2 1.2 18.5 83 80 A W < + 0 0 42 -3,-1.1 5,-0.2 -4,-0.2 -7,-0.0 -0.363 17.3 157.2 -67.6 139.5 -1.5 1.5 19.6 84 81 A S + 0 0 38 2,-0.2 -1,-0.1 3,-0.1 596,-0.1 0.250 53.5 87.2-136.1 6.3 0.8 4.0 17.8 85 82 A R S S- 0 0 150 1,-0.9 -1,-0.0 718,-0.0 718,-0.0 -0.427 131.7 -18.7-139.6 57.5 3.5 4.7 20.4 86 83 A P S S- 0 0 13 0, 0.0 -1,-0.9 0, 0.0 -2,-0.2 0.641 86.9-140.5 -98.4 168.6 4.6 2.3 19.0 87 84 A P - 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -6,-0.1 -0.471 19.9-149.3 -71.7 155.2 2.3 0.1 17.0 88 85 A V - 0 0 11 -8,-0.4 5,-0.1 -5,-0.2 -5,-0.1 -0.864 33.4 -76.4-120.3 158.3 2.9 -3.6 17.3 89 86 A P > - 0 0 44 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.207 38.0-124.7 -55.7 144.0 2.3 -6.4 14.6 90 87 A E G > S+ 0 0 135 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.842 108.6 65.6 -59.6 -33.3 -1.3 -7.3 14.2 91 88 A E G 3 S+ 0 0 77 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.630 98.6 55.1 -67.2 -12.8 -0.5 -11.0 14.8 92 89 A W G <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.1 -1,-0.3 0.622 84.6 87.0 -86.3 -16.3 0.5 -10.0 18.4 93 90 A W H <> S+ 0 0 39 -3,-1.7 4,-2.5 -4,-0.4 5,-0.2 0.889 91.1 40.1 -62.8 -46.2 -2.8 -8.4 19.3 94 91 A Q H > S+ 0 0 101 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.871 112.7 56.7 -69.7 -37.3 -4.8 -11.4 20.5 95 92 A I H > S+ 0 0 52 -4,-0.3 4,-1.6 2,-0.2 5,-0.2 0.936 110.4 46.4 -55.1 -46.3 -1.7 -12.8 22.3 96 93 A I H >X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 3,-0.6 0.956 110.5 50.0 -62.4 -54.5 -1.6 -9.5 24.2 97 94 A R H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.4 43.7 -54.3 -33.2 -5.3 -9.4 25.0 98 95 A D H 3< S+ 0 0 92 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.729 126.9 26.4 -84.2 -22.5 -4.9 -13.0 26.3 99 96 A N H << S+ 0 0 37 -4,-1.6 717,-0.3 -3,-0.6 -3,-0.2 0.651 79.9 114.0-118.7 -21.6 -1.6 -12.5 28.3 100 97 A V S < S- 0 0 3 -4,-3.0 748,-0.2 -5,-0.2 2,-0.1 -0.306 76.3-104.4 -56.2 134.3 -1.2 -8.9 29.5 101 98 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.439 38.3-102.6 -68.3 141.6 -1.4 -8.9 33.3 102 99 A A - 0 0 16 1,-0.1 102,-0.2 -2,-0.1 6,-0.1 -0.150 42.9 -90.8 -58.6 143.9 -4.5 -7.6 34.9 103 100 A F + 0 0 6 100,-2.2 102,-0.4 -26,-0.1 -1,-0.1 -0.316 45.1 178.1 -51.6 130.1 -4.7 -4.2 36.5 104 101 A E >> - 0 0 69 -3,-0.1 4,-2.5 1,-0.1 3,-1.6 -0.935 24.4-144.4-137.1 122.0 -3.7 -4.1 40.2 105 102 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.828 98.2 48.0 -61.3 -34.7 -3.7 -0.8 41.9 106 103 A H T 34 S+ 0 0 101 1,-0.1 21,-0.0 22,-0.1 0, 0.0 0.659 126.3 26.7 -77.9 -12.5 -0.8 -1.4 44.2 107 104 A I T <4 S+ 0 0 5 -3,-1.6 -1,-0.1 2,-0.1 814,-0.1 0.813 85.5 100.5-116.8 -50.7 1.4 -2.9 41.3 108 105 A T < - 0 0 9 -4,-2.5 -5,-0.0 -6,-0.1 -6,-0.0 -0.200 64.7-133.7 -55.3 117.1 0.6 -1.6 37.8 109 106 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.223 17.2-117.8 -66.2 162.2 3.1 1.1 36.6 110 107 A T - 0 0 19 4,-0.1 2,-0.4 -36,-0.1 -36,-0.3 -0.552 18.6-139.2 -92.2 162.1 1.9 4.3 35.0 111 108 A R S S- 0 0 65 -38,-2.1 -36,-0.2 -2,-0.2 -38,-0.1 -0.995 77.3 -7.0-125.9 131.5 2.8 5.4 31.5 112 109 A A S S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.1 -38,-0.1 0.666 99.8 108.3 63.8 21.5 3.7 9.0 30.5 113 110 A X S S- 0 0 38 -40,-0.2 -74,-0.4 1,-0.1 4,-0.3 0.747 76.9-118.9 -97.0 -31.5 2.9 10.4 34.0 114 111 A G > - 0 0 35 1,-0.1 4,-2.0 2,-0.1 3,-0.3 -0.079 24.0 -78.0 110.8 158.6 6.4 11.1 35.3 115 112 A K H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.737 124.3 61.6 -60.7 -29.7 8.7 10.1 38.1 116 113 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.964 108.1 44.6 -61.4 -46.6 6.9 12.3 40.6 117 114 A V H > S+ 0 0 3 -3,-0.3 4,-3.0 -4,-0.3 5,-0.2 0.908 110.1 53.9 -62.3 -46.1 3.8 10.2 40.0 118 115 A E H X S+ 0 0 57 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.878 113.9 43.3 -57.2 -40.2 5.7 6.9 40.1 119 116 A C H >< S+ 0 0 17 -4,-2.0 3,-0.7 2,-0.2 4,-0.5 0.936 115.1 49.2 -65.7 -51.1 7.1 8.0 43.6 120 117 A F H >< S+ 0 0 1 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.934 105.7 55.0 -55.1 -51.8 3.7 9.3 44.8 121 118 A R H 3< S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.702 113.8 40.4 -65.8 -20.5 1.6 6.2 43.9 122 119 A T T << S+ 0 0 35 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.328 90.4 117.4-103.9 4.2 3.9 3.8 45.9 123 120 A Y S X S- 0 0 35 -3,-1.7 3,-2.1 -4,-0.5 783,-0.1 -0.487 80.7 -88.7 -74.8 138.8 4.3 6.2 48.8 124 121 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.207 110.1 11.7 -52.4 132.0 2.9 5.0 52.2 125 122 A N T 3 S+ 0 0 141 1,-0.3 15,-0.4 -3,-0.1 2,-0.3 0.425 91.6 131.0 78.8 2.8 -0.8 5.9 52.7 126 123 A V < - 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0 0 102 -23,-1.4 -23,-0.2 -2,-0.3 -20,-0.0 -0.693 41.2-153.1 -82.2 78.9 35.7 0.9 47.4 1019 217 B Y - 0 0 55 -2,-1.8 2,-0.4 -25,-0.1 -34,-0.1 -0.363 9.7-161.8 -61.3 136.7 33.9 -1.8 45.5 1020 218 B D >> - 0 0 64 1,-0.1 3,-0.9 -2,-0.0 4,-0.7 -0.943 14.5-167.5-132.0 108.3 35.2 -1.9 41.9 1021 219 B S H 3> S+ 0 0 48 -2,-0.4 4,-1.4 1,-0.2 -40,-0.1 0.551 80.8 73.9 -75.9 -9.6 33.1 -3.6 39.2 1022 220 B D H 3> S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.861 99.2 47.9 -71.9 -28.4 35.8 -3.6 36.6 1023 221 B K H <> S+ 0 0 61 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.784 104.3 61.0 -77.4 -26.6 37.5 -6.4 38.5 1024 222 B F H X S+ 0 0 11 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.896 104.0 50.0 -60.5 -41.0 34.1 -8.1 38.7 1025 223 B V H X S+ 0 0 32 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.892 109.7 49.6 -68.6 -38.4 34.2 -8.3 34.9 1026 224 B E H X S+ 0 0 115 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.934 110.6 50.6 -63.3 -44.2 37.8 -9.7 34.9 1027 225 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.881 107.9 55.2 -59.8 -39.8 36.7 -12.3 37.4 1028 226 B G H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 104.7 49.8 -60.0 -51.8 33.7 -13.2 35.2 1029 227 B V H X S+ 0 0 96 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.890 116.1 43.6 -55.2 -43.4 35.6 -14.0 32.0 1030 228 B E H X S+ 0 0 57 -4,-1.6 4,-1.4 1,-0.2 3,-0.4 0.912 110.6 55.1 -73.2 -40.5 38.0 -16.3 34.0 1031 229 B F H X S+ 0 0 4 -4,-2.6 4,-4.1 1,-0.2 3,-0.3 0.875 105.0 52.2 -60.2 -39.7 35.2 -17.9 35.9 1032 230 B E H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.789 109.8 50.0 -72.6 -24.0 33.4 -18.9 32.8 1033 231 B Q H < S+ 0 0 145 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.754 129.9 19.5 -69.7 -31.6 36.6 -20.5 31.4 1034 232 B K H < S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.751 116.0 54.5-114.9 -37.9 37.1 -22.4 34.7 1035 233 B G S < S- 0 0 28 -4,-4.1 2,-0.6 -5,-0.2 20,-0.0 -0.228 85.2 -82.0-102.6-173.5 33.8 -22.7 36.7 1036 234 B T + 0 0 98 -2,-0.1 15,-0.4 15,-0.1 2,-0.3 -0.826 49.9 155.4 -99.8 119.9 30.3 -23.9 36.2 1037 235 B V - 0 0 24 -2,-0.6 2,-0.4 -5,-0.2 13,-0.2 -0.988 30.5-143.2-145.3 130.4 27.8 -21.5 34.6 1038 236 B T E -E 1049 0K 64 11,-2.9 11,-2.6 -2,-0.3 2,-0.4 -0.810 19.0-163.8 -95.9 132.2 24.6 -22.4 32.8 1039 237 B X E +E 1048 0K 86 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.936 23.3 134.7-119.8 140.9 23.7 -20.3 29.8 1040 238 B G E -E 1047 0K 25 7,-1.4 7,-2.6 -2,-0.4 2,-0.3 -0.947 44.7 -94.6-170.2 173.7 20.4 -20.0 28.0 1041 239 B K E -E 1046 0K 82 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.771 12.9-166.6-109.8 143.7 18.1 -17.3 26.5 1042 240 B I E > S-E 1045 0K 1 3,-2.1 3,-2.4 -2,-0.3 2,-0.3 -0.946 80.8 -51.1-121.4 108.3 15.1 -15.4 27.8 1043 241 B G T 3 S- 0 0 21 -2,-0.5 -199,-0.2 1,-0.3 -200,-0.1 -0.490 123.4 -24.3 54.5-124.4 13.7 -13.9 24.7 1044 242 B N T 3 S+ 0 0 42 -201,-2.6 2,-0.4 -2,-0.3 -1,-0.3 0.479 114.7 113.7 -84.8 -9.1 16.7 -12.2 23.2 1045 243 B A E < - E 01042K 1 -3,-2.4 -3,-2.1 -202,-0.2 2,-0.5 -0.562 64.0-138.9 -73.2 122.3 18.5 -11.9 26.6 1046 244 B K E - E 01041K 35 -2,-0.4 -71,-1.6 -5,-0.2 -70,-0.3 -0.697 32.4-166.8 -72.8 124.2 21.6 -13.9 27.1 1047 245 B C E -DE 9741040K 0 -7,-2.6 -7,-1.4 -2,-0.5 2,-0.4 -0.814 16.8-158.2-123.0 152.3 21.3 -15.3 30.6 1048 246 B R E -DE 9731039K 30 -75,-1.8 -75,-2.7 -2,-0.3 2,-0.4 -0.998 2.8-169.7-132.0 134.1 23.6 -17.0 33.1 1049 247 B L E +DE 9721038K 9 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.3 -0.991 22.2 153.8-122.9 125.3 22.7 -19.2 36.1 1050 248 B X E -D 971 0K 4 -79,-2.2 -79,-2.9 -2,-0.4 2,-0.4 -0.968 47.6 -95.1-146.0 159.2 25.4 -20.1 38.6 1051 249 B K E > -D 970 0K 52 -15,-0.4 4,-1.7 -2,-0.3 3,-0.3 -0.626 28.1-143.4 -74.9 130.2 25.9 -21.1 42.2 1052 250 B Q H > S+ 0 0 0 -83,-2.8 4,-2.6 -2,-0.4 5,-0.3 0.879 99.5 57.1 -63.9 -38.9 26.7 -18.1 44.3 1053 251 B R H > S+ 0 0 83 -84,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.866 105.2 53.3 -60.0 -35.7 29.2 -20.1 46.5 1054 252 B D H > S+ 0 0 65 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.919 113.8 38.4 -67.8 -49.3 31.2 -21.1 43.4 1055 253 B I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.933 116.7 51.6 -72.5 -40.5 31.7 -17.6 42.0 1056 254 B V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.922 112.6 46.0 -58.2 -44.3 32.2 -16.0 45.5 1057 255 B D H X S+ 0 0 72 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.911 114.4 48.2 -65.2 -40.3 34.9 -18.7 46.3 1058 256 B F H X S+ 0 0 45 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.900 112.8 47.7 -64.4 -44.5 36.6 -18.2 42.9 1059 257 B G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.864 106.0 57.7 -65.8 -39.1 36.6 -14.5 43.3 1060 258 B T H X S+ 0 0 11 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.910 111.6 42.7 -57.2 -42.8 38.0 -14.6 46.8 1061 259 B E H X S+ 0 0 112 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.914 111.2 56.0 -69.3 -42.9 41.0 -16.6 45.4 1062 260 B W H < S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 107.8 47.4 -54.7 -48.4 41.3 -14.3 42.4 1063 261 B F H < S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.8 50.8 -64.5 -34.7 41.6 -11.2 44.6 1064 262 B R H < 0 0 142 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 360.0 360.0 -69.3 -35.7 44.2 -13.0 46.8 1065 263 B K < 0 0 175 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.0 -0.877 360.0 360.0 109.3 360.0 46.2 -13.9 43.6