==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 02-MAY-96 1GYM . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR D.W.HEINZ,M.RYAN,M.P.SMITH,L.H.WEAVER,J.F.W.KEANA, . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 2 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 1 1 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 . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 A 0 0 84 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-156.3 27.7 65.0 98.7 2 2 A S + 0 0 111 294,-0.1 2,-0.4 15,-0.0 3,-0.0 -0.308 360.0 104.1-121.0 55.3 28.2 65.1 102.4 3 3 A S > - 0 0 50 -2,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.988 61.5-139.8-131.8 140.8 24.9 64.6 104.4 4 4 A V G > S+ 0 0 84 -2,-0.4 3,-1.3 1,-0.3 4,-0.3 0.729 102.3 74.7 -68.7 -16.1 23.7 61.5 106.2 5 5 A N G > S+ 0 0 116 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.790 84.0 65.5 -67.2 -21.7 20.3 62.5 104.7 6 6 A E G X S+ 0 0 53 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.750 88.9 63.9 -72.7 -19.8 21.7 61.1 101.4 7 7 A L G < S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.651 91.3 72.2 -75.0 -11.0 21.8 57.7 102.9 8 8 A E G < S+ 0 0 59 -3,-1.3 2,-1.0 -4,-0.3 -1,-0.3 0.526 72.5 85.7 -82.5 -9.0 18.0 58.1 103.1 9 9 A N X> - 0 0 79 -3,-1.3 3,-1.1 1,-0.2 4,-1.0 -0.849 66.6-162.4 -90.9 103.6 17.5 57.8 99.3 10 10 A W T 34 S+ 0 0 46 -2,-1.0 52,-0.3 1,-0.3 -1,-0.2 0.753 84.7 56.2 -62.3 -22.4 17.2 54.1 99.1 11 11 A S T 34 S+ 0 0 26 1,-0.2 -1,-0.3 49,-0.1 97,-0.2 0.735 124.5 18.9 -81.7 -24.9 17.8 54.2 95.3 12 12 A K T X4 S+ 0 0 46 -3,-1.1 3,-3.3 -6,-0.2 -2,-0.2 0.141 77.7 133.6-132.3 25.4 21.1 56.0 95.5 13 13 A W T 3< S+ 0 0 0 -4,-1.0 4,-0.2 1,-0.3 -3,-0.1 0.617 72.1 59.4 -52.4 -19.8 22.3 55.5 99.1 14 14 A M T 3 S+ 0 0 0 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.527 81.3 90.5 -86.5 -7.2 25.8 54.5 98.0 15 15 A Q S < S+ 0 0 96 -3,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.932 86.4 45.7 -53.2 -53.0 26.1 57.9 96.3 16 16 A P S S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.717 89.7 100.3 -68.9 -18.4 27.6 59.7 99.4 17 17 A I S S- 0 0 2 -3,-0.5 279,-0.1 -4,-0.2 2,-0.1 -0.445 83.1-102.5 -70.7 136.4 30.1 57.0 100.3 18 18 A P > - 0 0 46 0, 0.0 3,-2.4 0, 0.0 133,-0.3 -0.312 18.1-131.1 -62.6 136.6 33.8 57.6 99.3 19 19 A D T 3 S+ 0 0 91 1,-0.3 133,-2.6 132,-0.2 132,-0.3 0.765 105.1 65.2 -53.4 -30.8 35.1 55.7 96.2 20 20 A S T 3 S+ 0 0 86 131,-0.2 -1,-0.3 130,-0.1 -3,-0.0 0.612 77.0 104.5 -72.5 -12.7 38.1 54.6 98.2 21 21 A I S < S- 0 0 29 -3,-2.4 130,-2.1 129,-0.1 131,-0.1 -0.581 76.0-122.3 -76.2 125.2 36.1 52.5 100.7 22 22 A P B >> -A 150 0A 8 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.323 18.6-125.0 -63.9 140.7 36.4 48.8 100.1 23 23 A L G >4 S+ 0 0 0 126,-2.7 3,-0.5 1,-0.2 127,-0.1 0.844 110.3 64.1 -54.5 -36.4 33.0 47.2 99.5 24 24 A A G 34 S+ 0 0 0 125,-0.4 205,-0.3 1,-0.2 -1,-0.2 0.893 98.9 52.2 -54.2 -42.1 33.8 44.9 102.4 25 25 A R G <4 S+ 0 0 2 -3,-0.6 -1,-0.2 200,-0.3 244,-0.2 0.736 92.8 91.8 -71.3 -21.0 33.8 47.8 104.9 26 26 A I S << S- 0 0 0 -4,-1.0 2,-0.7 -3,-0.5 241,-0.1 -0.393 79.6-126.2 -76.2 146.9 30.4 49.1 103.8 27 27 A S - 0 0 0 262,-0.2 243,-0.2 261,-0.1 265,-0.1 -0.872 38.1-174.8 -94.2 120.9 27.2 47.8 105.6 28 28 A I E -b 270 0B 0 241,-0.7 243,-1.4 -2,-0.7 2,-0.2 -0.931 24.7-136.1-127.6 122.4 25.0 46.5 102.9 29 29 A P E +b 271 0B 0 0, 0.0 35,-2.7 0, 0.0 36,-1.1 -0.541 31.6 176.6 -72.7 148.6 21.5 45.2 102.9 30 30 A G E -bc 272 65B 0 241,-2.0 243,-2.2 33,-0.2 2,-0.4 -0.881 24.0-123.5-141.5 166.2 21.0 42.0 100.8 31 31 A T E > -bc 273 66B 0 34,-2.2 36,-1.1 -2,-0.3 3,-0.6 -0.980 17.0-134.7-121.3 137.5 18.1 39.5 100.1 32 32 A H T 3 S- 0 0 20 241,-2.2 243,-0.2 -2,-0.4 18,-0.1 -0.686 88.5 -1.3 -86.6 138.9 18.1 35.8 100.7 33 33 A D T > S- 0 0 9 -2,-0.3 3,-1.8 1,-0.1 17,-0.4 0.909 82.7-174.6 45.5 49.8 16.7 33.5 97.9 34 34 A S G X + 0 0 0 33,-0.7 3,-0.6 -3,-0.6 34,-0.1 0.746 67.5 58.6 -47.6 -38.3 16.0 36.7 95.9 35 35 A G G > S+ 0 0 4 32,-0.5 3,-0.6 1,-0.2 -1,-0.3 0.312 75.7 92.5 -83.7 13.6 14.2 35.0 93.0 36 36 A T G X + 0 0 1 -3,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.409 51.8 103.8 -86.2 4.8 11.3 33.3 94.8 37 37 A F G < S+ 0 0 31 -3,-0.6 -1,-0.2 1,-0.3 17,-0.1 0.635 71.8 60.6 -63.5 -18.0 8.9 36.2 94.4 38 38 A K G < S+ 0 0 82 -3,-0.6 -1,-0.3 49,-0.3 2,-0.1 0.547 72.8 120.3 -87.4 -7.9 6.8 34.6 91.7 39 39 A L < + 0 0 10 -3,-1.7 48,-0.1 1,-0.2 -3,-0.0 -0.382 27.4 161.6 -59.0 123.8 5.8 31.6 93.8 40 40 A Q + 0 0 161 -2,-0.1 -1,-0.2 9,-0.0 -3,-0.0 0.595 37.8 100.7-119.7 -19.5 2.0 31.5 94.0 41 41 A N S > S- 0 0 90 1,-0.1 4,-3.2 2,-0.0 3,-0.5 -0.612 70.0-136.2 -76.3 121.0 1.1 28.0 95.1 42 42 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.810 102.9 46.4 -39.9 -50.6 0.3 28.1 98.9 43 43 A I H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.910 114.4 46.7 -67.0 -41.0 2.3 25.0 99.7 44 44 A K H >>S+ 0 0 77 -3,-0.5 4,-2.7 1,-0.2 5,-0.6 0.960 110.4 54.4 -64.7 -44.8 5.2 26.0 97.6 45 45 A Q H X5S+ 0 0 68 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.874 107.6 50.1 -53.9 -44.5 5.1 29.5 99.3 46 46 A V H <5S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.937 118.3 37.3 -60.6 -51.8 5.3 28.0 102.8 47 47 A W H <5S+ 0 0 152 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.714 136.9 8.1 -76.5 -23.3 8.2 25.8 102.0 48 48 A G H <5S+ 0 0 3 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.692 85.4 110.3-136.1 -17.9 10.2 28.1 99.8 49 49 A M << + 0 0 20 -4,-1.3 197,-0.2 -5,-0.6 3,-0.1 -0.395 22.0 159.2 -69.7 132.9 9.1 31.7 99.4 50 50 A T + 0 0 3 -17,-0.4 225,-3.8 1,-0.3 2,-0.3 0.435 61.9 43.4-129.5 -6.8 11.4 34.3 101.0 51 51 A Q - 0 0 0 223,-0.2 -1,-0.3 224,-0.2 226,-0.1 -0.973 51.0-164.8-140.7 151.8 10.5 37.5 99.1 52 52 A E S S+ 0 0 55 224,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.559 74.0 52.8-107.9 -23.5 7.2 39.0 98.1 53 53 A Y S S- 0 0 82 223,-0.3 -16,-0.2 1,-0.1 223,-0.1 -0.723 83.8 -97.0-118.2 166.9 8.5 41.6 95.6 54 54 A D > - 0 0 71 -2,-0.2 4,-2.8 -17,-0.1 3,-0.5 -0.269 39.8 -93.3 -80.7 175.5 10.7 41.7 92.6 55 55 A F H > S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.816 124.1 49.7 -51.2 -42.9 14.3 42.5 92.0 56 56 A R H > S+ 0 0 58 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.900 110.5 48.8 -70.7 -37.6 13.6 46.1 91.1 57 57 A Y H > S+ 0 0 45 -3,-0.5 4,-0.6 1,-0.2 -2,-0.2 0.909 111.0 54.2 -64.2 -41.2 11.4 46.6 94.2 58 58 A Q H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 3,-0.8 0.923 110.6 42.8 -60.5 -43.6 14.2 45.0 96.2 59 59 A M H ><5S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.694 108.6 57.6 -75.8 -23.6 16.9 47.4 94.9 60 60 A D H 3<5S+ 0 0 48 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.541 102.5 58.0 -80.1 -10.0 14.8 50.5 95.2 61 61 A H T <<5S- 0 0 17 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.043 129.9 -96.9-102.4 16.8 14.5 49.5 98.9 62 62 A G T < 5S+ 0 0 0 -3,-0.9 -3,-0.2 -52,-0.3 2,-0.2 0.328 74.7 145.1 88.9 -8.4 18.2 49.7 99.2 63 63 A A < + 0 0 0 -5,-1.9 -1,-0.3 -6,-0.2 -33,-0.2 -0.489 13.5 167.4 -69.5 130.3 19.2 46.0 98.8 64 64 A R + 0 0 1 -35,-2.7 47,-3.2 -2,-0.2 2,-0.5 0.409 55.5 72.6-119.7 -9.2 22.5 45.7 96.9 65 65 A I E -cd 30 111B 11 -36,-1.1 -34,-2.2 45,-0.2 2,-0.5 -0.960 60.9-167.7-116.1 125.9 23.4 42.0 97.5 66 66 A F E -cd 31 112B 0 45,-2.3 47,-2.5 -2,-0.5 2,-1.0 -0.960 15.9-147.8-117.2 131.8 21.4 39.3 95.6 67 67 A D E - d 0 113B 5 -36,-1.1 -33,-0.7 -2,-0.5 2,-0.5 -0.821 25.2-171.9 -99.9 94.3 21.6 35.7 96.5 68 68 A I E - d 0 114B 0 45,-2.4 47,-2.4 -2,-1.0 2,-0.6 -0.812 9.1-168.5 -98.0 124.1 21.1 34.0 93.0 69 69 A R E - d 0 115B 29 -2,-0.5 12,-2.2 45,-0.2 47,-0.2 -0.932 18.1-174.7-115.3 110.9 20.6 30.2 92.8 70 70 A G E -Ed 80 116B 0 45,-2.8 47,-2.4 -2,-0.6 48,-0.8 -0.561 20.9-159.2-110.7 172.1 20.8 28.8 89.4 71 71 A R E -E 79 0B 34 8,-1.9 8,-2.6 -2,-0.2 2,-0.4 -0.990 23.5-124.7-149.8 132.2 20.4 25.6 87.3 72 72 A L E -E 78 0B 0 46,-0.3 49,-2.4 -2,-0.3 6,-0.2 -0.673 32.1-162.2 -77.4 123.2 21.7 24.7 83.9 73 73 A T > - 0 0 14 4,-2.6 3,-0.9 -2,-0.4 47,-0.0 -0.445 33.4-104.5 -97.1 179.0 18.9 23.6 81.5 74 74 A D T 3 S+ 0 0 65 1,-0.2 51,-0.2 -2,-0.1 -1,-0.1 0.795 120.5 63.5 -67.0 -39.6 19.0 21.6 78.2 75 75 A D T 3 S- 0 0 125 2,-0.1 -1,-0.2 49,-0.1 3,-0.1 0.381 117.5-118.1 -66.7 1.7 18.5 24.9 76.3 76 76 A N S < S+ 0 0 20 -3,-0.9 2,-0.3 1,-0.3 -2,-0.1 0.745 75.9 117.6 60.4 35.8 21.8 25.8 77.8 77 77 A T - 0 0 42 -6,-0.1 -4,-2.6 14,-0.0 2,-0.5 -0.772 65.0-117.8-120.5 164.4 20.6 28.8 79.8 78 78 A I E -E 72 0B 0 -2,-0.3 13,-2.1 -6,-0.2 14,-0.4 -0.933 32.5-176.5-108.8 120.5 20.7 29.2 83.6 79 79 A V E -EF 71 90B 12 -8,-2.6 -8,-1.9 -2,-0.5 2,-0.3 -0.709 28.3 -98.6-111.2 169.7 17.4 29.5 85.3 80 80 A L E +E 70 0B 2 9,-2.3 7,-3.1 -2,-0.2 9,-0.4 -0.723 41.5 176.2 -96.3 141.7 16.5 30.1 89.0 81 81 A H E - F 0 86B 6 -12,-2.2 2,-0.5 -2,-0.3 5,-0.2 -0.901 34.1-148.4-138.1 158.9 15.6 27.4 91.5 82 82 A H E > S- F 0 85B 49 3,-2.9 3,-2.3 -2,-0.3 36,-0.0 -0.928 81.4 -57.8-125.2 94.8 14.8 26.7 95.1 83 83 A G T 3 S- 0 0 18 -2,-0.5 -1,-0.1 1,-0.3 34,-0.1 -0.416 123.8 -11.4 66.5-129.4 16.1 23.2 95.5 84 84 A P T 3 S+ 0 0 88 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.597 118.2 98.9 -79.1 -10.6 14.4 21.0 92.9 85 85 A L E < -F 82 0B 43 -3,-2.3 -3,-2.9 -41,-0.0 2,-0.4 -0.704 67.5-140.2 -93.2 128.0 11.8 23.7 92.1 86 86 A Y E -F 81 0B 88 -2,-0.5 -5,-0.3 -5,-0.2 -1,-0.0 -0.655 10.1-152.1 -74.1 133.0 12.1 26.1 89.1 87 87 A L E - 0 0 5 -7,-3.1 -49,-0.3 -2,-0.4 -6,-0.1 0.377 30.4-117.0 -96.4 7.8 11.1 29.6 90.1 88 88 A Y E S+ 0 0 148 -8,-0.3 2,-0.3 1,-0.3 -7,-0.1 0.855 85.7 102.7 59.4 37.6 9.8 31.0 86.7 89 89 A V E - 0 0 0 -9,-0.4 -9,-2.3 -52,-0.0 -1,-0.3 -0.981 58.7-149.8-144.2 144.7 12.6 33.5 86.8 90 90 A T E > -F 79 0B 44 -2,-0.3 4,-1.6 -11,-0.2 -11,-0.2 -0.752 26.7-115.4-116.8 171.1 15.8 33.4 84.7 91 91 A L H > S+ 0 0 0 -13,-2.1 4,-2.7 -2,-0.3 5,-0.2 0.945 119.2 51.2 -67.3 -45.8 19.4 34.6 85.2 92 92 A H H > S+ 0 0 87 -14,-0.4 4,-2.6 1,-0.2 5,-0.3 0.911 105.0 58.6 -54.8 -43.6 19.0 37.0 82.2 93 93 A E H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.937 109.3 43.1 -56.1 -39.7 15.9 38.2 83.9 94 94 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.2 3,-0.3 0.938 112.1 51.9 -70.8 -47.6 17.9 39.2 86.9 95 95 A I H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.854 108.8 51.9 -57.9 -36.7 20.8 40.7 85.0 96 96 A N H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.836 108.0 49.5 -71.2 -35.3 18.4 42.9 83.0 97 97 A E H X S+ 0 0 64 -4,-1.4 4,-2.9 -5,-0.3 5,-0.2 0.976 113.6 47.7 -68.2 -45.5 16.7 44.3 86.1 98 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.863 110.8 52.1 -61.2 -37.1 20.2 45.0 87.5 99 99 A K H X S+ 0 0 60 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.921 111.4 45.3 -65.3 -46.9 21.2 46.6 84.2 100 100 A Q H >X S+ 0 0 97 -4,-2.3 4,-2.2 2,-0.2 3,-1.0 0.981 114.5 49.1 -61.3 -48.8 18.2 48.9 84.2 101 101 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.886 111.2 48.7 -57.5 -42.2 18.7 49.8 87.9 102 102 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.718 109.7 53.9 -72.9 -17.9 22.4 50.6 87.4 103 103 A K H << S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.902 113.1 40.5 -78.6 -48.2 21.5 52.7 84.4 104 104 A D H < S+ 0 0 83 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.773 129.7 31.8 -69.3 -28.4 19.0 54.9 86.4 105 105 A N >< + 0 0 14 -4,-2.0 3,-1.8 -5,-0.3 51,-0.3 -0.559 67.0 169.2-135.3 71.5 21.3 54.9 89.4 106 106 A P T 3 S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.354 70.7 72.8 -60.8 -6.6 24.9 54.8 88.2 107 107 A S T 3 S+ 0 0 6 48,-0.1 48,-0.1 49,-0.1 -95,-0.1 0.781 90.6 78.7 -80.2 -25.5 26.2 55.6 91.7 108 108 A E < - 0 0 0 -3,-1.8 48,-3.5 -97,-0.2 2,-0.3 -0.092 61.1-156.2 -85.8 168.2 25.3 52.1 92.8 109 109 A T - 0 0 0 46,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.917 9.8-144.9-135.7 156.1 26.7 48.7 92.5 110 110 A I E - g 0 158B 0 47,-1.5 49,-3.3 -2,-0.3 2,-0.5 -0.999 7.6-152.1-125.4 129.6 25.0 45.3 92.7 111 111 A I E -dg 65 159B 0 -47,-3.2 -45,-2.3 -2,-0.4 2,-0.6 -0.918 13.7-162.3-100.2 123.8 26.8 42.3 94.2 112 112 A M E -dg 66 160B 0 47,-3.8 49,-3.1 -2,-0.5 2,-0.5 -0.936 6.5-162.6-114.8 119.9 25.6 39.1 92.8 113 113 A S E -dg 67 161B 10 -47,-2.5 -45,-2.4 -2,-0.6 2,-0.5 -0.811 13.1-161.8 -91.5 133.5 26.3 35.8 94.5 114 114 A L E +dg 68 162B 0 47,-2.1 49,-2.2 -2,-0.5 2,-0.4 -0.974 12.9 173.3-125.4 129.2 25.8 32.9 92.2 115 115 A K E -dg 69 163B 62 -47,-2.4 -45,-2.8 -2,-0.5 2,-0.9 -0.953 37.0-121.8-131.1 142.3 25.3 29.3 93.4 116 116 A K E -d 70 0B 66 47,-0.7 -45,-0.2 -2,-0.4 -47,-0.1 -0.784 33.7-178.4 -81.7 108.3 24.5 26.1 91.5 117 117 A E + 0 0 29 -47,-2.4 2,-0.3 -2,-0.9 -46,-0.2 0.572 59.4 9.1 -85.3 -18.0 21.3 25.2 93.3 118 118 A Y S S- 0 0 101 -48,-0.8 -46,-0.3 -34,-0.1 2,-0.2 -0.968 91.4 -74.9-158.6 163.9 20.5 21.9 91.6 119 119 A E - 0 0 115 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.453 54.4 -95.6 -76.1 143.1 22.0 19.5 89.1 120 120 A D - 0 0 37 -2,-0.2 -47,-0.2 1,-0.1 -1,-0.1 -0.161 43.5-101.9 -51.9 139.9 22.4 20.2 85.5 121 121 A M > - 0 0 50 -49,-2.4 3,-1.7 1,-0.1 -1,-0.1 -0.350 38.7-110.5 -63.3 144.8 19.7 18.9 83.2 122 122 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.784 109.6 51.7 -50.3 -38.5 21.0 15.8 81.4 123 123 A G T 3 S+ 0 0 48 2,-0.0 -1,-0.3 0, 0.0 -50,-0.1 0.397 75.1 127.4 -89.4 10.1 21.2 17.2 77.9 124 124 A A < - 0 0 25 -3,-1.7 -50,-0.1 -52,-0.1 -49,-0.1 -0.282 51.0-146.2 -66.1 148.1 23.3 20.4 78.6 125 125 A E S S+ 0 0 169 -51,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.809 74.6 29.8 -83.2 -37.0 26.4 20.8 76.4 126 126 A D S S- 0 0 60 1,-0.1 2,-0.1 2,-0.0 -50,-0.1 -0.663 88.9 -90.4-119.2 175.3 28.7 22.5 78.9 127 127 A S > - 0 0 51 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.396 42.3-106.7 -78.6 165.6 29.2 22.6 82.7 128 128 A F H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.879 119.6 43.2 -60.6 -48.3 27.4 25.1 84.9 129 129 A S H > S+ 0 0 15 2,-0.2 4,-2.5 36,-0.2 -1,-0.2 0.922 114.8 51.4 -68.1 -38.6 30.4 27.3 85.5 130 130 A S H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.945 110.5 46.3 -66.4 -45.0 31.4 27.1 81.9 131 131 A T H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.961 112.9 51.7 -60.6 -46.1 28.1 28.1 80.5 132 132 A F H X>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.2 4,-1.8 0.923 114.2 42.7 -56.8 -46.3 27.8 31.0 83.0 133 133 A E H <>S+ 0 0 10 -4,-2.5 5,-0.9 3,-0.2 -1,-0.2 0.902 119.8 38.8 -72.5 -36.6 31.2 32.3 82.1 134 134 A K H <5S+ 0 0 140 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.820 126.7 35.4 -83.4 -29.3 31.1 32.0 78.3 135 135 A K H <5S+ 0 0 107 -4,-2.9 -2,-0.2 -5,-0.4 -3,-0.2 0.583 134.5 5.4-101.9 -13.0 27.5 33.0 78.0 136 136 A Y T ><5S+ 0 0 7 -4,-1.8 3,-2.3 -5,-0.4 -3,-0.2 0.641 115.6 58.0-133.0 -51.7 27.0 35.6 80.7 137 137 A F T 3 -A 22 0A 77 -128,-0.3 4,-0.5 -127,-0.1 3,-0.5 -0.606 18.6-119.3 -94.0 154.5 36.7 49.3 96.1 151 151 A L H >> S+ 0 0 0 -130,-2.1 4,-1.6 -132,-0.3 3,-1.1 0.871 110.3 62.7 -60.4 -37.5 33.4 51.1 95.7 152 152 A G H 34 S+ 0 0 27 -133,-2.6 -1,-0.2 1,-0.3 -132,-0.1 0.857 106.1 43.5 -56.9 -37.1 34.9 53.4 93.0 153 153 A D H 34 S+ 0 0 88 -3,-0.5 -1,-0.3 -134,-0.3 -2,-0.2 0.474 113.3 54.0 -82.3 -14.7 35.6 50.5 90.6 154 154 A A H X< S+ 0 0 0 -3,-1.1 3,-2.5 -4,-0.5 -44,-0.3 0.731 75.3 108.3 -94.0 -31.2 32.2 48.9 91.3 155 155 A R T 3< S+ 0 0 44 -4,-1.6 -46,-0.3 1,-0.3 -47,-0.2 -0.225 88.4 18.1 -55.1 134.3 29.7 51.6 90.6 156 156 A G T 3 S+ 0 0 29 -48,-3.5 -1,-0.3 1,-0.3 2,-0.3 0.303 116.6 87.5 86.4 -8.2 27.7 51.0 87.5 157 157 A K S < S- 0 0 82 -3,-2.5 -47,-1.5 -49,-0.3 2,-0.4 -0.780 77.1-118.1-124.3 168.7 28.8 47.4 87.5 158 158 A I E -gh 110 142B 0 -17,-2.5 -15,-2.4 -2,-0.3 2,-0.5 -0.852 27.2-150.9-100.7 129.0 27.7 44.0 88.9 159 159 A V E -g 111 0B 0 -49,-3.3 -47,-3.8 -2,-0.4 2,-0.3 -0.953 13.2-136.9-107.5 123.6 30.2 42.4 91.3 160 160 A L E -g 112 0B 0 -2,-0.5 13,-3.6 -17,-0.4 2,-0.6 -0.617 14.0-166.1 -83.0 136.8 30.2 38.6 91.4 161 161 A L E -gi 113 173B 8 -49,-3.1 -47,-2.1 -2,-0.3 2,-0.4 -0.951 26.5-140.1-119.7 104.5 30.5 36.7 94.6 162 162 A K E +g 114 0B 6 11,-2.7 14,-0.4 -2,-0.6 -47,-0.1 -0.568 34.8 166.0 -74.6 124.0 31.2 33.2 93.5 163 163 A R E +g 115 0B 34 -49,-2.2 -47,-0.7 -2,-0.4 2,-0.3 -0.299 62.4 77.3-123.6 36.2 29.5 30.3 95.3 164 164 A Y S S- 0 0 11 -49,-0.2 3,-0.3 -35,-0.0 11,-0.2 -0.983 71.8-132.0-144.8 148.6 30.5 27.8 92.5 165 165 A S S S+ 0 0 92 -2,-0.3 -36,-0.2 1,-0.2 -2,-0.1 -0.600 77.8 53.4 -98.5 167.0 33.7 26.0 91.6 166 166 A G + 0 0 49 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.561 65.0 161.2 87.1 10.1 35.5 25.6 88.3 167 167 A S + 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -37,-0.1 -0.429 14.5 175.4 -65.3 130.2 35.6 29.4 87.6 168 168 A N + 0 0 142 -39,-0.1 -1,-0.2 -2,-0.1 -38,-0.0 0.479 54.7 82.9-114.1 -6.1 38.2 30.1 84.9 169 169 A E S S- 0 0 94 2,-0.1 2,-0.1 1,-0.0 -1,-0.0 -0.859 77.5-126.4-104.7 127.1 37.5 33.8 84.4 170 170 A P + 0 0 74 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.367 57.1 93.3 -68.2 143.7 39.1 36.4 86.8 171 171 A G + 0 0 0 1,-0.3 -25,-0.3 -2,-0.1 -27,-0.2 -0.416 62.5 10.7 145.3 146.5 36.8 38.9 88.5 172 172 A G S S- 0 0 0 -27,-2.3 2,-0.5 -2,-0.1 -1,-0.3 -0.249 104.7 -21.1 66.0-154.6 34.8 39.6 91.6 173 173 A Y B S-i 161 0B 0 -13,-3.6 -11,-2.7 -27,-0.1 3,-0.1 -0.810 70.5-126.8 -96.1 130.0 35.1 37.6 94.8 174 174 A N - 0 0 35 -2,-0.5 15,-0.1 -13,-0.2 -9,-0.1 -0.239 30.8 -89.4 -72.6 158.7 36.4 34.1 94.4 175 175 A N - 0 0 74 -11,-0.2 2,-0.3 13,-0.1 -12,-0.2 -0.338 49.2-174.9 -64.3 146.2 34.8 30.9 95.7 176 176 A F - 0 0 14 -14,-0.4 12,-0.1 -3,-0.1 10,-0.0 -0.974 38.0 -75.1-144.7 155.7 35.7 29.9 99.2 177 177 A Y - 0 0 163 -2,-0.3 10,-0.0 10,-0.2 0, 0.0 -0.289 47.6-177.9 -50.1 126.1 35.1 27.0 101.6 178 178 A W - 0 0 51 8,-0.0 -1,-0.1 -15,-0.0 2,-0.0 -0.809 9.8-158.9-136.2 87.2 31.5 27.4 102.8 179 179 A P > - 0 0 11 0, 0.0 3,-0.5 0, 0.0 2,-0.3 -0.271 30.1 -89.1 -65.4 155.8 30.6 24.6 105.3 180 180 A D T 3 S- 0 0 110 1,-0.2 3,-0.1 19,-0.0 19,-0.1 -0.480 89.9 -13.1 -77.6 133.8 27.0 23.7 106.0 181 181 A N T 3 S+ 0 0 44 17,-0.3 2,-0.3 -2,-0.3 18,-0.3 0.920 105.2 97.7 47.4 57.8 24.8 25.3 108.6 182 182 A E E < S-J 198 0B 84 16,-0.6 16,-2.6 -3,-0.5 2,-0.5 -0.888 73.0-109.0-155.4 179.9 27.4 27.2 110.6 183 183 A T E +J 197 0B 52 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.954 51.6 158.0-115.0 133.7 29.2 30.4 111.3 184 184 A F E -J 196 0B 19 12,-1.9 12,-2.0 -2,-0.5 2,-0.3 -0.929 33.4-139.1-148.0 177.4 32.7 30.2 110.1 185 185 A T E +J 195 0B 86 -2,-0.3 10,-0.3 10,-0.3 2,-0.2 -0.991 33.2 138.0-148.5 133.3 35.7 32.3 109.1 186 186 A T E -J 194 0B 37 8,-2.9 8,-2.4 -2,-0.3 2,-0.3 -0.783 46.7 -76.7-150.7-159.2 38.2 31.7 106.2 187 187 A T E -J 193 0B 79 6,-0.3 2,-0.3 -2,-0.2 6,-0.3 -0.907 33.3-170.5-122.4 147.4 40.0 33.6 103.5 188 188 A V - 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