==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-08 3ESH . COMPND 2 MOLECULE: PROTEIN SIMILAR TO METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, . 827 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 3 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 . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 7 2 6 1 2 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 4 3 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 PARALLEL BRIDGES PER LADDER . 4 9 2 5 11 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 . 2 1 0 0 0 6 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 X 0 0 49 0, 0.0 7,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.9 39.4 54.9 39.9 2 2 A K E -A 7 0A 166 5,-0.2 2,-0.6 7,-0.0 5,-0.2 -0.977 360.0-177.5-136.8 123.7 40.2 57.9 37.8 3 3 A I E > -A 6 0A 0 3,-3.1 3,-2.8 -2,-0.4 194,-0.1 -0.942 69.9 -63.3-115.4 102.4 38.3 59.2 34.7 4 4 A G T 3 S- 0 0 18 -2,-0.6 193,-0.1 1,-0.3 196,-0.0 -0.331 119.8 -14.6 56.4-125.5 40.2 62.2 33.5 5 5 A D T 3 S+ 0 0 115 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.551 121.0 97.6 -84.3 -7.8 40.1 64.8 36.3 6 6 A I E < -A 3 0A 6 -3,-2.8 -3,-3.1 49,-0.1 2,-0.5 -0.672 62.3-151.0 -89.3 133.6 37.3 62.9 38.0 7 7 A S E -AB 2 54A 37 47,-2.5 47,-2.8 -2,-0.4 2,-0.4 -0.861 13.4-166.1-101.7 131.9 37.9 60.5 40.8 8 8 A I E + B 0 53A 0 -7,-2.4 2,-0.3 -2,-0.5 45,-0.2 -0.971 15.5 155.8-123.4 132.1 35.5 57.6 41.2 9 9 A H E - B 0 52A 43 43,-2.5 43,-2.4 -2,-0.4 2,-0.3 -0.924 32.2-120.4-144.5 168.6 35.1 55.3 44.3 10 10 A Y E - B 0 51A 44 -2,-0.3 2,-0.4 41,-0.3 41,-0.2 -0.827 17.2-149.8-114.1 153.9 32.5 53.0 45.9 11 11 A L - 0 0 0 39,-2.6 2,-1.5 -2,-0.3 76,-0.1 -0.981 23.3-118.0-126.2 135.7 31.0 53.2 49.4 12 12 A N + 0 0 9 -2,-0.4 74,-3.3 74,-0.3 37,-0.2 -0.532 41.8 162.4 -73.0 90.4 29.9 50.3 51.6 13 13 A G - 0 0 0 -2,-1.5 53,-2.3 35,-0.6 72,-0.4 0.213 57.9 -96.3 -94.4 15.0 26.2 51.1 52.0 14 14 A G - 0 0 0 70,-0.3 34,-2.6 51,-0.2 -1,-0.3 -0.692 41.4-100.1 108.6-161.3 25.4 47.6 53.1 15 15 A N E -G 47 0B 7 68,-0.8 2,-0.3 32,-0.3 68,-0.1 -0.981 16.9-154.5-159.3 166.2 24.1 44.6 51.2 16 16 A T E -G 46 0B 1 30,-2.0 30,-3.1 -2,-0.3 2,-0.6 -0.983 14.5-138.4-145.8 150.7 21.0 42.5 50.4 17 17 A K E -G 45 0B 39 62,-2.8 2,-0.3 -2,-0.3 28,-0.2 -0.956 28.3-177.8-115.8 111.2 20.4 38.9 49.4 18 18 A X E -G 44 0B 21 26,-1.5 26,-2.9 -2,-0.6 2,-0.1 -0.817 37.9 -89.5-109.2 150.6 17.7 38.6 46.7 19 19 A D E > -G 43 0B 8 -2,-0.3 4,-1.5 24,-0.3 3,-0.5 -0.343 31.4-141.3 -58.0 125.9 16.3 35.4 45.1 20 20 A G H > S+ 0 0 0 22,-4.3 4,-1.2 1,-0.2 3,-0.2 0.902 98.7 58.4 -57.6 -43.6 18.4 34.5 42.1 21 21 A G H > S+ 0 0 1 21,-0.4 4,-0.7 1,-0.3 3,-0.3 0.866 108.4 46.4 -55.7 -36.7 15.4 33.4 40.0 22 22 A A H 4 S+ 0 0 0 -3,-0.5 199,-3.6 1,-0.2 200,-0.7 0.808 110.4 52.9 -76.0 -30.2 13.9 36.9 40.4 23 23 A X H < S+ 0 0 10 -4,-1.5 -1,-0.2 197,-0.2 -2,-0.2 0.592 119.0 35.0 -80.4 -10.6 17.2 38.6 39.5 24 24 A F H >< S- 0 0 0 -4,-1.2 3,-2.4 -3,-0.3 195,-0.2 0.358 83.9-172.0-124.5 3.3 17.6 36.6 36.3 25 25 A G T 3< S+ 0 0 3 -4,-0.7 -1,-0.2 1,-0.3 750,-0.2 -0.133 72.7 10.5 46.7-115.4 14.0 36.2 35.2 26 26 A V T 3 S+ 0 0 35 193,-0.3 -1,-0.3 749,-0.3 547,-0.2 0.650 99.6 107.5 -70.2 -17.9 13.7 33.9 32.2 27 27 A V S < S- 0 0 5 -3,-2.4 -3,-0.1 192,-0.2 548,-0.1 -0.499 76.5-121.2 -67.4 118.7 17.3 32.6 32.4 28 28 A P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.231 20.0-117.4 -57.1 147.8 17.2 29.0 33.8 29 29 A K H 3> S+ 0 0 45 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.875 110.7 64.8 -55.8 -43.7 19.1 28.5 37.0 30 30 A P H 34 S+ 0 0 32 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.848 111.0 39.4 -49.0 -36.9 21.6 26.0 35.5 31 31 A L H X4 S+ 0 0 90 -3,-0.9 3,-0.6 2,-0.1 4,-0.4 0.926 120.7 39.5 -81.6 -49.7 22.8 28.8 33.3 32 32 A W H >X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-1.4 0.837 105.9 64.8 -72.8 -28.9 22.7 31.8 35.7 33 33 A S T 3< S+ 0 0 46 -4,-3.6 -1,-0.2 1,-0.3 5,-0.2 0.773 101.1 53.4 -63.4 -22.8 24.0 29.8 38.7 34 34 A K T <4 S+ 0 0 163 -3,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.617 112.9 43.2 -84.2 -14.4 27.3 29.4 36.7 35 35 A Q T <4 S+ 0 0 117 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.660 127.1 19.3-102.3 -22.1 27.5 33.1 36.2 36 36 A Y S < S- 0 0 2 -4,-2.0 -1,-0.3 176,-0.1 2,-0.2 -0.990 84.1-112.5-148.8 140.8 26.6 34.3 39.8 37 37 A N - 0 0 116 -2,-0.3 8,-0.5 -3,-0.1 2,-0.3 -0.538 29.3-173.5 -82.9 140.6 26.7 32.3 43.1 38 38 A A B -H 44 0B 39 -2,-0.2 6,-0.2 -5,-0.2 2,-0.1 -0.862 13.9-133.6-124.7 159.1 23.5 31.4 45.0 39 39 A N > - 0 0 51 4,-2.0 3,-2.2 -2,-0.3 -1,-0.0 -0.293 44.4 -76.0-101.6-170.5 23.1 29.8 48.4 40 40 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.675 132.2 52.9 -59.6 -18.3 20.9 27.0 49.8 41 41 A R T 3 S- 0 0 148 2,-0.2 -1,-0.3 542,-0.0 542,-0.2 0.188 117.0-110.4-105.3 16.7 18.0 29.5 49.7 42 42 A N S < S+ 0 0 3 -3,-2.2 -22,-4.3 1,-0.2 -21,-0.4 0.621 75.4 137.6 66.2 13.5 18.4 30.5 46.0 43 43 A Q E -G 19 0B 34 -24,-0.3 -4,-2.0 -23,-0.1 2,-0.3 -0.740 40.7-156.1 -93.4 139.1 19.5 33.9 47.2 44 44 A I E -GH 18 38B 0 -26,-2.9 -26,-1.5 -2,-0.4 2,-0.5 -0.858 26.6-107.5-111.0 150.1 22.5 35.7 45.5 45 45 A N E -G 17 0B 42 -8,-0.5 208,-0.4 -2,-0.3 -28,-0.2 -0.668 35.0-177.2 -84.0 122.3 24.5 38.3 47.4 46 46 A L E -G 16 0B 2 -30,-3.1 -30,-2.0 -2,-0.5 206,-0.2 -0.883 14.4-149.2-123.0 101.6 24.0 41.9 46.2 47 47 A P E -G 15 0B 5 0, 0.0 2,-0.5 0, 0.0 -32,-0.3 -0.281 6.3-147.0 -62.0 152.4 26.0 44.7 47.7 48 48 A T + 0 0 0 -34,-2.6 -35,-0.6 16,-0.1 18,-0.3 -0.770 35.3 162.8-120.4 79.0 24.3 48.1 47.9 49 49 A H - 0 0 5 201,-1.8 -37,-0.2 -2,-0.5 15,-0.0 -0.853 30.1-140.8-106.9 103.0 27.4 50.2 47.4 50 50 A P - 0 0 0 0, 0.0 -39,-2.6 0, 0.0 2,-0.7 -0.144 19.7-118.5 -57.8 157.0 26.9 53.9 46.4 51 51 A I E -B 10 0A 0 -41,-0.2 11,-1.0 197,-0.0 2,-0.5 -0.878 19.8-149.9-104.8 113.7 29.3 55.4 43.9 52 52 A L E -BC 9 61A 0 -43,-2.4 -43,-2.5 -2,-0.7 2,-0.5 -0.700 14.3-171.2 -83.4 122.8 31.3 58.4 45.1 53 53 A I E -BC 8 60A 0 7,-3.6 7,-2.5 -2,-0.5 2,-0.5 -0.969 2.8-173.1-118.4 121.7 32.1 60.9 42.4 54 54 A Q E +BC 7 59A 39 -47,-2.8 -47,-2.5 -2,-0.5 5,-0.2 -0.950 4.0 178.9-119.4 117.1 34.5 63.7 43.0 55 55 A T - 0 0 25 3,-3.2 -49,-0.1 -2,-0.5 121,-0.0 -0.505 52.2 -89.9-100.4 176.4 35.1 66.5 40.4 56 56 A A S S+ 0 0 103 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.901 125.5 18.9 -54.3 -39.6 37.5 69.4 41.0 57 57 A Q S S+ 0 0 149 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.866 121.0 48.8-100.3 -43.9 34.5 71.3 42.4 58 58 A Y - 0 0 83 44,-0.0 -3,-3.2 43,-0.0 2,-0.4 -0.721 52.8-155.1-111.1 155.3 31.8 69.0 43.5 59 59 A N E +C 54 0A 27 41,-0.3 43,-2.6 -2,-0.3 44,-1.5 -0.963 27.1 166.9-118.5 135.0 31.3 65.7 45.4 60 60 A L E -Cd 53 103A 0 -7,-2.5 -7,-3.6 -2,-0.4 2,-0.3 -0.986 25.6-142.9-150.6 159.8 28.3 63.4 44.7 61 61 A I E -Cd 52 104A 0 42,-2.3 44,-2.7 -2,-0.3 -9,-0.2 -0.916 10.4-146.6-122.0 149.7 26.9 60.0 45.2 62 62 A I S S- 0 0 2 -11,-1.0 45,-0.6 -2,-0.3 2,-0.3 0.717 79.5 -14.4 -89.4 -23.0 24.9 57.7 42.9 63 63 A D - 0 0 0 43,-0.2 51,-0.1 -12,-0.1 42,-0.1 -0.880 61.2-120.4-158.0-169.2 22.7 56.1 45.4 64 64 A A > - 0 0 0 49,-2.3 3,-0.7 -2,-0.3 50,-0.1 0.322 34.1-137.8-132.3 12.5 22.4 55.7 49.2 65 65 A G T 3 - 0 0 0 48,-0.2 51,-2.2 1,-0.2 -1,-0.2 -0.118 51.9 -52.8 63.2-164.6 22.5 52.0 50.2 66 66 A I T 3 S- 0 0 2 -53,-2.3 5,-0.4 -18,-0.3 4,-0.3 0.364 75.9-148.6 -93.0 2.5 20.2 50.5 52.9 67 67 A G < - 0 0 3 -3,-0.7 18,-1.9 -54,-0.4 2,-0.4 -0.054 24.9 -62.1 65.4-163.6 21.1 53.0 55.6 68 68 A N S S- 0 0 65 50,-0.3 52,-0.3 47,-0.2 -1,-0.1 -0.984 109.4 -8.0-130.7 120.1 21.2 52.6 59.4 69 69 A G S S+ 0 0 39 -2,-0.4 -2,-0.1 50,-0.1 -1,-0.1 0.521 102.4 108.6 73.8 5.0 18.2 51.7 61.5 70 70 A K + 0 0 10 -4,-0.3 2,-0.2 50,-0.1 -3,-0.1 0.916 62.7 63.2 -79.4 -48.2 15.9 52.1 58.5 71 71 A L S S- 0 0 8 -5,-0.4 -2,-0.1 1,-0.1 -5,-0.0 -0.555 86.9-123.9 -77.9 143.7 15.0 48.4 57.7 72 72 A S > - 0 0 47 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.111 28.3 -99.6 -75.9-176.7 13.1 46.6 60.5 73 73 A E H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.874 125.8 50.0 -72.7 -37.2 14.3 43.4 62.1 74 74 A K H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.858 112.8 46.3 -69.5 -36.3 11.9 41.5 59.9 75 75 A Q H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.878 107.2 56.8 -75.1 -36.8 13.1 43.2 56.7 76 76 A L H <>S+ 0 0 28 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.940 114.7 39.7 -59.2 -44.3 16.8 42.8 57.7 77 77 A R H ><5S+ 0 0 168 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.954 115.5 49.1 -69.2 -50.9 16.2 39.0 57.9 78 78 A N H 3<5S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 115.7 46.0 -59.7 -27.6 13.9 38.7 54.8 79 79 A F T 3<5S- 0 0 41 -4,-2.2 -62,-2.8 -5,-0.1 -1,-0.3 0.235 108.4-122.0-102.1 13.2 16.4 40.7 52.8 80 80 A G T < 5 + 0 0 9 -3,-1.7 2,-0.5 -64,-0.3 -3,-0.2 0.823 42.0 177.1 51.6 41.7 19.5 38.9 53.8 81 81 A V < + 0 0 23 -5,-2.3 -1,-0.2 -6,-0.2 -65,-0.1 -0.643 13.3 177.9 -77.6 120.8 21.3 42.0 55.2 82 82 A D S S+ 0 0 108 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.890 73.4 4.7 -86.4 -46.1 24.6 40.9 56.7 83 83 A E S S- 0 0 55 -68,-0.1 -68,-0.8 0, 0.0 -1,-0.4 -0.969 74.5-129.5-137.3 149.2 25.8 44.4 57.7 84 84 A E - 0 0 67 -2,-0.3 -70,-0.3 1,-0.2 -16,-0.2 -0.272 55.7 -48.8 -87.3-177.2 24.0 47.7 57.4 85 85 A S - 0 0 5 -18,-1.9 -72,-0.3 -72,-0.4 -1,-0.2 -0.136 36.7-176.8 -58.4 144.8 25.5 50.8 55.8 86 86 A H > + 0 0 89 -74,-3.3 4,-2.6 -3,-0.1 -74,-0.3 -0.179 42.4 130.5-127.8 30.2 29.1 52.1 56.7 87 87 A I H > + 0 0 4 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.798 68.2 51.6 -61.0 -31.0 28.6 55.1 54.4 88 88 A I H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.980 114.4 40.3 -70.5 -55.4 29.9 57.5 57.1 89 89 A A H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.880 115.3 52.9 -59.8 -40.2 33.1 55.7 58.0 90 90 A D H < S+ 0 0 31 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.915 107.8 51.3 -62.7 -41.9 33.7 54.9 54.3 91 91 A L H ><>S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 5,-1.3 0.871 103.0 59.4 -62.3 -37.4 33.3 58.6 53.4 92 92 A A H ><5S+ 0 0 56 -4,-1.8 3,-4.1 1,-0.3 -1,-0.2 0.894 89.8 70.3 -58.2 -41.2 35.8 59.6 56.1 93 93 A N T 3<5S+ 0 0 120 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.654 105.2 42.9 -51.1 -15.6 38.5 57.4 54.3 94 94 A Y T < 5S- 0 0 77 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.140 123.9-104.6-116.3 16.1 38.3 60.2 51.7 95 95 A N T < 5S+ 0 0 157 -3,-4.1 2,-0.3 1,-0.2 -3,-0.2 0.899 81.2 126.8 61.3 43.6 38.3 63.1 54.2 96 96 A L < - 0 0 16 -5,-1.3 -1,-0.2 -8,-0.2 -2,-0.2 -0.929 44.6-155.8-131.4 154.7 34.6 63.7 53.6 97 97 A T > - 0 0 73 -2,-0.3 2,-5.1 -3,-0.1 3,-3.4 -0.931 42.1 -97.7-128.1 149.9 31.5 64.0 55.9 98 98 A P T 3 S+ 0 0 20 0, 0.0 29,-0.7 0, 0.0 28,-0.6 -0.197 124.2 56.1 -62.5 57.3 27.8 63.4 55.0 99 99 A K T 3 S+ 0 0 104 -2,-5.1 -3,-0.0 27,-0.2 26,-0.0 0.256 88.5 67.8-164.3 -14.2 27.7 67.1 54.6 100 100 A D S < S+ 0 0 75 -3,-3.4 2,-0.5 -42,-0.0 -41,-0.3 0.365 76.8 110.0 -96.3 1.2 30.4 67.7 52.0 101 101 A I - 0 0 1 -4,-0.4 -41,-0.2 1,-0.2 27,-0.2 -0.680 44.6-178.0 -82.7 126.8 28.1 66.0 49.5 102 102 A D + 0 0 54 -43,-2.6 28,-3.4 -2,-0.5 2,-0.4 0.822 65.1 24.0 -93.4 -40.1 26.7 68.3 46.9 103 103 A Y E -de 60 130A 37 -44,-1.5 -42,-2.3 26,-0.3 2,-0.6 -0.991 49.8-166.4-135.6 138.5 24.5 66.0 44.8 104 104 A V E -de 61 131A 0 26,-2.5 28,-2.3 -2,-0.4 2,-0.5 -0.973 20.0-166.3-118.2 107.5 22.8 62.7 45.4 105 105 A L E - e 0 132A 0 -44,-2.7 2,-0.4 -2,-0.6 28,-0.1 -0.878 6.0-152.8 -98.4 127.4 21.8 61.4 42.0 106 106 A X - 0 0 1 26,-2.3 28,-0.3 -2,-0.5 -43,-0.2 -0.859 19.7-165.5-106.8 131.5 19.3 58.5 42.0 107 107 A T S S- 0 0 1 -45,-0.6 83,-2.6 -2,-0.4 2,-0.3 0.863 82.9 -27.7 -75.2 -36.2 19.0 55.8 39.3 108 108 A H - 0 0 0 81,-0.2 -1,-0.4 2,-0.1 81,-0.0 -0.953 60.2-110.8-169.6 165.3 15.7 54.9 40.9 109 109 A X + 0 0 1 -2,-0.3 5,-0.1 -3,-0.1 -46,-0.0 0.136 59.6 136.0 -97.4 20.0 13.9 55.0 44.3 110 110 A H >> - 0 0 11 1,-0.1 4,-2.2 42,-0.1 3,-1.8 -0.253 68.5-108.3 -61.5 156.3 13.6 51.3 45.2 111 111 A F H 3> S+ 0 0 5 40,-0.7 4,-2.0 1,-0.3 5,-0.3 0.861 116.7 63.9 -58.5 -38.5 14.5 50.5 48.8 112 112 A D H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 -47,-0.2 0.659 117.9 29.8 -61.4 -11.4 17.8 48.9 48.0 113 113 A H H <4 S+ 0 0 0 -3,-1.8 -49,-2.3 -49,-0.1 -48,-0.2 0.681 127.6 35.4-117.5 -28.6 18.9 52.3 46.7 114 114 A A H >< S+ 0 0 0 -4,-2.2 3,-1.9 -51,-0.1 4,-0.3 0.561 85.6 89.7-109.0 -9.4 17.0 54.9 48.7 115 115 A A G >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.3 -49,-0.2 0.853 86.4 58.0 -57.2 -34.9 16.7 53.6 52.3 116 116 A G G 3 S+ 0 0 3 -51,-2.2 -1,-0.3 -5,-0.3 -50,-0.1 0.250 80.8 91.1 -81.2 15.2 20.0 55.2 53.2 117 117 A L G < S+ 0 0 0 -3,-1.9 8,-1.0 -52,-0.2 2,-0.3 0.758 95.6 18.8 -79.8 -26.5 18.7 58.7 52.2 118 118 A T S < S- 0 0 1 -3,-0.9 -50,-0.3 6,-0.3 2,-0.1 -0.933 71.3-129.5-139.4 162.0 17.4 59.5 55.7 119 119 A D > - 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f 0 166A 2 32,-1.9 34,-1.4 -2,-0.5 2,-0.1 -0.983 44.7-103.3-138.2 147.5 15.3 62.1 40.6 134 134 A Q E > - f 0 167A 0 -2,-0.3 4,-2.4 -28,-0.3 34,-0.2 -0.490 38.9-123.1 -67.2 139.2 13.6 61.5 37.3 135 135 A Q H > S+ 0 0 59 32,-3.0 4,-1.9 1,-0.2 -1,-0.1 0.854 107.8 43.3 -56.3 -41.5 10.1 63.1 37.6 136 136 A D H > S+ 0 0 64 31,-0.3 4,-2.1 2,-0.2 5,-0.2 0.846 110.7 56.1 -75.6 -32.1 8.0 60.0 36.9 137 137 A E H > S+ 0 0 1 51,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.953 110.4 46.1 -60.3 -49.5 10.2 57.8 39.1 138 138 A W H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.895 108.9 55.4 -59.4 -44.3 9.5 60.3 42.0 139 139 A H H X S+ 0 0 89 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.883 112.7 41.5 -58.0 -42.3 5.7 60.3 41.2 140 140 A E H < S+ 0 0 29 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.851 106.9 63.7 -75.8 -32.5 5.5 56.6 41.5 141 141 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 113.5 33.3 -56.8 -40.7 7.8 56.6 44.5 142 142 A I H < S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.625 130.2 37.4 -90.8 -14.8 5.2 58.6 46.5 143 143 A A S < S+ 0 0 70 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.537 82.5 174.7-133.3 65.6 2.2 57.0 44.7 144 144 A P - 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