==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-MAY-12 4F21 . COMPND 2 MOLECULE: CARBOXYLESTERASE/PHOSPHOLIPASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR E.V.FILIPPOVA,G.MINASOV,KUHN M.,Z.WAWRZAK,SHUVALOVA L.,I.DUB . 1696 34 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 79219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1148 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 225 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 2.4 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 . 2 0.1 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 . 152 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.4 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 7 2 1 3 2 0 2 4 3 2 8 3 1 1 0 1 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 18 17 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 8 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 7 1 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 N 0 0 171 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.0 4.6 19.3 6.3 2 0 A A + 0 0 104 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.464 360.0 139.7 -69.5 123.5 3.3 20.7 3.0 3 1 A M - 0 0 46 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.974 37.7-144.3-161.7 146.8 1.0 18.3 1.2 4 2 A N + 0 0 99 -2,-0.3 46,-3.1 46,-0.0 2,-0.3 -0.836 23.7 170.6-109.5 155.1 -2.2 18.1 -0.8 5 3 A Y E -A 49 0A 101 -2,-0.3 2,-0.4 44,-0.3 -2,-0.0 -0.953 34.3-119.6-163.5 143.0 -4.9 15.4 -0.7 6 4 A E E -A 48 0A 107 42,-2.5 42,-2.8 -2,-0.3 2,-0.5 -0.697 33.6-160.4 -80.6 132.3 -8.3 14.5 -1.9 7 5 A L E -A 47 0A 70 -2,-0.4 2,-0.6 40,-0.2 40,-0.2 -0.961 11.3-165.2-124.1 122.3 -10.7 13.9 1.0 8 6 A M E -A 46 0A 58 38,-2.5 38,-2.4 -2,-0.5 -2,-0.0 -0.917 10.2-156.6-105.1 113.8 -14.0 12.0 0.8 9 7 A E - 0 0 111 -2,-0.6 36,-0.1 36,-0.2 4,-0.1 -0.758 24.1-118.7 -88.5 131.8 -16.2 12.5 3.8 10 8 A P - 0 0 18 0, 0.0 32,-0.2 0, 0.0 4,-0.1 -0.190 16.0-115.5 -71.2 161.8 -18.7 9.7 4.4 11 9 A A S S+ 0 0 91 30,-0.8 31,-0.2 33,-0.1 32,-0.1 0.947 101.9 32.7 -61.0 -53.2 -22.5 10.0 4.3 12 10 A K S S- 0 0 129 30,-1.9 32,-0.1 1,-0.2 3,-0.1 -0.241 120.6 -48.4 -89.4-172.9 -22.8 9.1 8.0 13 11 A Q - 0 0 158 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 -0.285 64.3-106.6 -60.2 138.9 -20.4 9.8 10.8 14 12 A A + 0 0 22 1,-0.2 30,-0.2 -4,-0.1 -1,-0.1 -0.563 56.7 148.0 -70.1 117.7 -16.8 8.9 10.0 15 13 A R + 0 0 109 28,-1.4 90,-0.3 -2,-0.5 2,-0.2 0.548 64.5 38.3-119.9 -24.5 -15.9 5.8 11.9 16 14 A F E -b 44 0A 7 27,-2.3 29,-2.8 -3,-0.2 2,-0.3 -0.778 64.1-161.0-126.5 167.6 -13.4 4.2 9.5 17 15 A C E -bc 45 109A 0 91,-2.0 93,-2.5 -2,-0.2 2,-0.5 -0.981 8.5-160.3-155.2 138.2 -10.7 5.5 7.1 18 16 A V E -bc 46 110A 0 27,-2.5 29,-2.7 -2,-0.3 2,-0.9 -0.953 7.9-158.4-123.6 113.7 -8.7 4.3 4.1 19 17 A I E -bc 47 111A 0 91,-2.5 93,-2.4 -2,-0.5 2,-0.6 -0.815 15.0-167.0 -89.8 107.3 -5.4 6.0 3.2 20 18 A W E - c 0 112A 1 27,-2.6 2,-0.3 -2,-0.9 93,-0.2 -0.872 4.1-165.3-102.3 115.3 -4.9 5.2 -0.5 21 19 A L E + c 0 113A 0 91,-2.5 93,-1.1 -2,-0.6 2,-0.3 -0.747 10.7 174.5-103.4 145.0 -1.4 5.9 -1.9 22 20 A H E c 0 114A 26 27,-0.3 32,-0.2 -2,-0.3 5,-0.2 -0.994 360.0 360.0-145.7 148.1 -0.2 6.2 -5.5 23 21 A G 0 0 17 3,-0.5 3,-0.3 91,-0.5 4,-0.2 -0.294 360.0 360.0 -67.6 360.0 3.1 7.2 -7.1 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 24 A A 0 0 103 0, 0.0 1022,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -53.8 3.6 6.0 -15.3 26 25 A D + 0 0 17 -3,-0.3 2,-1.3 1,-0.1 -3,-0.5 0.198 360.0 107.4-122.0 12.6 2.0 4.2 -12.3 27 26 A G + 0 0 34 -4,-0.2 24,-0.1 -5,-0.2 -1,-0.1 -0.391 54.5 178.0 -87.2 57.8 0.5 7.2 -10.5 28 27 A H - 0 0 102 -2,-1.3 2,-1.4 1,-0.1 86,-0.1 -0.235 36.7-113.9 -65.5 149.7 -3.1 6.3 -11.5 29 28 A D > + 0 0 100 1,-0.2 3,-0.7 2,-0.0 -1,-0.1 -0.650 40.4 169.0 -87.9 85.4 -6.0 8.4 -10.4 30 29 A F G > + 0 0 8 -2,-1.4 3,-1.4 1,-0.2 4,-0.3 0.260 44.8 109.5 -81.0 11.5 -7.8 6.0 -8.1 31 30 A V G > S+ 0 0 32 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.855 78.7 51.4 -57.0 -34.2 -10.1 8.7 -6.8 32 31 A D G X S+ 0 0 64 -3,-0.7 3,-2.2 1,-0.2 -1,-0.3 0.671 81.1 94.6 -74.1 -19.2 -13.0 7.1 -8.6 33 32 A I G X S+ 0 0 5 -3,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.736 70.7 73.4 -47.8 -27.4 -12.3 3.7 -7.1 34 33 A V G X S+ 0 0 21 -3,-0.7 3,-1.2 -4,-0.3 -1,-0.3 0.853 90.5 54.6 -57.8 -39.2 -14.9 4.5 -4.5 35 34 A N G < S+ 0 0 116 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.455 99.0 67.3 -75.5 1.2 -17.8 4.1 -6.9 36 35 A Y G < S+ 0 0 108 -3,-1.9 -1,-0.2 -4,-0.3 2,-0.2 0.391 84.4 89.7-102.6 2.9 -16.5 0.6 -7.7 37 36 A F < - 0 0 23 -3,-1.2 172,-0.1 -4,-0.1 4,-0.1 -0.622 59.5-151.9-106.9 159.8 -17.2 -1.1 -4.4 38 37 A D + 0 0 136 -2,-0.2 2,-0.3 171,-0.2 -1,-0.1 0.225 65.6 103.3-109.5 10.4 -20.1 -2.9 -2.9 39 38 A V S S- 0 0 17 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.741 84.3 -94.9 -99.1 145.0 -19.4 -2.1 0.8 40 39 A S - 0 0 53 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.368 32.6-173.2 -58.0 118.0 -21.3 0.5 2.8 41 40 A L > + 0 0 45 -2,-0.2 -30,-0.8 1,-0.2 3,-0.7 0.007 55.3 111.0-101.8 24.9 -19.4 3.8 2.6 42 41 A D T 3 S+ 0 0 61 1,-0.2 -30,-1.9 -32,-0.2 -1,-0.2 0.861 91.1 24.5 -59.9 -37.9 -21.7 5.3 5.1 43 42 A E T 3 S+ 0 0 47 -3,-0.4 -27,-2.3 -32,-0.1 -28,-1.4 -0.077 99.1 104.4-124.9 34.2 -18.9 5.4 7.7 44 43 A I E < - b 0 16A 3 -3,-0.7 2,-0.4 -29,-0.2 -27,-0.2 -0.942 48.7-158.7-126.7 114.5 -15.7 5.5 5.7 45 44 A R E - b 0 17A 19 -29,-2.8 -27,-2.5 -2,-0.5 2,-0.5 -0.703 15.4-146.9 -83.3 136.1 -13.5 8.5 5.2 46 45 A F E -Ab 8 18A 4 -38,-2.4 -38,-2.5 -2,-0.4 2,-0.6 -0.920 9.2-164.5-111.5 129.0 -11.2 8.3 2.2 47 46 A I E +Ab 7 19A 1 -29,-2.7 -27,-2.6 -2,-0.5 -40,-0.2 -0.939 8.4 178.5-113.4 115.2 -7.7 9.9 2.1 48 47 A F E -A 6 0A 2 -42,-2.8 -42,-2.5 -2,-0.6 -27,-0.1 -0.764 15.0-160.5-115.6 84.0 -6.0 10.4 -1.3 49 48 A P E -A 5 0A 1 0, 0.0 -27,-0.3 0, 0.0 -44,-0.3 -0.314 27.5-104.4 -61.9 144.0 -2.6 12.1 -0.7 50 49 A H > - 0 0 68 -46,-3.1 3,-2.4 1,-0.1 4,-0.2 -0.351 36.1-101.2 -70.3 154.5 -1.0 13.8 -3.8 51 50 A A G > S+ 0 0 23 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.495 111.1 82.4 -60.9 -5.0 1.9 12.0 -5.5 52 51 A D G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -48,-0.1 4,-0.1 0.733 80.6 66.9 -70.3 -21.0 4.4 14.3 -3.8 53 52 A I G < S+ 0 0 2 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.722 96.1 63.4 -68.5 -21.2 4.1 12.0 -0.8 54 53 A I S < S- 0 0 8 -3,-1.1 -1,-0.2 -4,-0.2 63,-0.1 -0.893 89.6-141.0-107.1 102.2 5.7 9.4 -3.0 55 54 A P > - 0 0 27 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.182 7.3-135.1 -60.0 153.8 9.3 10.5 -4.0 56 55 A V T 3> S+ 0 0 64 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.829 91.5 80.1 -78.6 -31.2 10.5 9.9 -7.5 57 56 A T T 34 S+ 0 0 71 1,-0.2 24,-0.9 2,-0.1 4,-0.4 0.346 81.4 69.2 -63.9 6.9 13.9 8.6 -6.5 58 57 A I T <> S+ 0 0 2 -3,-0.5 4,-1.1 22,-0.2 -1,-0.2 0.949 101.5 32.4 -91.8 -63.3 12.6 5.1 -5.6 59 58 A N H > S+ 0 0 17 -3,-0.4 4,-2.3 1,-0.2 -2,-0.1 0.452 105.1 81.2 -75.7 0.3 11.6 3.3 -8.8 60 59 A M H < S+ 0 0 67 -4,-0.6 5,-0.3 2,-0.2 -1,-0.2 0.999 99.0 31.7 -68.5 -68.2 14.3 5.1 -10.7 61 60 A G H >>>S+ 0 0 8 -4,-0.4 4,-2.4 1,-0.2 3,-1.4 0.915 120.8 56.0 -53.8 -47.1 17.3 3.0 -9.7 62 61 A M H 3X5S+ 0 0 3 -4,-1.1 4,-1.5 1,-0.3 2,-0.3 0.958 117.0 31.9 -46.3 -64.4 15.0 -0.0 -9.5 63 62 A Q H 3<5S+ 0 0 56 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 -0.237 121.3 49.2-100.5 44.8 13.7 0.3 -13.1 64 63 A M H <45S+ 0 0 19 -3,-1.4 -1,-0.2 -2,-0.3 -2,-0.2 0.335 118.7 33.0-136.5 -29.5 16.8 1.8 -14.7 65 64 A R H <5S+ 0 0 14 -4,-2.4 581,-0.5 -5,-0.3 -3,-0.2 0.893 99.1 83.5 -92.8 -48.9 19.5 -0.7 -13.4 66 65 A A S < - 0 0 67 583,-0.1 3,-1.4 1,-0.1 583,-0.2 -0.352 32.6-112.9 -70.1 152.6 17.2 -6.5 -16.0 68 67 A Y T 3 S+ 0 0 5 581,-2.4 -1,-0.1 1,-0.3 582,-0.1 0.790 119.5 41.5 -55.2 -31.8 14.0 -6.4 -18.0 69 68 A D T 3 S+ 0 0 19 580,-0.3 -1,-0.3 104,-0.0 -2,-0.1 -0.342 87.2 177.1-112.7 48.1 13.1 -9.8 -16.7 70 69 A I < + 0 0 22 -3,-1.4 105,-0.2 1,-0.1 106,-0.1 -0.158 13.6 174.4 -56.9 145.9 14.3 -9.3 -13.1 71 70 A K + 0 0 159 1,-0.3 2,-0.3 104,-0.1 -1,-0.1 0.551 56.8 6.0-129.1 -20.9 13.7 -12.1 -10.6 72 71 A S 0 0 87 107,-0.0 -1,-0.3 104,-0.0 104,-0.1 -0.966 360.0 360.0-159.0 172.0 15.3 -11.2 -7.3 73 72 A L 0 0 81 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.802 360.0 360.0-123.8 360.0 17.0 -8.5 -5.2 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 76 A S > 0 0 130 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 15.3 23.5 -6.0 -5.2 76 77 A L G > + 0 0 29 1,-0.2 3,-1.5 2,-0.1 -10,-0.1 0.549 360.0 89.7 -86.0 -10.6 20.8 -3.7 -6.6 77 78 A N G > + 0 0 102 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.617 66.3 80.5 -60.6 -13.8 20.4 -2.4 -3.1 78 79 A R G < S+ 0 0 171 -3,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.795 94.9 42.0 -67.1 -30.7 23.0 0.3 -3.8 79 80 A V G < S+ 0 0 52 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 -0.501 82.6 106.0-122.3 62.9 20.6 2.6 -5.7 80 81 A V S < S- 0 0 24 -3,-0.7 2,-2.1 -2,-0.2 3,-0.2 -0.947 70.7-125.1-136.7 117.3 17.4 2.6 -3.7 81 82 A D + 0 0 61 -24,-0.9 5,-0.1 -2,-0.4 -2,-0.1 -0.370 39.0 165.0 -69.6 81.6 16.6 5.8 -1.7 82 83 A V 0 0 40 -2,-2.1 4,-2.2 3,-0.1 -1,-0.2 0.893 360.0 360.0 -60.4 -40.8 16.1 4.3 1.7 83 84 A E 0 0 158 -3,-0.2 4,-0.9 2,-0.2 3,-0.4 0.851 360.0 360.0 -70.2 360.0 16.4 7.8 3.2 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 86 A I > 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -64.5 11.2 6.0 1.7 86 87 A N H > + 0 0 63 -4,-2.2 4,-2.7 -3,-0.4 5,-0.2 0.877 360.0 46.9 -41.6 -59.8 11.6 6.9 5.4 87 88 A S H > S+ 0 0 64 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.936 113.4 49.5 -50.4 -52.7 10.5 10.6 5.0 88 89 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 108.8 53.2 -54.6 -45.5 7.5 9.5 3.0 89 90 A I H X S+ 0 0 11 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.947 107.2 51.5 -54.2 -50.1 6.7 6.9 5.6 90 91 A A H X S+ 0 0 49 -4,-2.7 4,-3.4 2,-0.2 -1,-0.2 0.873 105.0 57.0 -56.6 -39.1 6.8 9.7 8.2 91 92 A K H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.972 109.2 44.7 -55.9 -54.1 4.4 11.7 6.1 92 93 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.915 111.2 55.0 -55.0 -44.0 1.9 8.9 6.2 93 94 A N H X S+ 0 0 18 -4,-2.9 4,-3.7 2,-0.2 5,-0.2 0.938 107.5 48.8 -55.9 -47.8 2.6 8.6 9.9 94 95 A K H X S+ 0 0 111 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.942 110.7 51.3 -55.9 -48.8 1.7 12.2 10.4 95 96 A L H X S+ 0 0 20 -4,-2.7 4,-1.7 2,-0.2 3,-0.4 0.915 112.0 46.4 -53.9 -46.1 -1.4 11.6 8.4 96 97 A I H >X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.3 3,-0.6 0.954 111.2 51.4 -62.6 -46.4 -2.3 8.7 10.6 97 98 A D H 3X S+ 0 0 68 -4,-3.7 4,-1.2 1,-0.3 -1,-0.3 0.735 110.0 52.4 -61.4 -21.5 -1.5 10.8 13.7 98 99 A S H 3X S+ 0 0 55 -4,-1.6 4,-0.7 -3,-0.4 -1,-0.3 0.795 109.9 45.8 -84.7 -30.5 -3.8 13.4 12.1 99 100 A Q H << S+ 0 0 4 -4,-1.7 -2,-0.2 -3,-0.6 -3,-0.1 0.767 110.8 54.3 -82.9 -28.0 -6.7 10.9 11.7 100 101 A V H < S+ 0 0 48 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.1 0.966 110.5 43.0 -67.9 -54.3 -6.3 9.5 15.2 101 102 A N H < 0 0 137 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.666 360.0 360.0 -73.2 -17.0 -6.5 12.8 17.0 102 103 A Q < 0 0 124 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.986 360.0 360.0 -62.7 360.0 -9.4 13.9 14.8 103 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 104 105 A I 0 0 30 0, 0.0 -2,-0.2 0, 0.0 -88,-0.1 0.000 360.0 360.0 360.0 125.0 -10.7 7.8 14.1 105 106 A A > - 0 0 38 -90,-0.3 3,-2.4 1,-0.1 -88,-0.1 -0.346 360.0-126.6 -65.0 140.4 -9.0 4.9 15.9 106 107 A S G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.2 27,-0.6 0.815 111.4 58.2 -60.1 -32.4 -5.7 3.8 14.4 107 108 A E G 3 S+ 0 0 90 1,-0.3 -1,-0.3 25,-0.3 25,-0.2 0.491 101.6 59.2 -74.3 -3.0 -6.9 0.2 14.1 108 109 A N G < S+ 0 0 35 -3,-2.4 -91,-2.0 -92,-0.0 2,-0.4 0.142 89.1 87.4-110.9 14.8 -9.7 1.6 12.0 109 110 A I E < -c 17 0A 0 -3,-1.5 24,-2.1 -93,-0.2 25,-0.7 -0.967 62.8-156.6-114.3 132.1 -7.4 3.1 9.4 110 111 A I E -cd 18 134A 0 -93,-2.5 -91,-2.5 -2,-0.4 2,-0.8 -0.928 6.5-148.6-112.2 128.9 -6.2 1.0 6.4 111 112 A L E +cd 19 135A 0 23,-2.7 25,-2.1 -2,-0.5 2,-0.4 -0.833 23.3 177.2 -95.2 107.2 -3.1 1.7 4.4 112 113 A A E -cd 20 136A 0 -93,-2.4 -91,-2.5 -2,-0.8 2,-0.3 -0.874 2.5-177.9-109.7 144.0 -3.5 0.6 0.8 113 114 A G E -cd 21 137A 0 23,-2.5 25,-1.7 -2,-0.4 2,-0.4 -0.995 15.7-154.6-143.3 147.9 -0.9 1.1 -1.9 114 115 A F E > -cd 22 138A 6 -93,-1.1 3,-2.4 -2,-0.3 -91,-0.5 -0.985 59.0 -49.4-123.1 133.1 -0.5 0.5 -5.6 115 116 A S T 3 S+ 0 0 0 23,-3.1 4,-0.4 -2,-0.4 3,-0.3 -0.219 133.7 14.2 54.7-115.7 2.8 -0.0 -7.5 116 117 A Q T > S+ 0 0 18 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.831 135.4 48.1 -59.5 -34.1 5.3 2.7 -6.5 117 118 A G T X S+ 0 0 0 -3,-2.4 3,-1.4 -91,-0.2 4,-0.4 0.792 89.9 79.3 -78.8 -29.8 3.0 3.6 -3.6 118 119 A G T 3> S+ 0 0 0 -3,-0.3 4,-1.2 20,-0.3 3,-0.4 0.666 85.9 63.5 -56.0 -19.9 2.5 0.1 -2.2 119 120 A I H <> S+ 0 0 1 -3,-0.6 4,-1.4 -4,-0.4 5,-0.3 0.896 98.3 52.6 -68.7 -42.0 5.9 0.3 -0.6 120 121 A I H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.471 107.3 53.5 -80.6 -1.7 5.0 3.1 1.8 121 122 A A H > S+ 0 0 0 -4,-0.4 4,-1.9 -3,-0.4 -1,-0.2 0.847 112.6 37.8 -96.4 -46.0 1.9 1.3 3.1 122 123 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.3 0.995 118.0 46.8 -68.1 -64.8 3.4 -2.0 4.2 123 124 A Y H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.811 113.8 51.6 -46.5 -41.1 6.7 -0.7 5.6 124 125 A T H >> S+ 0 0 0 -5,-0.3 3,-1.7 2,-0.2 4,-1.4 0.979 110.8 45.2 -60.4 -57.5 4.9 2.0 7.4 125 126 A A H 3< S+ 0 0 0 -4,-1.9 7,-0.2 1,-0.3 -2,-0.2 0.832 112.4 51.1 -61.1 -35.5 2.3 -0.3 9.1 126 127 A I T 3< S+ 0 0 0 -4,-2.4 27,-4.1 1,-0.2 -1,-0.3 0.512 119.7 36.6 -82.8 -4.1 5.0 -2.9 10.1 127 128 A T T <4 S+ 0 0 26 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.368 87.8 122.1-119.4 -5.0 7.1 -0.1 11.7 128 129 A S < - 0 0 0 -4,-1.4 27,-0.2 1,-0.2 4,-0.1 -0.429 60.1-145.0 -59.1 123.5 4.1 1.8 13.0 129 130 A Q S S+ 0 0 128 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.593 80.2 58.9 -68.9 -9.9 4.5 2.1 16.7 130 131 A R S S- 0 0 38 -24,-0.0 2,-0.6 -5,-0.0 -2,-0.1 -0.810 98.6 -86.4-124.3 164.1 0.7 1.8 17.0 131 132 A K - 0 0 95 -2,-0.3 2,-0.1 2,-0.0 25,-0.1 -0.526 48.3-172.3 -74.9 111.9 -2.0 -0.7 16.1 132 133 A L - 0 0 1 -2,-0.6 -25,-0.3 -7,-0.2 -22,-0.1 -0.317 25.6-123.0 -98.0-176.4 -3.2 -0.1 12.5 133 134 A G - 0 0 9 -24,-2.1 2,-0.3 -27,-0.6 -23,-0.2 0.769 66.0 -43.3-104.4 -32.0 -6.1 -1.6 10.6 134 135 A G E -d 110 0A 0 -25,-0.7 -23,-2.7 25,-0.1 2,-0.4 -0.947 38.1-123.7 173.9 166.2 -4.8 -3.2 7.4 135 136 A I E -de 111 161A 0 25,-1.8 27,-3.5 -2,-0.3 2,-0.5 -0.999 11.1-167.0-130.0 133.4 -2.5 -3.1 4.4 136 137 A M E -de 112 162A 0 -25,-2.1 -23,-2.5 -2,-0.4 2,-0.4 -0.725 11.0-170.8-120.8 84.6 -3.5 -3.5 0.8 137 138 A A E -de 113 163A 1 25,-1.5 27,-2.9 -2,-0.5 2,-0.5 -0.604 5.8-175.7 -76.0 124.1 -0.4 -4.1 -1.3 138 139 A L E -de 114 164A 0 -25,-1.7 -23,-3.1 -2,-0.4 -20,-0.3 -0.955 65.2 -25.3-129.8 111.0 -1.2 -3.9 -5.0 139 140 A S S S+ 0 0 0 25,-2.6 2,-0.4 -2,-0.5 26,-0.1 0.862 100.2 138.0 59.6 41.8 1.4 -4.7 -7.7 140 141 A T - 0 0 2 24,-0.4 -1,-0.2 -22,-0.1 40,-0.2 -0.966 42.1-151.9-130.5 132.4 4.2 -3.7 -5.4 141 142 A Y - 0 0 2 -2,-0.4 36,-0.1 -26,-0.1 -3,-0.1 -0.273 26.8-112.8 -86.9 178.3 7.6 -5.2 -4.6 142 143 A L > - 0 0 0 34,-0.3 3,-0.5 -2,-0.1 2,-0.1 -0.773 39.1-176.7-120.6 86.3 9.6 -5.0 -1.3 143 144 A P T 3 + 0 0 2 0, 0.0 -66,-0.0 0, 0.0 -63,-0.0 -0.342 62.7 19.3 -81.6 161.6 12.7 -2.9 -1.8 144 145 A A T >> S+ 0 0 17 1,-0.1 4,-1.3 3,-0.1 3,-0.7 0.811 70.0 159.9 50.2 36.9 15.4 -2.1 0.8 145 146 A W H <> S+ 0 0 36 -3,-0.5 4,-1.0 1,-0.3 -1,-0.1 0.784 70.0 57.7 -59.4 -27.6 14.3 -5.1 2.8 146 147 A D H 34 S+ 0 0 106 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.853 106.4 47.4 -70.2 -35.9 17.7 -5.2 4.5 147 148 A N H <4 S+ 0 0 91 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.728 121.3 33.9 -78.1 -23.2 17.3 -1.6 5.7 148 149 A F H < S+ 0 0 1 -4,-1.3 3,-0.3 1,-0.1 -1,-0.2 0.461 91.5 89.5-113.5 -4.3 13.8 -2.0 7.1 149 150 A K S >< S+ 0 0 91 -4,-1.0 3,-0.5 1,-0.2 -2,-0.1 0.792 90.8 45.8 -68.7 -29.6 13.7 -5.6 8.4 150 151 A G T 3 S+ 0 0 72 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.707 101.4 65.6 -86.1 -21.0 15.0 -4.8 11.9 151 152 A K T 3 S+ 0 0 122 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.297 75.3 131.6 -85.0 10.1 12.7 -1.8 12.5 152 153 A I < - 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