==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 24-MAY-95 1PTD . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR D.W.HEINZ,M.RYAN,T.L.BULLOCK,O.H.GRIFFITH . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.7 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 . 1 0.3 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 . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 1 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 2 0 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 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 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 73 0, 0.0 3,-0.0 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0-150.7 29.5 62.8 98.6 2 2 A S + 0 0 105 1,-0.1 2,-0.3 294,-0.1 15,-0.0 0.629 360.0 83.8-142.7 -24.2 29.1 64.5 102.0 3 3 A S > - 0 0 41 1,-0.1 3,-0.7 3,-0.0 -1,-0.1 -0.702 59.3-141.6 -91.9 153.9 25.7 64.7 103.7 4 4 A V G > S+ 0 0 69 -2,-0.3 3,-1.7 1,-0.2 4,-0.3 0.712 94.6 78.5 -82.0 -20.5 24.1 62.1 105.8 5 5 A N G > S+ 0 0 115 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.803 80.0 74.1 -61.9 -17.2 20.7 62.8 104.2 6 6 A E G < S+ 0 0 38 -3,-0.7 9,-0.4 1,-0.3 -1,-0.3 0.316 83.3 61.4 -78.3 -0.9 21.9 60.8 101.3 7 7 A L G < S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.1 6,-0.2 0.420 90.8 71.2 -98.7 -11.3 21.6 57.3 102.9 8 8 A E S < S+ 0 0 82 -3,-1.4 2,-0.9 -4,-0.3 -2,-0.2 0.467 79.7 83.5 -80.6 -7.5 17.9 57.9 103.3 9 9 A N >> - 0 0 74 1,-0.2 4,-1.6 -3,-0.1 3,-0.7 -0.880 63.7-169.4 -98.9 100.5 17.5 57.5 99.5 10 10 A W G >4 S+ 0 0 41 -2,-0.9 3,-1.0 1,-0.2 4,-0.2 0.974 82.7 57.7 -58.7 -46.7 17.3 53.8 99.1 11 11 A S G 34 S+ 0 0 29 49,-0.4 -1,-0.2 1,-0.3 97,-0.2 0.760 126.4 18.2 -57.1 -24.8 17.6 54.0 95.3 12 12 A K G X4 S+ 0 0 47 -3,-0.7 3,-2.6 48,-0.1 -1,-0.3 0.287 76.2 135.0-133.1 17.1 21.0 55.8 95.7 13 13 A W T << S+ 0 0 0 -4,-1.6 4,-0.4 -3,-1.0 -2,-0.1 0.666 70.6 61.7 -40.7 -32.2 22.3 55.2 99.2 14 14 A M T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -4,-0.2 -7,-0.1 0.361 81.0 86.9 -82.1 10.2 25.9 54.4 98.1 15 15 A Q S < S+ 0 0 86 -3,-2.6 -1,-0.2 -9,-0.4 -2,-0.1 0.896 87.4 47.5 -76.6 -41.7 26.3 57.9 96.5 16 16 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.798 91.2 100.1 -70.8 -19.6 27.5 59.6 99.7 17 17 A I S S- 0 0 0 -4,-0.4 2,-0.2 1,-0.1 279,-0.1 -0.222 85.0-100.0 -68.3 141.4 30.0 56.9 100.5 18 18 A P > - 0 0 42 0, 0.0 3,-2.3 0, 0.0 133,-0.3 -0.496 20.7-126.6 -68.5 140.1 33.6 57.6 99.6 19 19 A D T 3 S+ 0 0 101 1,-0.3 133,-1.9 -2,-0.2 134,-0.3 0.614 105.7 58.7 -51.0 -23.7 35.0 56.0 96.4 20 20 A S T 3 S+ 0 0 72 131,-0.2 -1,-0.3 130,-0.1 -3,-0.0 0.456 75.4 111.8 -93.1 1.3 38.0 54.5 98.4 21 21 A I < - 0 0 29 -3,-2.3 130,-1.9 129,-0.1 131,-0.1 -0.629 69.6-124.2 -82.6 124.6 36.0 52.4 100.8 22 22 A P B > -A 150 0A 7 0, 0.0 4,-1.0 0, 0.0 3,-0.4 -0.271 20.6-121.0 -61.0 147.5 36.4 48.7 100.3 23 23 A L T 4 S+ 0 0 0 126,-3.1 127,-0.1 1,-0.2 5,-0.1 0.739 110.5 70.2 -65.0 -21.2 33.0 47.0 99.9 24 24 A A T 4 S+ 0 0 0 125,-0.3 205,-0.3 1,-0.2 -1,-0.2 0.929 98.1 46.8 -59.3 -50.2 34.0 45.0 102.9 25 25 A R T 4 S+ 0 0 3 -3,-0.4 244,-0.3 200,-0.2 -1,-0.2 0.780 93.0 93.4 -63.8 -31.9 33.7 48.0 105.2 26 26 A I S < S- 0 0 0 -4,-1.0 2,-0.6 199,-0.1 263,-0.1 -0.186 76.8-128.7 -64.5 156.4 30.3 49.1 103.9 27 27 A S - 0 0 0 262,-0.2 243,-0.2 261,-0.1 265,-0.1 -0.979 35.3-172.6-107.2 121.4 27.2 47.8 105.7 28 28 A I E -b 270 0B 0 241,-0.6 243,-1.3 -2,-0.6 2,-0.1 -0.931 25.4-136.3-126.1 124.1 24.9 46.4 103.0 29 29 A P E +b 271 0B 0 0, 0.0 35,-2.6 0, 0.0 36,-0.5 -0.527 33.6 177.7 -71.0 154.1 21.4 45.0 103.0 30 30 A G E -bc 272 65B 0 241,-1.5 243,-1.4 33,-0.2 2,-0.4 -0.886 23.2-123.7-146.1 164.0 21.2 41.8 101.0 31 31 A T E > -bc 273 66B 0 34,-1.5 36,-1.1 -2,-0.3 3,-0.6 -0.969 14.8-134.8-122.1 135.7 18.4 39.3 100.2 32 32 A H T 3 S- 0 0 18 241,-2.8 243,-0.2 -2,-0.4 18,-0.0 -0.766 88.7 -4.7 -86.0 135.4 18.3 35.6 100.9 33 33 A D T > S- 0 0 12 -2,-0.4 3,-1.4 1,-0.1 17,-0.3 0.969 82.5-172.4 44.5 56.7 17.0 33.3 98.1 34 34 A S G X + 0 0 0 33,-1.2 3,-0.6 -3,-0.6 34,-0.1 0.808 68.4 57.6 -50.0 -38.5 16.2 36.5 96.1 35 35 A G G > S+ 0 0 4 32,-0.6 3,-0.5 1,-0.2 -1,-0.3 0.228 74.4 94.1 -86.3 19.9 14.3 34.9 93.2 36 36 A T G X + 0 0 1 -3,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.374 52.2 105.4 -91.8 8.9 11.6 33.1 95.1 37 37 A F G < S+ 0 0 32 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.528 73.5 54.6 -65.9 -11.6 9.1 35.9 94.7 38 38 A K G < S+ 0 0 83 -3,-0.5 2,-0.7 15,-0.1 -1,-0.2 0.483 76.6 111.0-100.7 -6.0 7.0 34.2 92.0 39 39 A L < + 0 0 2 -3,-1.3 48,-0.1 1,-0.2 -3,-0.0 -0.611 25.4 145.7 -69.8 108.8 6.2 31.0 94.0 40 40 A Q + 0 0 144 -2,-0.7 -1,-0.2 4,-0.0 3,-0.1 0.295 29.1 115.3-126.8 2.1 2.6 31.2 94.8 41 41 A N S >> S- 0 0 81 1,-0.1 3,-1.8 -3,-0.1 4,-1.7 -0.706 74.0-128.9 -75.0 100.3 1.8 27.5 94.7 42 42 A P H 3> S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.636 99.7 40.1 -17.4 -72.4 0.8 27.3 98.5 43 43 A I H 3> S+ 0 0 117 1,-0.2 4,-0.7 2,-0.2 5,-0.3 0.851 115.5 54.5 -61.3 -27.8 2.9 24.3 99.8 44 44 A K H X>>S+ 0 0 56 -3,-1.8 4,-3.1 1,-0.2 3,-1.3 0.970 107.1 54.2 -64.5 -46.2 5.7 25.6 97.6 45 45 A Q H 3<5S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.812 102.5 52.5 -51.1 -50.6 5.3 28.9 99.4 46 46 A V H 3<5S+ 0 0 40 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.614 126.6 25.1 -64.2 -19.0 5.6 27.6 103.0 47 47 A W H <<5S+ 0 0 133 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.2 0.765 132.9 27.9-108.1 -66.4 8.9 25.9 102.1 48 48 A G T <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.956 90.6 100.6 -66.8 -52.0 10.5 27.7 99.2 49 49 A M < + 0 0 18 -5,-0.7 197,-0.1 1,-0.2 -12,-0.1 -0.062 26.8 150.3 -50.3 113.2 9.2 31.3 99.5 50 50 A T + 0 0 4 -17,-0.3 225,-2.5 1,-0.1 2,-0.3 0.417 65.6 32.9-120.8 0.2 11.6 33.8 101.0 51 51 A Q - 0 0 0 223,-0.2 -1,-0.1 224,-0.2 226,-0.1 -0.942 51.6-162.7-147.8 162.9 10.7 37.1 99.4 52 52 A E + 0 0 50 224,-0.4 2,-0.3 -2,-0.3 225,-0.1 0.447 69.7 56.4-129.9 -2.5 7.5 38.6 98.1 53 53 A Y S S- 0 0 93 223,-0.2 -16,-0.2 1,-0.1 223,-0.1 -0.884 85.5 -89.6-127.4 162.5 8.5 41.4 95.8 54 54 A D >> - 0 0 73 -2,-0.3 4,-3.0 1,-0.1 3,-0.5 -0.145 39.7 -97.2 -76.2 164.7 10.7 41.6 92.7 55 55 A F H 3> S+ 0 0 2 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.702 124.5 49.7 -48.9 -24.9 14.4 42.2 92.2 56 56 A R H 3> S+ 0 0 57 2,-0.2 4,-2.9 3,-0.2 -1,-0.3 0.881 108.0 48.7 -86.9 -41.5 13.6 45.8 91.5 57 57 A Y H <4 S+ 0 0 46 -3,-0.5 4,-0.3 1,-0.2 -2,-0.2 0.962 113.6 52.8 -57.9 -41.7 11.4 46.5 94.5 58 58 A Q H <>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.3 3,-0.4 0.815 111.7 43.7 -60.2 -41.8 14.3 44.8 96.4 59 59 A M H ><5S+ 0 0 0 -4,-1.0 3,-1.5 -5,-0.3 -1,-0.3 0.814 107.5 56.3 -75.0 -36.0 16.8 47.1 94.9 60 60 A D T 3<5S+ 0 0 45 -4,-2.9 -49,-0.4 1,-0.3 -1,-0.2 0.472 102.9 61.7 -75.9 4.0 14.8 50.2 95.4 61 61 A H T 3 5S- 0 0 15 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.083 127.2 -95.5-110.4 18.2 14.8 49.1 99.1 62 62 A G T < 5S+ 0 0 0 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.342 73.8 147.6 87.7 -6.4 18.5 49.4 99.4 63 63 A A < + 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -33,-0.2 -0.452 11.0 164.4 -67.0 130.9 19.4 45.7 98.8 64 64 A R + 0 0 0 -35,-2.6 47,-2.3 -2,-0.2 2,-0.4 0.228 57.4 65.7-126.7 8.1 22.7 45.5 97.0 65 65 A I E -cd 30 111B 6 -36,-0.5 -34,-1.5 45,-0.2 2,-0.4 -0.995 64.1-163.7-134.6 131.9 23.6 41.8 97.5 66 66 A F E -cd 31 112B 0 45,-2.2 47,-2.6 -2,-0.4 2,-1.0 -0.984 17.1-142.9-126.8 128.1 21.5 39.0 95.9 67 67 A D E - d 0 113B 6 -36,-1.1 -33,-1.2 -2,-0.4 -32,-0.6 -0.844 30.5-175.8 -89.8 99.3 21.5 35.4 96.8 68 68 A I E - d 0 114B 1 45,-2.3 47,-1.7 -2,-1.0 2,-0.5 -0.899 9.2-172.8-105.8 128.2 21.2 33.8 93.4 69 69 A R E - d 0 115B 29 -2,-0.5 12,-1.9 45,-0.2 2,-0.2 -0.964 14.4-177.6-122.9 122.4 20.8 30.0 93.0 70 70 A G E -Ed 80 116B 0 45,-2.6 47,-2.1 -2,-0.5 48,-1.0 -0.581 22.6-160.5-123.0 174.7 20.9 28.4 89.6 71 71 A R E -E 79 0B 24 8,-1.4 8,-2.6 -2,-0.2 2,-0.5 -0.968 25.0-125.7-148.7 138.3 20.7 25.3 87.6 72 72 A L E -E 78 0B 0 -2,-0.3 49,-2.6 46,-0.3 6,-0.2 -0.758 32.4-162.4 -87.5 122.4 21.9 24.6 84.1 73 73 A T > - 0 0 11 4,-2.9 3,-0.9 -2,-0.5 -1,-0.0 -0.214 35.5 -97.0 -94.9-174.5 19.1 23.2 81.8 74 74 A D T 3 S+ 0 0 80 1,-0.2 51,-0.2 2,-0.1 -1,-0.1 0.872 120.6 66.8 -66.5 -43.6 19.0 21.4 78.4 75 75 A D T 3 S- 0 0 133 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.401 116.6-117.8 -60.8 3.2 18.5 24.7 76.7 76 76 A N S < S+ 0 0 33 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.809 77.1 113.0 60.0 40.4 22.0 25.4 77.9 77 77 A T - 0 0 43 -6,-0.1 -4,-2.9 14,-0.0 2,-0.4 -0.914 68.4-112.9-132.6 161.0 21.0 28.4 80.0 78 78 A I E -E 72 0B 1 -2,-0.3 13,-1.8 -6,-0.2 14,-0.5 -0.793 34.6-176.6 -99.0 130.6 21.0 28.9 83.8 79 79 A V E -EF 71 90B 9 -8,-2.6 -8,-1.4 -2,-0.4 2,-0.6 -0.673 32.2 -94.6-116.6 174.0 17.7 29.3 85.6 80 80 A L E -E 70 0B 2 9,-2.5 7,-2.5 7,-0.2 9,-0.4 -0.851 43.7-178.2-101.4 124.9 16.7 30.0 89.2 81 81 A H E - F 0 86B 9 -12,-1.9 2,-0.5 -2,-0.6 5,-0.2 -0.797 28.0-153.7-116.4 152.5 16.0 27.0 91.4 82 82 A H E > S- F 0 85B 42 3,-3.4 3,-1.6 -2,-0.3 -34,-0.1 -0.840 77.1 -59.7-119.7 87.7 15.0 26.6 95.0 83 83 A G T 3 S- 0 0 18 -2,-0.5 34,-0.0 1,-0.3 -2,-0.0 -0.565 119.3 -17.0 75.4-120.1 16.5 23.2 95.7 84 84 A P T 3 S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.666 121.9 87.4 -96.5 -13.1 14.9 20.8 93.2 85 85 A L E < S-F 82 0B 51 -3,-1.6 -3,-3.4 -41,-0.0 2,-0.4 -0.708 76.3-122.5 -93.7 137.7 12.0 23.1 92.3 86 86 A Y E -F 81 0B 87 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.609 12.9-150.2 -79.7 122.6 12.0 25.7 89.6 87 87 A L E - 0 0 8 -7,-2.5 2,-1.3 -2,-0.4 -7,-0.2 -0.480 33.5-113.0 -78.7 162.1 11.3 29.3 90.4 88 88 A Y E S+ 0 0 127 -53,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.286 88.3 89.3 -97.1 64.1 9.8 30.9 87.4 89 89 A V E - 0 0 0 -2,-1.3 -9,-2.5 -9,-0.4 2,-0.3 -0.990 58.9-151.2-149.1 155.8 12.8 33.2 86.9 90 90 A T E > -F 79 0B 41 -2,-0.3 4,-1.3 -11,-0.3 -11,-0.2 -0.767 31.2-108.3-129.0 169.5 16.0 32.9 85.0 91 91 A L H > S+ 0 0 0 -13,-1.8 4,-2.5 -2,-0.3 3,-0.5 0.916 119.1 54.5 -64.5 -45.8 19.5 34.2 85.3 92 92 A H H > S+ 0 0 88 -14,-0.5 4,-1.8 1,-0.3 5,-0.3 0.950 105.1 55.8 -54.4 -45.2 19.1 36.5 82.3 93 93 A E H > S+ 0 0 61 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.858 109.5 45.6 -56.7 -35.3 16.0 37.9 84.1 94 94 A F H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.5 3,-0.3 0.995 111.3 51.8 -70.6 -57.5 18.2 38.8 87.1 95 95 A I H X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.682 108.5 49.4 -50.0 -31.2 21.0 40.4 85.1 96 96 A N H X S+ 0 0 69 -4,-1.8 4,-2.7 -5,-0.2 3,-0.5 0.928 109.5 50.6 -77.7 -46.3 18.8 42.7 83.1 97 97 A E H X S+ 0 0 68 -4,-1.3 4,-2.4 -3,-0.3 5,-0.2 0.902 110.3 51.0 -57.1 -40.0 17.0 44.1 86.2 98 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.832 112.4 49.4 -64.9 -30.1 20.4 44.7 87.8 99 99 A K H X S+ 0 0 56 -4,-0.7 4,-0.7 -3,-0.5 -2,-0.2 0.865 112.6 42.2 -77.3 -44.9 21.3 46.5 84.6 100 100 A Q H X S+ 0 0 108 -4,-2.7 4,-1.7 2,-0.2 3,-0.5 0.890 117.1 50.2 -70.0 -37.3 18.3 48.8 84.3 101 101 A F H >X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 3,-1.1 0.998 112.8 45.1 -58.7 -60.3 18.5 49.4 88.0 102 102 A L H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.591 111.0 55.4 -58.7 -13.1 22.2 50.2 87.8 103 103 A K H 3< S+ 0 0 151 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.770 108.5 46.1 -88.3 -33.1 21.5 52.4 84.7 104 104 A D H << S+ 0 0 80 -4,-1.7 -2,-0.2 -3,-1.1 -3,-0.1 0.683 129.0 28.4 -78.0 -22.7 19.0 54.5 86.5 105 105 A N >< + 0 0 13 -4,-1.4 3,-2.1 -5,-0.2 -1,-0.2 -0.518 66.0 170.4-143.2 68.7 21.3 54.8 89.4 106 106 A P T 3 S+ 0 0 80 0, 0.0 51,-0.1 0, 0.0 -4,-0.1 0.399 72.0 74.6 -58.2 -9.5 25.0 54.5 88.3 107 107 A S T 3 S+ 0 0 12 48,-0.1 -95,-0.1 49,-0.1 -5,-0.1 0.810 91.0 69.8 -74.7 -27.6 26.1 55.5 91.7 108 108 A E < - 0 0 0 -3,-2.1 48,-1.8 -97,-0.2 2,-0.3 0.008 63.3-159.7 -82.2-175.4 25.2 52.1 93.0 109 109 A T - 0 0 0 46,-0.2 2,-0.4 47,-0.1 49,-0.2 -0.959 8.8-140.5-157.2 155.3 26.6 48.6 92.6 110 110 A I E - g 0 158B 0 47,-1.4 49,-3.4 -2,-0.3 2,-0.5 -0.985 1.3-150.0-132.1 146.6 25.3 45.2 93.0 111 111 A I E -dg 65 159B 0 -47,-2.3 -45,-2.2 -2,-0.4 2,-0.5 -0.967 13.0-165.6-111.2 123.3 26.8 42.0 94.4 112 112 A M E -dg 66 160B 0 47,-2.7 49,-3.0 -2,-0.5 2,-0.5 -0.963 4.7-160.2-115.4 127.5 25.5 38.8 93.0 113 113 A S E -dg 67 161B 9 -47,-2.6 -45,-2.3 -2,-0.5 2,-0.5 -0.933 13.1-164.2-103.2 129.6 26.3 35.6 94.8 114 114 A L E +dg 68 162B 0 47,-1.8 49,-2.1 -2,-0.5 2,-0.3 -0.968 12.5 171.8-121.4 133.8 25.9 32.7 92.5 115 115 A K E -dg 69 163B 54 -47,-1.7 -45,-2.6 -2,-0.5 2,-1.0 -0.982 38.8-116.8-135.9 143.8 25.6 29.1 93.7 116 116 A K E -d 70 0B 77 47,-0.8 -45,-0.2 -2,-0.3 -47,-0.1 -0.748 34.5-176.1 -82.6 109.2 24.8 26.0 91.8 117 117 A E + 0 0 33 -47,-2.1 2,-0.3 -2,-1.0 -46,-0.2 0.745 57.2 8.6 -79.7 -30.3 21.6 25.0 93.6 118 118 A Y S S- 0 0 104 -48,-1.0 -46,-0.3 -34,-0.1 2,-0.2 -0.881 90.8 -71.7-144.2 176.3 20.8 21.7 92.0 119 119 A E - 0 0 133 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.471 56.9 -94.5 -78.5 147.9 22.2 19.1 89.6 120 120 A D - 0 0 48 -2,-0.2 -47,-0.2 1,-0.1 -1,-0.1 -0.229 42.0-103.7 -61.5 138.2 22.6 19.9 85.9 121 121 A M > - 0 0 45 -49,-2.6 3,-1.9 1,-0.1 -1,-0.1 -0.372 39.1-109.8 -62.2 141.2 19.9 18.7 83.6 122 122 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.831 110.4 47.8 -43.2 -50.2 21.0 15.6 81.7 123 123 A G T 3 S+ 0 0 48 2,-0.0 -1,-0.3 0, 0.0 -50,-0.1 0.300 75.7 136.2 -84.6 15.4 21.5 17.0 78.2 124 124 A A < - 0 0 25 -3,-1.9 -50,-0.1 -52,-0.2 -49,-0.1 -0.301 47.3-148.1 -60.4 145.4 23.4 20.1 79.2 125 125 A E S S+ 0 0 157 -51,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.916 72.1 23.3 -83.3 -44.0 26.3 20.6 76.8 126 126 A D S S- 0 0 53 1,-0.1 -50,-0.1 2,-0.0 -54,-0.0 -0.569 89.3 -85.5-118.1 177.6 28.9 22.2 79.2 127 127 A S > - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.339 44.4-105.0 -78.0 170.1 29.6 22.3 82.9 128 128 A F H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 119.0 43.2 -60.1 -47.7 27.9 24.9 85.3 129 129 A S H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.991 114.5 47.7 -65.6 -54.7 30.9 27.1 85.6 130 130 A S H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.878 113.1 50.7 -57.2 -38.4 32.0 27.0 81.9 131 131 A T H >X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 3,-0.7 0.981 111.7 45.0 -63.2 -54.1 28.4 27.8 80.9 132 132 A F H 3X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.3 4,-1.0 0.816 118.0 45.8 -56.8 -38.4 28.0 30.8 83.3 133 133 A E H 3<5S+ 0 0 12 -4,-2.5 -1,-0.3 3,-0.2 -2,-0.2 0.711 117.0 40.2 -77.5 -27.5 31.4 32.1 82.3 134 134 A K H <<5S+ 0 0 136 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.2 0.885 126.8 31.8 -89.6 -36.3 31.2 31.7 78.5 135 135 A K H <5S+ 0 0 119 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.480 136.8 7.4 -97.5 -12.4 27.6 32.8 78.1 136 136 A Y T ><5S+ 0 0 6 -4,-1.0 3,-2.9 -5,-0.3 -3,-0.2 0.547 116.8 55.3-134.4 -62.3 27.1 35.4 80.9 137 137 A F T 3 -A 22 0A 101 -2,-0.4 4,-0.6 -128,-0.3 3,-0.3 -0.428 24.6-116.8 -79.2 160.4 37.0 49.2 96.5 151 151 A L H > S+ 0 0 0 -130,-1.9 4,-1.0 -133,-0.3 3,-0.4 0.726 108.1 64.3 -70.3 -30.5 33.7 51.0 95.8 152 152 A G H 4 S+ 0 0 29 -133,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.921 100.2 53.5 -59.2 -44.0 35.1 53.2 93.0 153 153 A D H 4 S+ 0 0 77 -3,-0.3 -1,-0.2 -134,-0.3 -2,-0.2 0.721 111.1 45.1 -61.6 -29.6 35.8 50.2 90.9 154 154 A A H >< S+ 0 0 0 -4,-0.6 3,-2.5 -3,-0.4 -44,-0.3 0.607 71.5 116.9 -98.0 -14.9 32.3 48.8 91.1 155 155 A R T 3< S+ 0 0 52 -4,-1.0 -46,-0.2 -3,-0.5 -47,-0.1 -0.370 92.5 16.3 -57.4 124.8 29.9 51.7 90.5 156 156 A G T 3 S+ 0 0 31 -48,-1.8 -1,-0.3 1,-0.4 2,-0.1 0.027 117.5 89.8 99.6 -24.5 28.0 50.7 87.3 157 157 A K S < S- 0 0 84 -3,-2.5 -47,-1.4 -49,-0.2 2,-0.5 -0.413 74.9-120.3-105.0 173.3 29.2 47.1 87.6 158 158 A I E -gh 110 142B 0 -17,-3.0 -15,-2.9 -49,-0.2 2,-0.5 -0.951 26.1-148.1-112.1 124.1 28.0 43.8 89.1 159 159 A V E -g 111 0B 0 -49,-3.4 -47,-2.7 -2,-0.5 2,-0.4 -0.899 14.1-138.9 -98.8 132.7 30.4 42.4 91.5 160 160 A L E -g 112 0B 0 -2,-0.5 13,-3.3 -17,-0.4 2,-0.7 -0.797 13.6-164.5 -98.4 129.0 30.4 38.6 91.6 161 161 A L E -gi 113 173B 7 -49,-3.0 -47,-1.8 -2,-0.4 2,-0.8 -0.921 27.5-138.1-107.6 105.5 30.7 36.5 94.9 162 162 A K E +g 114 0B 6 11,-1.9 14,-0.4 -2,-0.7 -47,-0.1 -0.528 34.9 166.6 -75.8 110.6 31.6 33.0 93.6 163 163 A R E +g 115 0B 33 -49,-2.1 -47,-0.8 -2,-0.8 2,-0.3 -0.182 61.2 77.9-110.8 39.1 29.7 30.1 95.3 164 164 A Y S S- 0 0 1 -49,-0.2 11,-0.2 1,-0.1 3,-0.1 -0.973 71.2-139.8-141.1 148.7 30.8 27.6 92.6 165 165 A S S S+ 0 0 83 -2,-0.3 2,-2.1 1,-0.2 10,-0.2 0.980 76.5 61.5 -80.3 -70.0 34.2 25.9 92.3 166 166 A G + 0 0 40 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.453 66.7 154.9 -67.4 83.0 35.8 25.4 88.8 167 167 A S + 0 0 30 -2,-2.1 -37,-0.1 -3,-0.1 -38,-0.0 -0.778 21.9 173.4-112.4 146.0 36.1 29.0 87.7 168 168 A N + 0 0 146 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.538 57.1 80.6-126.2 -16.7 38.6 30.2 85.1 169 169 A E S S- 0 0 104 2,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.826 78.1-125.9 -96.9 127.1 37.8 33.8 84.5 170 170 A P + 0 0 68 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.473 54.1 103.9 -73.1 135.6 39.1 36.3 87.1 171 171 A G + 0 0 0 1,-0.2 -25,-0.2 -2,-0.2 -27,-0.2 -0.504 60.5 3.8 155.8 138.0 36.8 38.7 88.9 172 172 A G S S- 0 0 0 -27,-3.2 2,-0.4 -2,-0.2 -25,-0.3 -0.442 105.9 -12.1 73.8-149.4 34.9 39.5 92.0 173 173 A Y B -i 161 0B 0 -13,-3.3 -11,-1.9 -27,-0.1 3,-0.1 -0.733 68.4-121.8 -96.1 129.7 35.4 37.3 95.0 174 174 A N - 0 0 56 -2,-0.4 -1,-0.1 -13,-0.1 -9,-0.1 -0.299 37.5 -97.0 -65.2 144.5 37.1 34.0 94.9 175 175 A N - 0 0 70 -11,-0.2 2,-0.3 -10,-0.2 -12,-0.1 -0.298 48.1-169.6 -61.9 145.5 35.2 30.9 96.0 176 176 A F - 0 0 16 -14,-0.4 12,-0.1 -3,-0.1 13,-0.0 -0.959 33.8 -83.8-140.3 162.5 35.9 29.9 99.6 177 177 A Y + 0 0 168 -2,-0.3 -2,-0.0 10,-0.2 11,-0.0 0.666 44.9 175.8 -31.2 -59.6 35.1 27.0 102.0 178 178 A W - 0 0 36 1,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.861 20.5-150.0 42.3 68.6 31.7 27.7 103.3 179 179 A P > - 0 0 9 0, 0.0 3,-0.8 0, 0.0 2,-0.2 -0.214 30.6 -81.0 -63.8 156.9 30.9 24.7 105.6 180 180 A D T 3 S- 0 0 122 1,-0.2 3,-0.1 19,-0.0 19,-0.1 -0.388 95.5 -18.2 -69.9 128.3 27.3 23.5 106.0 181 181 A N T 3 S+ 0 0 42 -2,-0.2 -1,-0.2 17,-0.2 18,-0.2 0.837 106.6 96.0 51.3 45.8 25.0 25.2 108.5 182 182 A E S < S- 0 0 87 -3,-0.8 16,-3.1 16,-0.4 2,-0.4 -0.509 74.6-101.5-140.5-161.3 27.5 27.0 110.7 183 183 A T E +J 197 0B 56 14,-0.3 2,-0.3 -2,-0.2 14,-0.2 -0.969 53.4 156.9-126.3 129.8 29.4 30.2 111.5 184 184 A F E -J 196 0B 18 12,-2.1 12,-2.3 -2,-0.4 2,-0.3 -0.845 32.1-142.2-143.8 175.6 32.9 30.0 110.2 185 185 A T E +J 195 0B 86 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.970 27.5 153.7-146.8 134.7 35.8 32.2 109.2 186 186 A T E -J 194 0B 36 8,-2.1 8,-2.7 -2,-0.3 2,-0.3 -0.877 44.0 -90.2-145.2-174.2 38.4 31.7 106.2 187 187 A T E -J 193 0B 85 -2,-0.3 6,-0.3 6,-0.2 -10,-0.2 -0.756 30.5-173.9-105.9 144.9 40.6 33.6 103.9 188 188 A V - 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