==== 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 HYDROLASE 19-JUN-11 3B12 . COMPND 2 MOLECULE: FLUOROACETATE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP.; . AUTHOR R.OMI,K.HIROTSU . 588 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 4 6 4 1 3 0 2 2 2 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 82 0, 0.0 42,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 150.7 -11.9 25.2 32.5 2 2 A F > - 0 0 18 40,-0.5 3,-1.8 1,-0.2 19,-0.1 0.868 360.0-165.9 54.1 42.7 -14.8 27.5 33.5 3 3 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.2 19,-0.0 3,-0.1 -0.383 72.6 14.5 -59.6 129.9 -15.8 25.2 36.5 4 4 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.205 98.8 122.8 87.2 -15.9 -19.2 26.1 37.8 5 5 A F < - 0 0 25 -3,-1.8 2,-0.4 17,-0.1 -1,-0.3 -0.516 64.2-122.7 -73.7 144.5 -20.0 28.1 34.6 6 6 A E E -A 21 0A 116 15,-3.1 15,-2.3 -2,-0.2 2,-0.5 -0.769 19.2-140.2 -86.0 134.2 -23.1 27.2 32.6 7 7 A R E +A 20 0A 204 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.845 27.8 179.5 -94.7 128.9 -22.4 26.3 28.9 8 8 A R E -A 19 0A 93 11,-2.7 11,-2.6 -2,-0.5 2,-0.5 -0.992 29.0-160.5-135.9 139.8 -25.1 27.7 26.6 9 9 A L E -A 18 0A 116 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.973 28.8-167.7-113.6 111.0 -25.8 27.6 22.8 10 10 A V E -A 17 0A 8 7,-2.8 7,-3.0 -2,-0.5 2,-0.4 -0.892 20.5-137.7-115.1 121.9 -28.2 30.5 22.3 11 11 A D E +A 16 0A 118 -2,-0.5 5,-0.2 5,-0.3 3,-0.1 -0.630 24.7 174.8 -71.3 123.3 -30.2 31.2 19.1 12 12 A V - 0 0 18 3,-2.8 2,-0.4 -2,-0.4 4,-0.1 0.201 62.4 -66.7-118.7 15.3 -30.1 35.0 18.5 13 13 A G S S- 0 0 69 2,-0.5 -2,-0.0 75,-0.0 72,-0.0 -0.884 116.7 -0.8 140.0-105.4 -31.9 35.2 15.2 14 14 A D S S+ 0 0 135 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 0.412 129.5 51.1 -98.0 -0.1 -30.2 33.7 12.2 15 15 A V S S- 0 0 4 51,-0.1 -3,-2.8 -5,-0.0 -2,-0.5 -0.879 72.4-132.4-130.3 165.2 -27.2 32.6 14.2 16 16 A T E -A 11 0A 37 -2,-0.3 50,-2.5 -5,-0.2 2,-0.5 -0.979 20.0-150.1-117.9 131.8 -26.4 30.6 17.3 17 17 A I E -A 10 0A 0 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.4 -0.903 4.6-145.1-109.3 125.6 -23.9 32.0 19.8 18 18 A N E +A 9 0A 24 -2,-0.5 40,-2.7 40,-0.3 2,-0.3 -0.717 35.2 152.4 -84.1 132.8 -21.8 29.8 22.0 19 19 A C E -AB 8 57A 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.3 -0.968 38.1-136.2-153.1 166.9 -21.1 31.1 25.5 20 20 A V E -AB 7 56A 7 36,-2.2 36,-2.4 -2,-0.3 2,-0.4 -0.971 19.4-163.1-125.3 146.9 -20.4 30.4 29.1 21 21 A V E +AB 6 55A 22 -15,-2.3 -15,-3.1 -2,-0.3 2,-0.3 -0.996 20.2 147.0-134.3 128.1 -22.1 32.2 32.1 22 22 A G E + B 0 54A 8 32,-2.2 32,-2.9 -2,-0.4 2,-0.1 -0.979 32.4 35.3-153.5 164.4 -20.9 32.3 35.7 23 23 A G E - B 0 53A 47 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.404 66.6 -97.1 92.6-167.1 -20.8 34.4 38.8 24 24 A S + 0 0 78 25,-1.1 30,-0.0 28,-0.8 -2,-0.0 -0.975 69.8 52.5-154.6 157.1 -23.3 36.9 40.2 25 25 A G S S- 0 0 45 -2,-0.3 28,-0.3 27,-0.2 27,-0.2 -0.710 94.6 -0.8 108.7-166.4 -23.7 40.7 40.2 26 26 A P S S- 0 0 41 0, 0.0 27,-2.3 0, 0.0 2,-0.2 -0.184 85.4 -94.7 -58.3 149.3 -23.8 43.1 37.3 27 27 A A E -c 53 0A 6 70,-0.4 72,-2.8 25,-0.2 2,-0.4 -0.457 39.4-174.5 -70.4 137.1 -23.4 41.7 33.8 28 28 A L E -cd 54 99A 0 25,-2.6 27,-3.0 70,-0.2 2,-0.5 -0.963 7.6-160.1-134.0 113.2 -20.0 41.6 32.2 29 29 A L E -cd 55 100A 0 70,-3.0 72,-2.8 -2,-0.4 2,-0.5 -0.853 4.2-162.4 -97.0 124.4 -19.6 40.5 28.6 30 30 A L E -cd 56 101A 0 25,-3.0 27,-1.5 -2,-0.5 2,-0.5 -0.941 6.1-167.9-109.1 121.1 -16.1 39.4 27.6 31 31 A L E -cd 57 102A 0 70,-2.8 72,-2.8 -2,-0.5 75,-0.2 -0.946 8.1-148.0-116.7 125.3 -15.4 39.2 23.9 32 32 A H - 0 0 0 25,-0.7 74,-0.6 -2,-0.5 2,-0.1 -0.079 8.3-143.6 -78.1 179.3 -12.3 37.5 22.4 33 33 A G > - 0 0 0 72,-0.2 3,-1.9 4,-0.2 71,-0.1 -0.328 39.6 -13.4-126.6-151.2 -10.2 38.2 19.3 34 34 A F T 3 S+ 0 0 1 1,-0.3 3,-0.1 -2,-0.1 71,-0.0 -0.868 118.6 1.1-113.9 136.3 -8.3 36.5 16.5 35 35 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.260 121.3 72.3 -97.5 74.1 -7.3 33.7 16.2 36 36 A Q < - 0 0 0 -3,-1.9 27,-0.3 162,-0.1 2,-0.2 -0.486 55.7-152.8-131.1-165.2 -8.9 32.8 19.6 37 37 A N > - 0 0 6 -2,-0.2 3,-2.4 25,-0.1 -4,-0.2 -0.844 55.0 -53.7-159.1-169.1 -12.3 32.2 21.2 38 38 A L G > S+ 0 0 2 1,-0.3 3,-2.0 -2,-0.2 20,-0.0 0.702 117.8 78.2 -57.1 -20.2 -14.0 32.5 24.6 39 39 A H G > S+ 0 0 34 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.657 72.8 77.5 -67.6 -12.4 -11.2 30.3 26.1 40 40 A M G < S+ 0 0 3 -3,-2.4 3,-0.3 1,-0.3 4,-0.3 0.755 96.2 50.5 -62.4 -20.3 -8.9 33.3 26.2 41 41 A W G <> S+ 0 0 0 -3,-2.0 4,-2.9 -4,-0.2 -1,-0.3 0.264 74.5 113.3 -98.8 9.3 -10.9 34.2 29.3 42 42 A A T <4 S+ 0 0 1 -3,-1.7 -40,-0.5 1,-0.2 -1,-0.2 0.783 89.9 28.2 -56.4 -31.0 -10.6 30.8 31.0 43 43 A R T > S+ 0 0 73 -3,-0.3 4,-1.0 -4,-0.2 -1,-0.2 0.817 121.5 51.0 -98.2 -37.5 -8.6 32.3 33.9 44 44 A V H > S+ 0 0 1 -4,-0.3 4,-1.7 1,-0.2 3,-0.3 0.920 104.2 58.1 -63.6 -46.5 -9.8 35.9 33.9 45 45 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-0.2 0.906 103.6 48.3 -59.7 -49.9 -13.5 35.0 34.0 46 46 A P H 4 S+ 0 0 58 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.849 109.5 56.3 -59.3 -31.3 -13.5 32.9 37.3 47 47 A L H >< S+ 0 0 63 -4,-1.0 3,-0.7 -3,-0.3 -2,-0.2 0.914 112.6 39.5 -64.5 -41.8 -11.5 35.7 39.0 48 48 A L H >X S+ 0 0 0 -4,-1.7 3,-1.9 -3,-0.2 4,-1.7 0.613 93.8 86.6 -83.1 -13.3 -14.1 38.4 38.2 49 49 A A T 3< S+ 0 0 16 -4,-1.4 -25,-1.1 1,-0.3 -1,-0.2 0.591 73.7 71.6 -68.6 -11.6 -17.1 36.1 38.8 50 50 A N T <4 S+ 0 0 108 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.688 117.8 18.8 -71.8 -17.6 -17.1 37.0 42.6 51 51 A E T <4 S+ 0 0 83 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.539 125.1 46.7-126.9 -18.1 -18.4 40.4 41.7 52 52 A Y S < S- 0 0 1 -4,-1.7 2,-1.0 -27,-0.2 -28,-0.8 -0.930 74.3-120.1-129.6 149.7 -19.9 40.1 38.1 53 53 A T E -Bc 23 27A 23 -27,-2.3 -25,-2.6 -2,-0.3 2,-0.5 -0.851 47.0-152.9 -81.9 103.6 -22.2 37.8 36.2 54 54 A V E -Bc 22 28A 0 -32,-2.9 -32,-2.2 -2,-1.0 2,-0.5 -0.740 18.3-174.1 -93.1 123.2 -19.5 37.0 33.6 55 55 A V E -Bc 21 29A 0 -27,-3.0 -25,-3.0 -2,-0.5 2,-0.5 -0.974 2.2-171.2-113.6 122.5 -20.6 36.0 30.1 56 56 A C E -Bc 20 30A 0 -36,-2.4 -36,-2.2 -2,-0.5 2,-0.3 -0.979 16.4-177.7-113.4 124.2 -17.8 34.9 27.7 57 57 A A E -Bc 19 31A 0 -27,-1.5 -25,-0.7 -2,-0.5 2,-0.5 -0.891 27.0-123.0-127.4 150.7 -19.1 34.4 24.1 58 58 A D - 0 0 2 -40,-2.7 -40,-0.3 -2,-0.3 3,-0.1 -0.782 31.6-125.3 -90.2 129.8 -17.8 33.4 20.8 59 59 A L > - 0 0 0 -2,-0.5 3,-2.4 1,-0.1 6,-0.3 -0.361 40.7 -84.1 -64.5 150.2 -18.1 35.8 17.9 60 60 A R T 3 S+ 0 0 12 1,-0.3 7,-0.2 22,-0.1 -1,-0.1 -0.349 123.1 30.4 -51.4 133.1 -19.9 34.8 14.8 61 61 A G T 3 S+ 0 0 0 5,-2.6 147,-0.5 1,-0.3 2,-0.3 0.256 113.2 82.1 95.8 -10.0 -17.2 33.0 12.7 62 62 A Y S X S- 0 0 0 -3,-2.4 3,-2.1 4,-0.3 -1,-0.3 -0.835 87.6 -20.0-130.3 157.9 -15.3 31.8 15.7 63 63 A G T 3 S- 0 0 19 -2,-0.3 -26,-0.1 -27,-0.3 141,-0.0 -0.153 120.5 -21.2 54.7-127.0 -15.3 29.0 18.4 64 64 A G T 3 S+ 0 0 37 -46,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.267 110.1 104.6-101.6 9.5 -18.6 27.3 18.8 65 65 A S S < S- 0 0 3 -3,-2.1 -48,-0.2 -6,-0.3 -6,-0.1 -0.395 84.6 -73.6 -85.6 167.1 -20.8 30.0 17.2 66 66 A S - 0 0 38 -50,-2.5 -5,-2.6 -2,-0.1 -4,-0.3 -0.260 38.1-163.4 -58.4 146.1 -22.4 29.9 13.8 67 67 A K - 0 0 47 -7,-0.2 140,-0.1 -6,-0.2 3,-0.1 -0.650 13.5-171.3-132.6 72.4 -20.0 30.5 10.9 68 68 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.205 37.4 -90.1 -63.9 157.5 -22.2 31.4 7.8 69 69 A V - 0 0 118 1,-0.1 2,-0.2 141,-0.0 7,-0.1 -0.478 54.1-103.4 -61.9 135.3 -20.7 31.6 4.4 70 70 A G - 0 0 21 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.0 -0.438 32.0-122.9 -66.2 134.8 -19.5 35.2 3.8 71 71 A A > - 0 0 31 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.345 28.9-105.4 -69.0 154.6 -21.7 37.3 1.6 72 72 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.829 124.9 41.9 -52.1 -33.9 -20.1 38.9 -1.5 73 73 A D T 3 S- 0 0 103 144,-0.0 145,-0.3 145,-0.0 144,-0.0 0.339 107.6-127.5 -96.4 5.3 -20.1 42.3 0.3 74 74 A H X + 0 0 42 -3,-1.9 3,-2.1 1,-0.1 140,-0.1 0.509 66.0 135.6 67.5 8.4 -19.0 40.8 3.6 75 75 A A G > + 0 0 31 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.778 61.1 63.5 -64.0 -28.0 -21.9 42.5 5.4 76 76 A N G 3 S+ 0 0 39 1,-0.2 -1,-0.3 -7,-0.1 135,-0.1 0.464 106.7 45.9 -76.6 1.9 -22.8 39.4 7.4 77 77 A Y G < S+ 0 0 0 -3,-2.1 -1,-0.2 133,-0.2 -2,-0.2 0.159 84.0 125.9-124.5 17.4 -19.4 39.6 9.1 78 78 A S S <> S- 0 0 5 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.298 74.1-115.4 -66.2 157.0 -19.4 43.4 9.9 79 79 A F H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.807 118.8 60.6 -62.9 -27.4 -18.8 44.5 13.5 80 80 A R H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 108.2 42.1 -61.4 -47.2 -22.4 45.8 13.3 81 81 A A H > S+ 0 0 19 -6,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.914 115.5 49.8 -65.0 -44.1 -23.6 42.3 12.7 82 82 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.894 111.7 48.8 -61.9 -40.8 -21.2 40.8 15.3 83 83 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.894 106.9 55.6 -66.0 -41.7 -22.4 43.4 17.9 84 84 A S H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.908 105.9 52.2 -58.2 -42.7 -26.0 42.7 17.2 85 85 A D H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.916 113.4 43.5 -56.2 -47.2 -25.5 39.0 17.9 86 86 A Q H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.870 112.0 50.7 -75.3 -38.1 -23.9 39.8 21.3 87 87 A R H X S+ 0 0 88 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.918 113.3 47.3 -62.0 -43.1 -26.3 42.4 22.4 88 88 A E H X S+ 0 0 54 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.880 108.3 55.7 -67.8 -37.5 -29.2 40.0 21.6 89 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.961 109.2 46.7 -53.7 -52.9 -27.4 37.2 23.5 90 90 A M H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.3 0.910 111.7 50.8 -60.5 -42.5 -27.2 39.4 26.6 91 91 A R H ><5S+ 0 0 118 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.924 109.0 51.2 -58.6 -46.3 -30.9 40.4 26.2 92 92 A T H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.5 54.0 -61.5 -33.6 -31.9 36.7 25.9 93 93 A L T 3<5S- 0 0 25 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.485 129.2 -98.6 -79.6 -3.8 -29.9 36.0 29.1 94 94 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.485 85.2 124.4 103.2 7.4 -31.9 38.8 30.9 95 95 A F < + 0 0 42 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.871 26.7 170.8-108.8 106.4 -29.4 41.6 30.6 96 96 A E S S+ 0 0 133 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.734 80.4 27.6 -77.7 -26.9 -30.6 44.9 29.0 97 97 A R S S+ 0 0 160 -7,-0.1 -70,-0.4 24,-0.1 2,-0.3 -0.986 74.1 161.5-138.0 145.4 -27.4 46.6 30.1 98 98 A F E - 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0 0 94 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.245 62.3 -69.8 -60.8 140.1 10.9 36.8 9.3 452 157 B A T 3 S+ 0 0 52 1,-0.3 49,-0.0 2,-0.2 -3,-0.0 -0.341 111.1 26.2 -57.0 146.5 12.2 33.4 8.1 453 158 B P T 3> S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 -0.901 105.1 76.7 -96.4 21.2 11.1 30.7 8.4 454 159 B Y H <> S+ 0 0 30 -3,-1.8 4,-2.4 2,-0.2 5,-0.2 0.958 101.8 35.6 -64.1 -58.5 7.4 31.8 8.7 455 160 B P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.917 116.4 57.9 -60.2 -37.0 6.5 32.6 5.1 456 161 B E H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.894 110.5 42.2 -55.4 -43.1 8.7 29.8 3.9 457 162 B K H X S+ 0 0 108 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.883 114.3 49.6 -75.1 -39.4 6.7 27.3 5.9 458 163 B V H >< S+ 0 0 6 -4,-2.4 3,-0.5 -5,-0.2 4,-0.5 0.956 118.1 40.1 -61.8 -50.3 3.3 28.7 5.1 459 164 B I H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 7,-0.3 0.924 110.2 60.6 -63.1 -44.4 4.1 28.7 1.3 460 165 B G H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.726 92.1 66.5 -58.6 -26.1 5.9 25.3 1.6 461 166 B A T << S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.776 129.5 -2.7 -68.5 -26.6 2.7 23.6 2.8 462 167 B D <> + 0 0 50 -3,-1.7 4,-2.2 -4,-0.5 -1,-0.2 -0.411 68.6 171.7-163.4 76.7 1.1 24.2 -0.6 463 168 B P H > S+ 0 0 21 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.864 78.2 58.3 -61.7 -35.7 3.2 26.1 -3.0 464 169 B D H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.941 109.7 43.1 -61.1 -47.9 0.9 25.6 -6.0 465 170 B T H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 116.3 49.1 -60.0 -48.2 -2.0 27.2 -4.3 466 171 B F H X S+ 0 0 1 -4,-2.2 4,-0.6 -7,-0.3 -2,-0.2 0.940 117.7 36.9 -58.7 -52.3 0.1 30.1 -2.9 467 172 B Y H >X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 3,-0.6 0.832 110.6 59.0 -78.4 -30.8 1.9 31.0 -6.2 468 173 B E H 3X S+ 0 0 56 -4,-2.4 4,-2.9 -5,-0.4 5,-0.3 0.896 103.5 56.1 -59.5 -37.0 -1.1 30.4 -8.5 469 174 B G H 3X>S+ 0 0 12 -4,-1.8 4,-1.4 -5,-0.3 5,-0.7 0.743 103.8 53.9 -65.1 -25.4 -2.8 33.1 -6.3 470 175 B C H <<>S+ 0 0 0 -4,-0.6 5,-1.9 -3,-0.6 -2,-0.2 0.923 112.8 41.9 -70.4 -47.6 0.1 35.4 -7.1 471 176 B L H <5S+ 0 0 0 -4,-2.0 6,-1.8 1,-0.2 96,-0.3 0.930 127.4 30.5 -62.1 -46.7 -0.5 34.9 -10.9 472 177 B F H <5S+ 0 0 74 -4,-2.9 -3,-0.2 4,-0.2 -1,-0.2 0.726 125.3 38.7 -91.6 -25.9 -4.3 35.1 -10.8 473 178 B G T ><5S+ 0 0 41 -4,-1.4 3,-1.9 -5,-0.3 -3,-0.2 0.821 131.6 7.7 -92.5 -97.2 -4.9 37.4 -7.9 474 179 B W T 3 - 0 0 53 -2,-0.5 3,-2.1 1,-0.1 4,-0.2 -0.199 21.4-113.7 -62.9 150.4 -6.2 34.7 -15.8 479 184 B A G > S+ 0 0 54 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.784 111.8 66.0 -53.7 -34.8 -5.1 31.0 -16.0 480 185 B D G 3 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.655 90.3 67.2 -66.8 -14.6 -6.0 30.8 -19.8 481 186 B G G < S+ 0 0 13 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.496 84.1 89.8 -82.4 -5.2 -3.2 33.3 -20.5 482 187 B F S < S- 0 0 14 -3,-1.7 89,-0.1 -4,-0.2 88,-0.0 -0.830 74.8-131.3-102.0 128.4 -0.4 31.0 -19.5 483 188 B D > - 0 0 50 -2,-0.5 4,-2.8 87,-0.2 3,-0.3 -0.590 20.2-133.3 -69.0 128.0 1.3 28.5 -21.8 484 189 B P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.835 103.8 54.1 -54.1 -36.9 1.4 25.1 -20.1 485 190 B E H > S+ 0 0 107 2,-0.2 4,-1.0 1,-0.2 -151,-0.0 0.910 112.9 41.8 -66.4 -42.3 5.1 24.5 -21.0 486 191 B Q H >> S+ 0 0 3 -3,-0.3 4,-1.8 2,-0.2 3,-0.5 0.930 112.2 55.6 -68.4 -43.6 6.1 27.8 -19.4 487 192 B L H 3X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.880 102.4 56.3 -57.1 -40.5 3.8 27.3 -16.4 488 193 B E H 3X S+ 0 0 98 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.853 105.8 50.6 -63.9 -33.1 5.4 23.9 -15.6 489 194 B E H < S+ 0 0 14 -4,-1.2 3,-1.5 -3,-0.4 -2,-0.2 0.879 106.3 59.7 -69.6 -39.7 10.5 26.7 -8.9 494 199 B W H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 108.8 45.5 -55.0 -36.6 7.4 27.1 -6.7 495 200 B R T 3< S+ 0 0 144 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.440 88.5 101.0 -90.4 -1.2 8.1 23.7 -5.2 496 201 B D X> - 0 0 51 -3,-1.5 4,-2.3 -4,-0.2 3,-1.0 -0.763 60.6-156.2 -88.7 109.3 11.8 24.3 -4.6 497 202 B P H 3> S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.824 94.3 56.4 -58.2 -30.2 12.3 25.2 -0.9 498 203 B A H 3> S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.840 109.9 45.2 -68.2 -33.8 15.6 27.1 -1.8 499 204 B A H <> S+ 0 0 2 -3,-1.0 4,-2.6 -6,-0.2 5,-0.3 0.826 108.5 56.0 -76.3 -36.8 13.6 29.3 -4.3 500 205 B I H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.960 114.3 41.3 -57.0 -48.2 10.8 29.8 -1.7 501 206 B H H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.939 114.0 51.2 -64.2 -48.4 13.5 31.1 0.6 502 207 B G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 111.6 46.6 -58.6 -46.4 15.4 33.1 -2.0 503 208 B S H X S+ 0 0 3 -4,-2.6 4,-1.8 -147,-0.5 -1,-0.2 0.888 110.2 53.1 -66.7 -37.5 12.3 34.9 -3.2 504 209 B C H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.934 108.7 51.0 -59.2 -43.2 11.2 35.7 0.3 505 210 B C H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.873 103.3 58.5 -63.4 -37.2 14.6 37.2 0.9 506 211 B D H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.942 110.0 43.8 -51.3 -49.9 14.2 39.3 -2.2 507 212 B Y H X S+ 0 0 9 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.837 110.1 55.2 -68.2 -34.2 11.1 40.8 -0.6 508 213 B R H < S+ 0 0 7 -4,-2.2 4,-0.4 -60,-0.3 3,-0.3 0.928 112.4 42.8 -62.7 -46.0 12.7 41.2 2.8 509 214 B A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-1.5 0.889 106.8 65.2 -62.4 -38.7 15.5 43.3 1.1 510 215 B G H 3<5S+ 0 0 3 -4,-2.3 5,-0.4 1,-0.3 -2,-0.2 0.852 106.4 40.3 -52.7 -41.3 12.8 45.1 -0.9 511 216 B G T 3<5S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.421 130.3 22.3 -91.3 -0.6 11.3 46.6 2.2 512 217 B T T <>5S+ 0 0 41 -3,-1.5 4,-2.4 -4,-0.4 5,-0.2 0.438 128.2 20.3-126.4 -92.5 14.7 47.4 3.9 513 218 B I H >5S+ 0 0 43 -145,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 126.1 49.4 -55.8 -43.5 18.0 47.8 2.1 514 219 B D H > S+ 0 0 7 -6,-0.6 4,-2.6 -5,-0.4 -1,-0.2 0.919 113.6 47.6 -59.3 -45.3 14.1 51.1 0.0 516 221 B E H X S+ 0 0 101 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.905 112.5 47.4 -65.3 -43.8 17.0 52.8 1.8 517 222 B L H X S+ 0 0 44 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.924 113.6 49.0 -62.7 -43.6 19.3 52.8 -1.2 518 223 B D H >< S+ 0 0 22 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.914 107.4 54.5 -63.3 -43.2 16.5 54.1 -3.4 519 224 B H H >< S+ 0 0 93 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.904 104.9 54.9 -55.0 -42.8 15.7 56.9 -0.9 520 225 B G H 3< S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.710 108.2 50.1 -63.1 -21.8 19.4 57.9 -1.1 521 226 B D T X< S+ 0 0 33 -3,-1.1 3,-2.1 -4,-0.8 -1,-0.3 0.308 76.2 138.5-102.9 5.9 19.1 58.3 -4.9 522 227 B L T < + 0 0 77 -3,-1.4 3,-0.1 -4,-0.3 -3,-0.0 -0.272 69.8 26.1 -54.5 135.9 16.0 60.4 -5.0 523 228 B G T 3 S+ 0 0 78 1,-0.4 -1,-0.2 29,-0.0 2,-0.2 0.156 92.0 119.7 91.6 -13.1 16.3 63.1 -7.7 524 229 B R < - 0 0 106 -3,-2.1 2,-0.4 30,-0.0 -1,-0.4 -0.577 51.2-151.5 -75.6 144.1 18.8 61.2 -9.8 525 230 B Q - 0 0 80 -2,-0.2 2,-0.3 -3,-0.1 29,-0.3 -0.978 15.5-125.3-120.7 134.2 17.6 60.4 -13.3 526 231 B V B -p 554 0D 8 27,-2.7 29,-2.7 -2,-0.4 30,-0.5 -0.607 24.4-162.0 -67.2 130.7 18.6 57.5 -15.6 527 232 B Q + 0 0 134 -2,-0.3 -1,-0.1 -118,-0.2 3,-0.1 0.750 56.4 88.8 -94.3 -27.5 19.9 59.2 -18.8 528 233 B C S S- 0 0 26 1,-0.2 28,-0.5 -112,-0.1 -110,-0.2 -0.189 97.4 -74.0 -67.9 161.7 19.7 56.4 -21.3 529 234 B P - 0 0 25 0, 0.0 -110,-2.2 0, 0.0 2,-0.3 -0.357 60.4-168.4 -56.7 136.6 16.6 55.7 -23.4 530 235 B A E -no 419 557C 1 26,-2.6 28,-2.1 -112,-0.2 2,-0.4 -0.961 17.5-155.6-133.4 149.0 14.0 54.1 -21.2 531 236 B L E -no 420 558C 6 -112,-2.5 -110,-2.9 -2,-0.3 2,-0.6 -0.993 3.9-160.0-125.2 127.5 10.6 52.4 -21.7 532 237 B V E -no 421 559C 1 26,-2.8 28,-2.4 -2,-0.4 2,-0.5 -0.946 21.2-178.7-103.3 115.1 7.9 52.1 -19.0 533 238 B F E +no 422 560C 0 -112,-2.4 -110,-2.5 -2,-0.6 28,-0.2 -0.932 5.5 176.6-129.5 103.9 5.8 49.2 -20.2 534 239 B S E - 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