==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-JUL-10 2XMZ . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA HYDROLASE FOLD FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.DAWSON,P.K.FYFE,F.GILLET,W.N.HUNTER . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 1 0 0 1 0 0 1 3 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 0 177 0, 0.0 2,-0.9 0, 0.0 54,-0.3 0.000 360.0 360.0 360.0 137.7 -2.4 29.3 23.9 2 2 A T + 0 0 67 1,-0.2 51,-0.2 2,-0.2 52,-0.1 0.132 360.0 100.8 63.2 -17.8 1.2 29.0 25.3 3 3 A H S S+ 0 0 32 -2,-0.9 44,-3.3 43,-0.1 2,-0.3 0.542 81.1 39.6 -83.0 -8.0 1.8 25.7 23.6 4 4 A Y E -A 46 0A 66 42,-0.2 2,-0.4 49,-0.1 42,-0.2 -0.996 63.1-156.7-139.7 150.2 3.9 27.0 20.7 5 5 A K E -A 45 0A 73 40,-2.6 40,-2.2 -2,-0.3 2,-0.5 -0.965 7.1-153.2-124.1 139.9 6.5 29.7 20.2 6 6 A F E -A 44 0A 66 -2,-0.4 2,-0.6 38,-0.2 38,-0.2 -0.962 4.5-164.6-115.8 128.8 7.5 31.5 17.0 7 7 A Y E -A 43 0A 84 36,-3.5 36,-2.5 -2,-0.5 2,-0.1 -0.960 20.5-132.9-115.2 109.9 10.9 32.9 16.5 8 8 A E - 0 0 130 -2,-0.6 34,-0.1 34,-0.2 33,-0.1 -0.410 25.2-112.9 -62.0 131.7 11.2 35.4 13.6 9 9 A A - 0 0 9 2,-0.1 30,-0.2 -2,-0.1 33,-0.1 -0.315 18.1-124.0 -57.8 148.7 14.1 34.8 11.2 10 10 A N S S+ 0 0 109 28,-3.3 2,-0.3 31,-0.2 29,-0.1 0.709 96.7 36.3 -71.2 -17.1 16.8 37.5 11.3 11 11 A V S S- 0 0 74 27,-0.5 2,-0.3 28,-0.0 -2,-0.1 -0.801 103.2 -81.5-127.7 165.9 16.2 37.9 7.6 12 12 A E + 0 0 185 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.532 63.2 151.4 -64.5 132.5 13.2 37.7 5.2 13 13 A T - 0 0 26 -2,-0.3 -4,-0.1 -4,-0.1 28,-0.1 -0.978 51.4-146.8-163.1 150.7 12.4 34.2 4.3 14 14 A N S S+ 0 0 87 -2,-0.3 68,-2.9 67,-0.1 2,-0.5 0.315 73.1 105.0 -95.6 6.8 9.5 31.9 3.4 15 15 A Q E -b 82 0A 27 25,-0.3 27,-2.6 66,-0.2 2,-0.4 -0.764 45.7-177.6 -96.2 126.8 11.1 29.0 5.3 16 16 A V E -bc 83 42A 1 66,-2.4 68,-3.1 -2,-0.5 2,-0.5 -0.994 10.5-158.9-125.1 125.9 9.6 27.9 8.6 17 17 A L E -bc 84 43A 1 25,-3.1 27,-2.7 -2,-0.4 2,-0.6 -0.937 9.3-160.4-107.3 121.4 11.2 25.1 10.6 18 18 A V E -bc 85 44A 0 66,-3.2 68,-3.4 -2,-0.5 2,-0.5 -0.911 5.2-154.8-111.6 117.8 8.8 23.5 13.1 19 19 A F E -bc 86 45A 0 25,-3.2 27,-2.0 -2,-0.6 2,-0.4 -0.829 8.8-170.2-100.6 128.1 10.3 21.5 16.0 20 20 A L E -bc 87 46A 0 66,-2.1 68,-1.7 -2,-0.5 71,-0.1 -0.954 16.0-147.9-111.4 131.9 8.5 18.7 17.9 21 21 A H - 0 0 0 25,-0.7 70,-0.5 -2,-0.4 2,-0.1 -0.187 15.9-104.5 -89.2-177.2 10.2 17.4 21.1 22 22 A G > - 0 0 0 4,-0.2 3,-0.8 68,-0.2 -1,-0.1 -0.419 48.2 -62.1-103.9 178.3 10.2 13.9 22.7 23 23 A F T 3 S+ 0 0 31 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.243 117.3 15.6 -59.5 142.8 8.5 12.2 25.6 24 24 A L T 3 S+ 0 0 1 1,-0.3 2,-0.2 154,-0.1 -1,-0.2 0.840 120.2 71.2 64.1 34.4 9.1 13.6 29.1 25 25 A S < - 0 0 14 -3,-0.8 2,-0.3 151,-0.1 -1,-0.3 -0.803 63.2-154.6-157.3-173.2 10.6 16.8 27.7 26 26 A D > - 0 0 7 -2,-0.2 3,-2.2 -3,-0.1 -4,-0.2 -0.907 48.8 -58.1-159.7-166.8 9.4 19.9 25.9 27 27 A S G > S+ 0 0 9 1,-0.3 3,-2.1 -2,-0.3 4,-0.2 0.673 113.5 80.2 -59.9 -21.7 10.4 22.6 23.5 28 28 A R G > S+ 0 0 92 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.732 75.6 75.6 -58.2 -24.4 13.2 23.7 25.8 29 29 A T G < S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.716 95.4 49.7 -56.9 -22.6 15.3 20.8 24.4 30 30 A Y G X> S+ 0 0 0 -3,-2.1 3,-2.4 -4,-0.2 4,-1.5 0.413 79.6 111.5 -97.8 3.1 15.8 23.0 21.3 31 31 A H T <4 S+ 0 0 88 -3,-1.7 4,-0.5 1,-0.3 3,-0.4 0.827 78.2 42.4 -42.7 -55.5 16.9 26.0 23.3 32 32 A N T 34 S+ 0 0 56 -4,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.421 115.0 54.2 -79.1 1.8 20.5 26.1 22.2 33 33 A H T X> S+ 0 0 0 -3,-2.4 4,-1.0 2,-0.1 3,-0.9 0.704 83.5 80.9-103.2 -31.6 19.6 25.4 18.6 34 34 A I H >X S+ 0 0 13 -4,-1.5 4,-2.6 -3,-0.4 3,-1.2 0.876 92.7 49.2 -48.3 -51.6 17.0 28.1 17.8 35 35 A E H 3> S+ 0 0 151 -4,-0.5 4,-0.8 1,-0.3 -1,-0.3 0.792 102.6 62.1 -62.8 -30.0 19.6 30.8 17.1 36 36 A K H <4 S+ 0 0 83 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.802 115.5 33.5 -65.8 -26.4 21.5 28.5 14.8 37 37 A F H XX S+ 0 0 0 -3,-1.2 4,-2.4 -4,-1.0 3,-2.0 0.824 103.7 68.2 -98.6 -34.2 18.4 28.4 12.6 38 38 A T H 3< S+ 0 0 10 -4,-2.6 -28,-3.3 1,-0.3 -27,-0.5 0.696 83.2 79.0 -63.0 -17.9 16.8 31.9 13.0 39 39 A D T 3< S- 0 0 86 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.1 0.864 124.0 -1.3 -49.0 -39.0 19.8 33.2 11.0 40 40 A N T <4 S+ 0 0 90 -3,-2.0 2,-0.4 1,-0.2 -25,-0.3 0.409 128.8 57.5-133.8 -8.4 18.1 32.0 7.9 41 41 A Y S < S- 0 0 24 -4,-2.4 2,-0.2 -33,-0.1 -25,-0.2 -0.984 72.1-121.1-136.4 139.6 14.8 30.3 9.0 42 42 A H E - c 0 16A 9 -27,-2.6 -25,-3.1 -2,-0.4 2,-0.4 -0.587 38.9-151.0 -66.5 141.6 11.6 31.2 10.9 43 43 A V E -Ac 7 17A 0 -36,-2.5 -36,-3.5 -2,-0.2 2,-0.4 -0.982 18.0-176.1-126.2 133.7 11.4 28.7 13.8 44 44 A I E -Ac 6 18A 0 -27,-2.7 -25,-3.2 -2,-0.4 2,-0.4 -0.978 5.3-166.2-120.6 136.9 8.4 27.3 15.6 45 45 A T E -Ac 5 19A 1 -40,-2.2 -40,-2.6 -2,-0.4 2,-0.4 -0.970 7.7-163.8-117.2 143.4 8.5 25.1 18.6 46 46 A I E -Ac 4 20A 0 -27,-2.0 -25,-0.7 -2,-0.4 2,-0.5 -0.996 14.3-142.4-129.5 128.1 5.4 23.2 19.7 47 47 A D - 0 0 4 -44,-3.3 3,-0.1 -2,-0.4 -21,-0.1 -0.803 28.1-134.8 -82.8 124.4 4.8 21.6 23.1 48 48 A L > - 0 0 0 -2,-0.5 3,-2.7 1,-0.2 6,-0.3 -0.318 44.0 -58.7 -81.1 163.4 2.8 18.4 22.5 49 49 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.125 125.1 6.9 -48.8 131.1 -0.2 17.4 24.6 50 50 A G T 3 S+ 0 0 2 1,-0.2 128,-0.5 -3,-0.1 2,-0.4 0.227 108.1 110.5 82.9 -12.8 0.7 17.0 28.3 51 51 A H S X S- 0 0 0 -3,-2.7 3,-2.4 126,-0.1 -1,-0.2 -0.784 81.2 -40.8-105.9 143.6 4.2 18.4 27.8 52 52 A G T 3 S- 0 0 34 -2,-0.4 126,-0.1 1,-0.3 -49,-0.1 -0.258 126.8 -5.1 51.4-120.5 5.9 21.6 28.9 53 53 A E T 3 S+ 0 0 96 -51,-0.2 -1,-0.3 -50,-0.1 -49,-0.1 0.333 96.7 132.5 -92.0 8.4 3.5 24.6 28.5 54 54 A D < - 0 0 4 -3,-2.4 -52,-0.1 -6,-0.3 -6,-0.1 -0.276 36.5-170.0 -58.9 141.6 0.8 22.6 26.8 55 55 A Q + 0 0 133 -54,-0.3 -1,-0.1 2,-0.0 3,-0.1 -0.064 25.3 153.0-126.6 32.7 -2.7 23.1 28.1 56 56 A S - 0 0 13 1,-0.1 2,-0.1 -8,-0.1 -6,-0.1 -0.370 55.8 -97.5 -55.1 136.1 -4.7 20.3 26.3 57 57 A S > - 0 0 50 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 -0.406 17.9-140.4 -63.4 132.8 -7.7 19.3 28.4 58 58 A M T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -2,-0.1 4,-0.1 0.619 102.3 63.2 -60.6 -14.4 -7.2 16.3 30.6 59 59 A D T 3 S+ 0 0 152 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.233 90.4 76.1-105.5 13.2 -10.8 15.4 29.5 60 60 A E S < S- 0 0 101 -3,-1.7 2,-0.6 3,-0.0 -4,-0.0 -0.929 88.3-109.2-116.3 149.8 -10.0 15.0 25.8 61 61 A T - 0 0 82 -2,-0.4 2,-1.5 1,-0.1 5,-0.2 -0.642 20.7-149.0 -77.5 121.0 -8.3 12.0 24.3 62 62 A W + 0 0 0 -2,-0.6 -1,-0.1 122,-0.1 126,-0.0 -0.269 44.6 146.5 -86.7 53.1 -4.8 13.0 23.1 63 63 A N > - 0 0 68 -2,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.149 66.8 -89.6 -79.2 179.4 -4.8 10.6 20.2 64 64 A F H > S+ 0 0 9 124,-0.3 4,-2.6 1,-0.2 5,-0.1 0.831 126.3 53.2 -62.9 -30.4 -3.1 11.2 16.8 65 65 A D H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 109.3 49.9 -73.2 -39.0 -6.1 12.8 15.2 66 66 A Y H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.926 112.9 46.3 -55.8 -50.2 -6.4 15.2 18.2 67 67 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.898 110.0 54.4 -63.7 -39.5 -2.7 16.1 17.8 68 68 A T H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 35,-0.3 0.918 109.5 47.3 -58.5 -45.6 -3.1 16.4 14.0 69 69 A T H X S+ 0 0 43 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 109.9 53.5 -60.5 -46.0 -5.9 19.0 14.6 70 70 A L H X S+ 0 0 15 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.928 114.1 41.4 -50.0 -50.7 -3.7 20.7 17.1 71 71 A L H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.884 108.8 58.8 -70.3 -40.4 -1.0 21.0 14.5 72 72 A D H X S+ 0 0 23 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.914 105.6 52.4 -49.8 -44.3 -3.4 21.9 11.7 73 73 A R H < S+ 0 0 179 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.845 114.3 40.0 -67.1 -36.7 -4.4 24.9 13.7 74 74 A I H >< S+ 0 0 3 -4,-1.2 3,-1.4 -3,-0.2 -2,-0.2 0.963 117.7 47.1 -73.9 -53.0 -0.9 26.1 14.2 75 75 A L H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.728 94.9 74.5 -64.7 -26.8 0.4 25.4 10.7 76 76 A D G >< S+ 0 0 71 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.829 89.8 60.1 -54.8 -33.5 -2.6 27.0 9.0 77 77 A K G < S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.618 116.4 33.0 -71.2 -11.5 -1.2 30.4 9.9 78 78 A Y G X S+ 0 0 39 -3,-2.2 3,-2.1 -4,-0.2 -1,-0.2 0.143 78.3 122.6-130.4 18.9 1.9 29.5 7.9 79 79 A K T < S+ 0 0 97 -3,-1.0 4,-0.2 1,-0.3 -2,-0.1 0.741 74.5 55.3 -54.8 -27.8 0.4 27.3 5.1 80 80 A D T 3 S+ 0 0 140 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.555 97.5 81.4 -88.4 -5.3 1.8 29.6 2.4 81 81 A K S < S- 0 0 56 -3,-2.1 2,-1.0 1,-0.0 -66,-0.2 -0.476 97.0-100.1 -86.2 163.5 5.3 29.2 3.8 82 82 A S E -b 15 0A 37 -68,-2.9 -66,-2.4 -2,-0.2 2,-0.6 -0.779 46.0-155.5 -85.5 103.9 7.6 26.2 3.1 83 83 A I E -b 16 0A 0 -2,-1.0 24,-3.4 22,-0.3 25,-1.8 -0.731 13.5-166.1 -88.2 121.9 7.1 24.2 6.3 84 84 A T E -bd 17 108A 2 -68,-3.1 -66,-3.2 -2,-0.6 2,-0.6 -0.936 13.0-154.6-100.3 119.6 9.8 21.8 7.4 85 85 A L E -bd 18 109A 0 23,-2.4 25,-3.0 -2,-0.6 2,-0.5 -0.852 11.5-171.9 -98.7 121.2 8.4 19.6 10.1 86 86 A F E +bd 19 110A 0 -68,-3.4 -66,-2.1 -2,-0.6 2,-0.4 -0.929 4.8 179.1-112.5 132.3 11.0 18.2 12.5 87 87 A G E -bd 20 111A 0 23,-2.7 25,-2.6 -2,-0.5 2,-0.5 -0.994 13.6-156.9-135.7 133.8 10.2 15.5 15.0 88 88 A Y E > - d 0 112A 18 -68,-1.7 3,-2.1 -2,-0.4 25,-0.2 -0.932 61.6 -52.0-105.0 126.0 12.5 13.8 17.6 89 89 A S T >> S+ 0 0 26 23,-3.0 4,-1.5 -2,-0.5 3,-1.2 -0.250 138.6 15.3 54.2-117.6 11.5 10.4 19.0 90 90 A M H 3> S+ 0 0 6 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.884 133.2 50.9 -49.6 -46.3 7.9 10.8 20.3 91 91 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 -70,-0.5 -1,-0.3 0.737 104.7 57.4 -63.6 -25.4 7.7 14.0 18.3 92 92 A G H <> S+ 0 0 0 -3,-1.2 4,-2.5 20,-0.2 -1,-0.2 0.783 102.4 54.6 -73.1 -28.7 8.9 12.2 15.2 93 93 A R H X S+ 0 0 17 -4,-1.5 4,-2.3 -3,-0.4 -2,-0.2 0.912 111.1 45.2 -68.9 -42.1 6.0 9.8 15.5 94 94 A V H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.912 112.3 51.8 -62.3 -42.3 3.7 12.8 15.5 95 95 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.900 110.4 47.8 -67.5 -38.0 5.7 14.2 12.5 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.950 113.0 48.4 -64.6 -44.6 5.3 11.0 10.5 97 97 A Y H X S+ 0 0 35 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.916 114.0 47.7 -59.7 -41.4 1.6 10.8 11.3 98 98 A Y H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.886 106.1 55.7 -70.2 -39.7 1.3 14.4 10.3 99 99 A A H < S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 119.5 35.0 -57.7 -33.0 3.2 14.0 7.1 100 100 A I H < S+ 0 0 24 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.810 136.4 17.5 -89.5 -36.8 0.8 11.3 6.1 101 101 A N H < S+ 0 0 51 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.506 89.4 120.7-120.9 -9.8 -2.5 12.5 7.6 102 102 A G < - 0 0 24 -4,-2.7 4,-0.1 -5,-0.4 -33,-0.1 -0.143 55.3-141.0 -64.5 157.3 -2.0 16.3 8.3 103 103 A H S S+ 0 0 125 -35,-0.3 -1,-0.1 1,-0.1 -34,-0.0 0.618 86.3 65.7-101.2 -12.2 -4.2 18.9 6.7 104 104 A I S S- 0 0 16 -6,-0.1 2,-0.1 -26,-0.0 -1,-0.1 -0.948 90.7-123.5-105.8 120.2 -1.6 21.5 6.0 105 105 A P - 0 0 113 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.424 23.5-144.2 -64.9 132.7 0.9 20.2 3.4 106 106 A I - 0 0 16 -2,-0.1 -22,-0.2 -7,-0.1 3,-0.1 -0.572 7.1-146.9 -90.4 159.5 4.5 20.3 4.6 107 107 A S S S+ 0 0 42 -24,-3.4 2,-0.3 1,-0.3 -23,-0.2 0.849 78.4 4.6 -91.6 -42.7 7.5 21.1 2.4 108 108 A N E -d 84 0A 7 -25,-1.8 -23,-2.4 98,-0.2 2,-0.4 -0.938 64.2-141.2-141.2 161.3 10.1 18.9 4.0 109 109 A L E -de 85 208A 0 98,-2.6 100,-2.7 -2,-0.3 2,-0.4 -0.980 10.3-170.9-130.1 134.8 10.3 16.3 6.8 110 110 A I E -de 86 209A 0 -25,-3.0 -23,-2.7 -2,-0.4 2,-0.5 -0.991 4.5-173.2-129.6 130.5 13.0 15.7 9.4 111 111 A L E -de 87 210A 1 98,-2.6 100,-3.2 -2,-0.4 2,-0.5 -0.977 3.5-169.8-126.0 124.6 13.0 12.7 11.7 112 112 A E E S-de 88 211A 0 -25,-2.6 -23,-3.0 -2,-0.5 -20,-0.2 -0.961 71.2 -29.3-118.8 118.9 15.4 12.2 14.6 113 113 A S S S+ 0 0 2 98,-2.9 2,-0.2 -2,-0.5 -1,-0.2 0.893 103.0 127.0 47.6 56.5 15.6 8.8 16.3 114 114 A T - 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0 0 3 -3,-1.1 -26,-2.4 1,-0.1 -25,-0.6 -0.937 48.6-153.4-125.7 155.0 25.8 9.4 19.7 242 242 A G - 0 0 2 -2,-0.3 3,-0.3 -27,-0.2 -26,-0.2 0.204 57.2 -45.3 -96.4-138.1 22.8 7.6 21.1 243 243 A H S S+ 0 0 1 -88,-0.7 2,-1.6 1,-0.2 3,-0.2 0.919 126.5 54.1 -68.4 -48.6 19.1 8.4 20.9 244 244 A T >> + 0 0 8 1,-0.2 4,-1.6 2,-0.1 3,-1.5 -0.539 63.1 163.9 -92.7 72.8 19.1 12.2 21.7 245 245 A I H 3> + 0 0 0 -2,-1.6 4,-2.7 -3,-0.3 8,-0.2 0.887 67.7 64.4 -55.2 -45.0 21.5 13.3 19.0 246 246 A H H 34 S+ 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 8,-0.1 0.667 112.6 36.8 -61.0 -14.4 20.5 17.0 19.1 247 247 A V H <4 S+ 0 0 25 -3,-1.5 3,-0.4 2,-0.1 -1,-0.3 0.732 117.4 47.7-101.6 -31.9 21.9 17.0 22.7 248 248 A E H < S+ 0 0 36 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.843 133.7 12.5 -85.8 -35.8 24.9 14.7 22.4 249 249 A D S X S+ 0 0 61 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.3 -0.621 73.4 167.1-137.1 77.7 26.4 16.3 19.3 250 250 A S H > S+ 0 0 22 -3,-0.4 4,-2.8 1,-0.2 5,-0.1 0.839 74.7 51.6 -60.8 -38.7 24.4 19.6 18.8 251 251 A D H > S+ 0 0 107 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.943 112.1 43.0 -69.2 -49.0 26.8 21.0 16.2 252 252 A E H > S+ 0 0 77 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 114.8 52.8 -59.1 -46.7 26.8 18.0 13.9 253 253 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 -8,-0.2 -2,-0.2 0.940 112.5 44.7 -50.9 -52.0 23.0 17.8 14.4 254 254 A D H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.909 112.2 51.5 -59.7 -45.8 22.8 21.5 13.5 255 255 A T H X S+ 0 0 79 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.902 109.1 50.8 -58.9 -45.3 25.1 21.1 10.5 256 256 A M H X S+ 0 0 35 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.891 113.1 45.4 -60.6 -40.6 23.1 18.2 9.1 257 257 A I H X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.2 5,-0.2 0.957 113.4 47.8 -69.7 -50.4 19.8 20.1 9.4 258 258 A L H X S+ 0 0 53 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.874 112.5 50.1 -57.3 -40.7 21.2 23.3 7.8 259 259 A G H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.867 112.7 45.8 -68.6 -40.5 22.8 21.4 4.9 260 260 A F H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.973 115.0 47.2 -62.2 -56.4 19.5 19.5 4.2 261 261 A L H X S+ 0 0 2 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.856 111.6 52.6 -51.7 -40.2 17.6 22.8 4.4 262 262 A K H >< S+ 0 0 147 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.949 110.2 47.6 -59.0 -51.3 20.2 24.3 2.2 263 263 A E H 3< S+ 0 0 115 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.790 114.1 46.5 -61.6 -32.7 19.8 21.5 -0.4 264 264 A E H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.400 71.0 113.0 -98.6 3.3 16.0 21.7 -0.4 265 265 A Q << 0 0 119 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.762 360.0 360.0 -40.7 -29.0 15.8 25.6 -0.7 266 266 A N 0 0 178 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.805 360.0 360.0 -91.9 360.0 14.3 24.7 -4.1