==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-11 3R3Z . COMPND 2 MOLECULE: FLUOROACETATE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR P.W.Y.CHAN,A.F.YAKUNIN,E.A.EDWARDS,E.F.PAI . 1196 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 832 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 50 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 409 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 11 3 12 1 3 0 0 8 10 1 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 8 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 1 7 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 4 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 G 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.3 36.0 10.8 92.8 2 0 A H + 0 0 162 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.694 360.0 100.0 -83.0 -16.4 35.2 11.9 89.2 3 1 A M S S- 0 0 96 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.520 72.0-129.7 -77.8 128.0 32.3 9.5 88.6 4 2 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.287 33.2 -89.3 -67.7 159.7 28.9 11.2 89.0 5 3 A D + 0 0 155 -2,-0.0 2,-0.4 2,-0.0 -2,-0.0 -0.643 61.0 164.9 -72.4 108.4 26.2 9.7 91.2 6 4 A L - 0 0 34 -2,-0.8 194,-0.1 -3,-0.1 193,-0.1 -0.999 35.7-112.4-132.9 137.7 24.3 7.4 88.8 7 5 A A - 0 0 35 -2,-0.4 2,-1.0 192,-0.3 196,-0.0 -0.276 19.7-123.6 -71.7 143.3 21.9 4.7 89.7 8 6 A D + 0 0 91 1,-0.1 -1,-0.1 -2,-0.0 191,-0.0 -0.836 33.9 174.6 -83.0 101.4 22.6 0.9 89.2 9 7 A L + 0 0 10 -2,-1.0 -1,-0.1 1,-0.2 -2,-0.0 0.273 63.5 65.5 -94.6 5.9 19.6 0.0 87.1 10 8 A F S > S- 0 0 2 3,-0.1 3,-2.4 43,-0.1 -1,-0.2 -0.560 75.8-156.6-131.0 66.5 20.6 -3.6 86.4 11 9 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.176 80.0 8.3 -38.0 113.0 20.6 -5.4 89.8 12 10 A G T 3 S+ 0 0 83 1,-0.3 2,-0.2 18,-0.1 19,-0.1 0.122 96.2 123.9 97.8 -17.5 22.8 -8.4 89.5 13 11 A F < - 0 0 21 -3,-2.4 -1,-0.3 17,-0.1 17,-0.2 -0.545 56.9-128.0 -79.1 145.5 24.4 -7.6 86.1 14 12 A G E -A 29 0A 38 15,-2.6 15,-1.4 -2,-0.2 2,-0.4 -0.158 16.1-128.1 -74.9 171.5 28.2 -7.4 85.8 15 13 A S E -A 28 0A 57 13,-0.2 2,-0.4 2,-0.0 13,-0.2 -1.000 27.2-178.6-129.2 124.8 30.0 -4.4 84.2 16 14 A E E -A 27 0A 81 11,-2.9 11,-2.5 -2,-0.4 2,-0.6 -0.989 24.3-157.3-127.9 136.4 32.6 -4.9 81.5 17 15 A W E -A 26 0A 121 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.947 30.2-156.6-107.9 106.3 34.7 -2.5 79.6 18 16 A I E -A 25 0A 10 7,-3.1 7,-2.4 -2,-0.6 2,-0.1 -0.700 6.8-131.1 -95.9 118.8 35.5 -4.6 76.5 19 17 A N + 0 0 100 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.418 31.6 165.2 -71.2 144.1 38.5 -4.0 74.3 20 18 A T > - 0 0 24 -2,-0.1 3,-1.0 80,-0.0 73,-0.1 -0.956 52.7 -97.7-140.1 175.7 38.3 -3.7 70.6 21 19 A S T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 72,-0.1 0.664 124.0 40.1 -70.0 -11.0 40.6 -2.4 67.8 22 20 A S T 3 S- 0 0 59 1,-0.5 -1,-0.2 71,-0.1 2,-0.2 0.430 128.7 -61.0-115.9 -1.8 38.7 0.9 67.8 23 21 A G < - 0 0 18 -3,-1.0 -1,-0.5 53,-0.1 2,-0.1 -0.634 67.4 -57.1 137.2 168.9 38.2 1.5 71.6 24 22 A R - 0 0 96 -2,-0.2 50,-2.2 -5,-0.2 2,-0.5 -0.425 39.3-145.4 -83.2 147.2 36.5 -0.1 74.5 25 23 A I E -A 18 0A 1 -7,-2.4 -7,-3.1 48,-0.2 2,-0.4 -0.942 12.7-141.8-105.4 126.5 32.8 -0.9 74.6 26 24 A F E +A 17 0A 2 -2,-0.5 40,-2.7 40,-0.3 2,-0.3 -0.740 30.4 166.2 -85.6 137.2 31.0 -0.6 77.9 27 25 A A E -AB 16 65A 0 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.4 -0.997 36.1-138.2-148.8 148.8 28.4 -3.2 78.7 28 26 A R E -AB 15 64A 19 36,-2.3 36,-3.2 -2,-0.3 2,-0.4 -0.871 27.7-163.9 -91.8 141.0 26.2 -4.6 81.5 29 27 A V E +AB 14 63A 17 -15,-1.4 -15,-2.6 -2,-0.4 2,-0.3 -0.982 19.4 149.2-136.7 123.0 26.1 -8.4 81.2 30 28 A G E + B 0 62A 9 32,-2.2 32,-3.1 -2,-0.4 -17,-0.1 -0.993 28.5 36.5-149.8 160.9 23.5 -10.5 83.0 31 29 A G E - B 0 61A 46 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.193 67.2 -87.6 87.2-176.3 21.5 -13.7 82.8 32 30 A D S S+ 0 0 140 25,-1.2 -1,-0.0 28,-0.6 29,-0.0 -1.000 72.8 51.7-144.1 124.2 22.0 -17.1 81.6 33 31 A G S S- 0 0 37 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.853 90.8 -17.2 144.6-163.7 21.5 -18.5 78.2 34 32 A P S S- 0 0 77 0, 0.0 27,-2.2 0, 0.0 2,-0.2 -0.266 84.2 -84.4 -70.5 156.6 22.5 -17.8 74.7 35 33 A P E -c 61 0A 23 0, 0.0 72,-2.2 0, 0.0 2,-0.4 -0.477 41.6-179.1 -73.0 138.5 23.8 -14.3 73.9 36 34 A L E -cd 62 107A 0 25,-2.6 27,-3.0 -2,-0.2 2,-0.4 -0.979 12.7-156.6-133.3 111.0 21.5 -11.3 73.2 37 35 A L E -cd 63 108A 2 70,-2.7 72,-2.7 -2,-0.4 2,-0.5 -0.783 6.9-160.6 -88.5 127.5 23.2 -8.0 72.4 38 36 A L E -cd 64 109A 0 25,-2.9 27,-1.7 -2,-0.4 2,-0.5 -0.980 5.5-166.6-114.4 126.9 20.9 -4.9 73.1 39 37 A L E -cd 65 110A 0 70,-2.5 72,-2.6 -2,-0.5 27,-0.1 -0.954 2.8-157.8-123.3 118.9 21.9 -1.6 71.4 40 38 A H - 0 0 0 25,-0.7 74,-0.3 -2,-0.5 2,-0.1 -0.079 8.5-154.0 -74.5-177.1 20.4 1.8 72.4 41 39 A G > - 0 0 0 72,-0.2 3,-1.9 4,-0.2 71,-0.1 -0.407 36.3 -0.3-140.6-146.0 20.2 4.9 70.3 42 40 A F T 3 S+ 0 0 3 1,-0.3 71,-0.1 -2,-0.1 3,-0.1 -0.807 117.8 1.2-105.5 140.3 20.0 8.7 70.6 43 41 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 165,-0.2 -0.440 119.5 75.1-102.5 62.6 19.9 10.6 73.0 44 42 A Q < - 0 0 2 -3,-1.9 2,-0.3 163,-0.1 27,-0.2 -0.405 58.4-142.0-120.2-173.3 20.2 7.6 75.3 45 43 A T > - 0 0 6 -2,-0.1 3,-2.2 25,-0.1 -4,-0.2 -0.858 50.9 -71.0-140.6-175.8 22.6 5.1 76.6 46 44 A H G > S+ 0 0 7 1,-0.3 3,-1.7 -2,-0.3 19,-0.1 0.737 116.9 79.7 -54.2 -25.0 22.5 1.4 77.5 47 45 A V G > S+ 0 0 2 1,-0.3 3,-2.5 2,-0.1 -1,-0.3 0.739 70.3 82.2 -62.7 -17.5 20.3 2.2 80.5 48 46 A M G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.691 86.4 57.7 -58.2 -19.1 17.2 2.5 78.3 49 47 A W G X> S+ 0 0 0 -3,-1.7 4,-2.9 1,-0.2 3,-0.9 0.325 73.3 107.7 -88.6 2.8 16.9 -1.4 78.4 50 48 A H T <4 S+ 0 0 14 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.741 78.1 48.0 -62.6 -20.8 16.6 -1.4 82.2 51 49 A R T 34 S+ 0 0 112 -3,-0.4 -1,-0.3 234,-0.2 4,-0.2 0.717 121.9 33.3 -92.1 -21.8 12.8 -2.2 82.2 52 50 A V T <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.1 5,-0.2 0.667 99.6 78.9-104.5 -24.9 13.1 -5.1 79.7 53 51 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.1 0.847 88.3 55.0 -55.3 -41.5 16.5 -6.5 80.5 54 52 A P H > S+ 0 0 71 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.929 110.1 47.0 -59.0 -49.1 15.5 -8.6 83.6 55 53 A K H >4 S+ 0 0 64 -4,-0.2 3,-1.0 1,-0.2 4,-0.3 0.920 114.2 46.0 -57.9 -45.9 12.8 -10.4 81.8 56 54 A L H >X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 3,-1.6 0.863 104.4 63.9 -65.8 -32.9 15.0 -11.2 78.8 57 55 A A H 3< S+ 0 0 15 -4,-2.3 -25,-1.2 1,-0.3 -1,-0.2 0.659 85.2 75.4 -70.9 -5.6 17.8 -12.3 81.3 58 56 A E T << S+ 0 0 149 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.802 118.7 11.7 -70.1 -28.0 15.5 -15.2 82.5 59 57 A R T <4 S+ 0 0 100 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.2 0.462 125.9 52.3-125.1 -10.3 16.4 -17.0 79.2 60 58 A F S < S- 0 0 14 -4,-1.6 2,-0.9 -27,-0.2 -28,-0.6 -0.920 76.2-117.0-133.7 150.3 19.3 -15.1 77.6 61 59 A K E -Bc 31 35A 46 -27,-2.2 -25,-2.6 -2,-0.3 2,-0.5 -0.858 45.6-152.7 -78.3 108.0 22.7 -13.8 78.5 62 60 A V E -Bc 30 36A 0 -32,-3.1 -32,-2.2 -2,-0.9 2,-0.6 -0.733 15.2-168.1-100.8 124.0 21.8 -10.2 78.0 63 61 A I E -Bc 29 37A 2 -27,-3.0 -25,-2.9 -2,-0.5 2,-0.8 -0.965 3.2-166.5-114.1 113.8 24.7 -7.9 76.9 64 62 A V E -Bc 28 38A 0 -36,-3.2 -36,-2.3 -2,-0.6 2,-0.3 -0.882 18.2-172.7-110.2 99.3 23.6 -4.2 77.2 65 63 A A E -Bc 27 39A 2 -27,-1.7 -25,-0.7 -2,-0.8 2,-0.4 -0.718 27.6-130.7-106.4 145.2 26.2 -2.2 75.4 66 64 A D - 0 0 1 -40,-2.7 -40,-0.3 -2,-0.3 3,-0.1 -0.732 40.5-114.4 -81.5 128.2 26.9 1.5 74.9 67 65 A L > - 0 0 0 -2,-0.4 3,-2.7 1,-0.2 6,-0.3 -0.225 48.8 -72.3 -54.7 155.3 27.4 2.3 71.2 68 66 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 -0.252 124.5 9.9 -50.1 127.0 30.8 3.4 70.1 69 67 A G T 3 S+ 0 0 1 5,-1.9 2,-0.2 1,-0.3 147,-0.2 0.248 111.1 104.8 86.1 -13.5 31.4 7.0 71.3 70 68 A Y S X S- 0 0 3 -3,-2.7 3,-2.2 4,-0.2 -1,-0.3 -0.651 82.4 -21.4-105.0 154.9 28.2 6.9 73.5 71 69 A G T 3 S- 0 0 10 1,-0.3 -26,-0.1 -27,-0.2 142,-0.0 -0.267 129.4 -18.2 60.2-115.0 27.7 6.6 77.3 72 70 A W T 3 S+ 0 0 83 -2,-0.1 -1,-0.3 -46,-0.1 -48,-0.1 0.444 107.8 110.3-104.9 -6.1 30.9 5.0 78.8 73 71 A S S < S- 0 0 0 -3,-2.2 -48,-0.2 -6,-0.3 -6,-0.1 -0.384 78.4 -98.1 -67.9 156.0 32.3 3.5 75.6 74 72 A D - 0 0 46 -50,-2.2 -5,-1.9 1,-0.1 -4,-0.2 -0.244 31.2-120.9 -71.7 162.1 35.5 5.2 74.3 75 73 A M - 0 0 61 -7,-0.2 -1,-0.1 -6,-0.1 3,-0.1 -0.842 23.8-144.5-108.2 102.1 35.2 7.8 71.5 76 74 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -53,-0.1 -0.309 30.3 -98.5 -65.5 141.3 37.2 6.8 68.4 77 75 A E - 0 0 184 -55,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.550 44.9-143.7 -58.3 127.1 38.9 9.6 66.5 78 76 A S - 0 0 30 -2,-0.3 2,-0.3 5,-0.1 -1,-0.1 -0.007 13.2-158.2 -86.9-172.7 36.7 10.5 63.6 79 77 A D > - 0 0 67 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.888 43.3 -73.2-152.0-176.2 37.7 11.6 60.1 80 78 A E T 3 S+ 0 0 176 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.725 132.2 45.9 -61.2 -25.5 36.2 13.5 57.1 81 79 A Q T 3 S- 0 0 121 145,-0.1 -1,-0.3 146,-0.0 146,-0.2 0.286 108.9-123.1 -96.1 3.0 33.9 10.6 56.2 82 80 A H X> + 0 0 31 -3,-2.1 3,-1.8 1,-0.1 4,-0.5 0.802 49.3 171.1 59.7 35.1 32.8 10.2 59.9 83 81 A T G >4 + 0 0 58 1,-0.3 3,-1.6 2,-0.2 6,-0.4 0.791 63.0 48.1 -51.0 -53.2 34.0 6.6 59.5 84 82 A P G 34 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 9,-0.1 0.745 112.3 52.0 -70.1 -12.3 34.0 5.2 63.1 85 83 A Y G <4 S+ 0 0 6 -3,-1.8 -2,-0.2 134,-0.1 2,-0.1 0.423 84.6 108.0-101.0 3.0 30.5 6.6 63.6 86 84 A T S S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.877 113.3 57.8 -58.6 -37.3 26.8 2.0 61.1 88 86 A R H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 111.0 42.2 -58.0 -48.2 29.1 -0.2 59.1 89 87 A A H > S+ 0 0 22 -6,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.898 112.7 51.6 -69.3 -41.6 32.0 0.6 61.4 90 88 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.913 109.2 52.9 -61.3 -36.4 30.0 0.5 64.7 91 89 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.938 108.7 48.7 -63.3 -44.3 28.8 -3.0 63.6 92 90 A K H X S+ 0 0 124 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.913 113.2 48.6 -62.2 -44.3 32.4 -4.2 63.0 93 91 A Q H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.900 110.3 47.8 -61.9 -42.7 33.4 -2.9 66.4 94 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.831 108.8 56.9 -71.2 -31.2 30.5 -4.4 68.3 95 93 A I H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 107.0 48.9 -60.0 -46.6 31.3 -7.7 66.5 96 94 A E H X S+ 0 0 69 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 110.6 51.4 -56.9 -42.4 34.9 -7.5 67.9 97 95 A A H X S+ 0 0 3 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.929 109.3 48.6 -63.6 -46.4 33.4 -6.8 71.4 98 96 A M H <>S+ 0 0 3 -4,-2.6 5,-2.8 1,-0.2 4,-0.5 0.904 109.6 53.5 -60.6 -45.0 31.1 -9.9 71.2 99 97 A E H ><5S+ 0 0 89 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.896 105.6 54.2 -55.4 -42.3 34.1 -12.0 70.1 100 98 A Q H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.4 51.0 -58.4 -34.2 36.0 -10.8 73.1 101 99 A L T 3<5S- 0 0 30 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.500 128.6-100.8 -80.3 -8.6 33.2 -12.0 75.4 102 100 A G T < 5S+ 0 0 60 -3,-1.2 2,-0.6 -4,-0.5 -3,-0.2 0.680 84.5 123.9 100.1 20.4 33.4 -15.3 73.6 103 101 A H < + 0 0 28 -5,-2.8 -2,-0.2 1,-0.1 -1,-0.2 -0.857 23.2 165.2-120.4 100.7 30.4 -14.9 71.3 104 102 A V S S+ 0 0 73 -2,-0.6 2,-0.3 -5,-0.1 -1,-0.1 0.739 78.8 33.4 -82.1 -22.8 31.0 -15.4 67.6 105 103 A H S S+ 0 0 118 -7,-0.1 2,-0.3 -6,-0.0 24,-0.2 -0.945 77.4 155.2-127.1 146.1 27.3 -15.7 66.8 106 104 A F E - e 0 129A 3 22,-2.3 24,-2.0 -2,-0.3 25,-0.4 -0.981 42.0-103.7-161.9 171.3 24.6 -13.9 68.6 107 105 A A E -d 36 0A 6 -72,-2.2 -70,-2.7 -2,-0.3 2,-0.4 -0.754 39.1-160.1 -99.0 154.1 21.0 -12.5 68.7 108 106 A L E +de 37 132A 0 23,-2.0 25,-2.3 -2,-0.3 2,-0.4 -0.996 18.5 179.1-144.3 130.3 20.7 -8.8 68.4 109 107 A A E -de 38 133A 0 -72,-2.7 -70,-2.5 -2,-0.4 2,-0.3 -1.000 13.8-179.4-128.1 138.9 18.0 -6.2 69.2 110 108 A G E -de 39 134A 0 23,-2.0 25,-2.3 -2,-0.4 2,-0.4 -0.950 15.1-153.5-136.8 154.9 18.5 -2.5 68.6 111 109 A H E > - e 0 135A 0 -72,-2.6 3,-1.9 -2,-0.3 4,-0.2 -0.987 63.5 -34.2-124.5 136.9 16.5 0.8 69.1 112 110 A D T >> S+ 0 0 8 23,-1.7 4,-1.5 -2,-0.4 3,-0.8 -0.258 137.7 5.0 55.4-126.1 16.9 4.0 67.1 113 111 A R H 3> S+ 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L H >< S+ 0 0 11 -4,-2.2 3,-0.7 -5,-0.3 -2,-0.2 0.883 115.8 46.5 -65.6 -40.3 9.7 19.3 60.0 154 152 A K H 3< S+ 0 0 120 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.934 126.3 27.1 -71.1 -46.7 9.1 16.2 62.1 155 153 A I T >< S+ 0 0 1 -4,-3.2 3,-1.9 1,-0.2 4,-0.4 -0.283 74.4 143.7-113.6 51.7 12.7 14.9 62.0 156 154 A Y T X> + 0 0 3 -3,-0.7 4,-1.9 1,-0.3 3,-1.3 0.756 61.6 72.9 -58.5 -28.9 14.5 18.1 61.5 157 155 A H H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.766 83.4 68.9 -65.7 -20.9 17.3 16.9 63.7 158 156 A W H <4 S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.835 111.9 30.9 -61.1 -34.4 18.4 14.6 60.8 159 157 A S H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.763 120.3 52.5 -92.3 -31.6 19.5 17.7 58.9 160 158 A F H >< S+ 0 0 1 -4,-1.9 3,-1.6 1,-0.2 -3,-0.2 0.922 111.3 43.6 -66.7 -54.0 20.5 19.9 61.8 161 159 A L T 3< S+ 0 0 1 -4,-2.4 61,-0.3 1,-0.3 -1,-0.2 0.661 108.7 61.3 -72.5 -18.9 22.8 17.6 63.5 162 160 A A T 3 S+ 0 0 2 -5,-0.3 -1,-0.3 59,-0.2 -2,-0.2 0.429 77.5 114.6 -84.8 -3.5 24.4 16.7 60.2 163 161 A Q S < S- 0 0 25 -3,-1.6 59,-0.1 1,-0.1 -3,-0.0 -0.377 83.7 -82.1 -62.0 152.4 25.5 20.3 59.5 164 162 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.182 69.2 -65.5 -57.1 143.3 29.3 20.6 59.4 165 163 A A T 3 S+ 0 0 53 1,-0.3 -4,-0.0 2,-0.2 -3,-0.0 -0.397 112.4 24.9 -63.0 145.0 31.1 21.0 62.7 166 164 A P T 3> S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 -0.877 101.2 82.4-102.8 30.5 31.1 23.1 64.8 167 165 A L H <> S+ 0 0 18 -3,-2.0 4,-1.8 1,-0.2 5,-0.2 0.948 99.8 33.9 -65.6 -55.8 27.7 24.4 64.0 168 166 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.913 117.3 56.3 -63.5 -34.2 25.4 22.0 65.8 169 167 A E H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.896 108.3 47.3 -63.3 -38.8 27.9 21.5 68.6 170 168 A N H < S+ 0 0 48 -4,-2.5 -1,-0.2 2,-0.2 4,-0.2 0.861 113.6 48.0 -72.6 -31.1 28.0 25.2 69.3 171 169 A L H >< S+ 0 0 3 -4,-1.8 3,-1.9 -5,-0.2 4,-0.3 0.939 110.2 50.4 -71.1 -48.2 24.2 25.5 69.3 172 170 A L H >< S+ 0 0 2 -4,-3.0 3,-1.1 1,-0.3 7,-0.2 0.781 99.7 66.4 -62.7 -32.6 23.7 22.4 71.6 173 171 A G T 3< 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B K H X S+ 0 0 84 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.908 113.4 49.1 -71.4 -36.5 28.5 34.8 61.1 487 180 B A H X S+ 0 0 22 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.909 109.7 52.8 -63.9 -42.6 28.5 31.1 60.1 488 181 B K H X S+ 0 0 6 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.937 113.0 44.5 -59.9 -45.5 25.1 31.6 58.4 489 182 B L H >< S+ 0 0 0 -4,-2.4 3,-0.8 -5,-0.2 4,-0.4 0.967 116.0 45.0 -63.3 -52.7 26.5 34.5 56.4 490 183 B A H >< S+ 0 0 16 -4,-2.7 3,-1.6 1,-0.2 6,-0.4 0.899 105.8 61.4 -57.1 -40.9 29.8 32.8 55.4 491 184 B S H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.726 106.3 45.3 -65.4 -26.0 28.2 29.4 54.5 492 185 B W T << S+ 0 0 34 -4,-0.8 88,-3.5 -3,-0.8 89,-0.3 0.323 93.8 96.7-107.2 8.2 26.1 31.0 51.7 493 186 B T S < S- 0 0 11 -3,-1.6 3,-0.2 -4,-0.4 85,-0.0 -0.587 82.0-119.0 -88.4 158.6 28.8 33.2 50.1 494 187 B R S S+ 0 0 138 1,-0.2 -1,-0.1 -2,-0.2 84,-0.0 0.913 116.6 45.5 -61.9 -41.5 30.9 32.1 47.0 495 188 B A S S- 0 0 63 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.717 101.9-132.1 -77.5 -22.2 34.0 32.3 49.2 496 189 B G S S+ 0 0 45 -6,-0.4 2,-0.2 1,-0.3 -6,-0.1 0.705 79.3 73.8 76.1 18.3 32.7 30.5 52.2 497 190 B D S S- 0 0 75 -7,-0.2 3,-0.3 -8,-0.1 -1,-0.3 -0.697 97.1 -93.2-142.8-169.5 34.0 33.3 54.5 498 191 B L S > S+ 0 0 57 -2,-0.2 3,-1.3 1,-0.2 8,-0.1 0.189 85.7 110.6 -98.7 13.8 33.1 36.9 55.5 499 192 B S T 3 S+ 0 0 86 1,-0.3 -1,-0.2 -9,-0.1 -9,-0.0 0.793 71.6 57.6 -63.9 -31.4 35.4 38.5 52.9 500 193 B A T 3 S+ 0 0 24 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.690 95.6 81.7 -70.4 -17.4 32.5 39.8 50.7 501 194 B F S < S- 0 0 10 -3,-1.3 -3,-0.0 1,-0.1 -148,-0.0 -0.657 83.2-120.1 -95.4 140.0 31.0 41.8 53.6 502 195 B D >> - 0 0 27 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 -0.520 27.3-130.2 -61.9 129.1 32.0 45.2 54.9 503 196 B P H 3> S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 107.9 57.4 -55.8 -27.6 32.9 44.6 58.6 504 197 B R H 3> S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -192,-0.2 0.822 106.0 48.8 -70.3 -35.4 30.7 47.5 59.6 505 198 B A H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.904 108.2 54.5 -63.8 -44.3 27.7 45.7 58.0 506 199 B V H X S+ 0 0 14 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.912 104.3 55.2 -56.8 -40.6 28.7 42.5 59.8 507 200 B E H X S+ 0 0 74 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.896 106.4 50.4 -61.1 -44.6 28.6 44.5 63.0 508 201 B H H X S+ 0 0 15 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.932 112.7 47.3 -52.7 -47.6 25.0 45.6 62.3 509 202 B Y H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 113.4 48.0 -62.7 -42.4 24.0 42.0 61.6 510 203 B R H X S+ 0 0 47 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.896 109.4 51.8 -65.6 -44.1 25.7 40.8 64.7 511 204 B I H < S+ 0 0 54 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.895 111.9 46.8 -64.2 -38.3 24.2 43.4 67.0 512 205 B A H >< S+ 0 0 11 -4,-2.2 3,-1.4 -5,-0.2 6,-0.2 0.945 111.8 49.7 -64.7 -44.1 20.7 42.6 65.8 513 206 B F H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 99.4 69.4 -71.3 -22.5 21.3 38.9 66.1 514 207 B A T 3< S+ 0 0 42 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.704 82.2 85.5 -68.7 -14.8 22.6 39.4 69.8 515 208 B D S X> S- 0 0 59 -3,-1.4 4,-2.4 -4,-0.5 3,-0.7 -0.746 70.8-149.3 -93.3 122.6 19.1 40.4 71.0 516 209 B P H 3> S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.812 98.1 56.4 -56.8 -33.5 16.9 37.4 72.0 517 210 B M H 3> S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.914 107.8 47.8 -67.1 -35.1 13.8 39.3 71.0 518 211 B R H <> S+ 0 0 29 -3,-0.7 4,-2.0 -6,-0.2 -1,-0.2 0.910 110.4 51.2 -71.6 -39.7 15.1 39.8 67.4 519 212 B R H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 106.5 55.6 -63.4 -37.2 16.1 36.1 67.2 520 213 B H H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 105.9 51.6 -57.9 -44.2 12.5 35.2 68.3 521 214 B V H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.922 107.6 53.0 -62.6 -43.1 11.1 37.3 65.4 522 215 B M H X S+ 0 0 7 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.915 109.5 47.7 -56.8 -45.4 13.4 35.4 63.0 523 216 B C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.923 109.5 53.0 -65.0 -40.7 12.2 32.1 64.2 524 217 B E H X S+ 0 0 11 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.912 107.7 53.6 -55.8 -41.5 8.5 33.4 63.9 525 218 B D H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.922 110.9 44.1 -57.4 -46.0 9.3 34.3 60.3 526 219 B Y H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.832 110.4 55.2 -70.8 -32.1 10.6 30.8 59.6 527 220 B R H X S+ 0 0 5 -4,-2.4 4,-1.4 -61,-0.3 3,-0.4 0.953 110.3 46.2 -63.9 -48.0 7.6 29.3 61.4 528 221 B A H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 6,-0.6 0.910 108.8 57.5 -54.5 -43.7 5.3 31.3 59.0 529 222 B G H <5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 110.0 43.3 -58.9 -35.3 7.5 30.1 56.2 530 223 B A H <5S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.709 131.5 12.8 -78.4 -25.4 6.8 26.5 57.0 531 224 B Y T >X5S+ 0 0 103 -4,-1.4 4,-2.7 -3,-0.3 3,-0.5 0.558 128.3 23.4-121.8 -91.8 3.1 26.9 57.6 532 225 B A H 3>5S+ 0 0 25 1,-0.2 4,-2.7 -146,-0.2 5,-0.2 0.869 123.0 50.2 -54.7 -42.4 0.9 30.0 56.7 533 226 B D H 3> S+ 0 0 8 -6,-0.6 4,-2.5 -3,-0.5 -1,-0.2 0.916 112.3 48.7 -60.3 -49.1 3.3 27.8 52.3 535 228 B E H X S+ 0 0 87 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 110.0 51.8 -59.3 -42.1 -0.5 27.5 52.5 536 229 B H H X S+ 0 0 31 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.938 113.2 44.8 -60.1 -47.4 -0.8 31.0 51.0 537 230 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0.834 108.9 54.0 -68.6 -30.2 24.3 67.3 32.7 1120 220 D R H X S+ 0 0 1 -4,-2.8 4,-1.5 -61,-0.3 3,-0.3 0.950 109.5 47.5 -65.1 -42.9 23.8 64.1 34.7 1121 221 D A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.7 0.899 108.6 58.1 -58.4 -41.4 22.2 66.1 37.4 1122 222 D G H <5S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 5,-0.2 0.853 109.3 42.8 -58.0 -34.8 20.1 67.7 34.7 1123 223 D A H <5S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.774 131.6 15.0 -81.3 -26.2 18.8 64.3 33.5 1124 224 D Y T X5S+ 0 0 13 -4,-1.5 4,-2.4 -5,-0.1 5,-0.2 0.638 128.6 19.1-119.5 -96.7 18.1 63.0 37.0 1125 225 D A H >5S+ 0 0 6 -762,-0.3 4,-3.0 -146,-0.3 5,-0.2 0.884 123.2 52.6 -56.6 -44.4 18.0 64.9 40.3 1126 226 D D H > S+ 0 0 7 -6,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.907 112.8 48.9 -60.8 -45.2 14.4 67.0 36.7 1128 228 D E H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 107.5 53.2 -66.6 -37.2 13.0 65.3 39.7 1129 229 D H H X S+ 0 0 9 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.924 112.9 46.7 -58.4 -45.5 13.3 68.5 41.9 1130 230 D D H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 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32.2 -91.8 -11.3 3.4 84.2 39.8 1170 270 D D S S+ 0 0 89 -30,-0.4 -26,-2.7 -28,-0.3 2,-0.4 -0.666 84.1 145.8-146.5 72.2 4.9 87.6 38.8 1171 271 D V E -e 1144 0G 23 -3,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.937 24.1-176.6-122.6 140.6 6.7 87.1 35.5 1172 272 D Q E +e 1145 0G 94 -28,-2.0 -26,-2.6 -2,-0.4 2,-0.3 -0.900 15.4 179.5-121.7 164.0 7.3 89.3 32.5 1173 273 D G E -e 1146 0G 23 -2,-0.3 -26,-0.2 -28,-0.2 -12,-0.0 -0.992 14.0-176.8-161.9 160.1 9.1 88.3 29.4 1174 274 D A E -e 1147 0G 40 -28,-1.8 -26,-1.6 -2,-0.3 2,-0.2 -0.946 27.4-115.7-161.0 146.1 10.3 89.3 25.9 1175 275 D P E -e 1148 0G 76 0, 0.0 2,-0.4 0, 0.0 -26,-0.2 -0.565 24.7-152.9 -74.1 146.4 12.1 87.9 22.9 1176 276 D I E -e 1149 0G 8 -28,-3.0 -26,-2.7 -2,-0.2 2,-1.5 -0.958 27.6-112.6-116.7 137.6 15.5 89.3 21.9 1177 277 D E S S+ 0 0 110 -2,-0.4 2,-0.3 -28,-0.2 12,-0.1 -0.592 83.7 92.8 -73.7 88.6 16.7 89.2 18.2 1178 278 D S S S- 0 0 1 -2,-1.5 -27,-2.3 -30,-0.1 -26,-0.2 -0.956 74.8-110.6-164.8 160.5 19.5 86.7 18.9 1179 279 D G S S- 0 0 0 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> S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 116.4 49.9 -70.8 -39.9 19.2 95.0 23.8 1190 290 D T H X S+ 0 0 0 -4,-2.3 4,-2.6 -8,-0.3 -1,-0.2 0.929 111.0 47.8 -61.8 -47.9 20.0 92.5 26.6 1191 291 D A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.912 112.5 50.3 -61.6 -43.8 21.7 95.2 28.9 1192 292 D E H X S+ 0 0 120 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.923 111.2 48.2 -60.0 -49.7 18.7 97.6 28.4 1193 293 D A H X S+ 0 0 9 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.923 115.5 43.9 -58.6 -44.8 16.2 94.9 29.3 1194 294 D L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.946 114.1 49.2 -70.2 -43.0 18.1 93.9 32.4 1195 295 D V H X S+ 0 0 16 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.938 113.7 46.7 -53.6 -53.9 18.8 97.5 33.5 1196 296 D R H X S+ 0 0 147 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.909 116.1 45.5 -60.0 -45.6 15.2 98.5 33.1 1197 297 D F H < S+ 0 0 7 -4,-2.1 3,-0.4 -5,-0.3 -2,-0.2 0.918 116.9 40.3 -64.8 -47.4 14.0 95.4 34.9 1198 298 D F H < S+ 0 0 15 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.774 116.3 52.3 -78.3 -25.1 16.4 95.4 37.9 1199 299 D S H < 0 0 50 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.660 360.0 360.0 -72.4 -19.8 16.0 99.2 38.2 1200 300 D A < 0 0 104 -4,-0.8 -2,-0.1 -3,-0.4 -1,-0.1 0.901 360.0 360.0 -64.7 360.0 12.2 99.2 38.3