==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-08 3DT6 . COMPND 2 MOLECULE: BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.M.EPSTEIN,U.SAMANTA,B.J.BAHNSON . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 1 1 0 0 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 5 A E 0 0 149 0, 0.0 5,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-136.9 33.7 -20.5 19.9 2 6 A N > - 0 0 30 1,-0.2 3,-1.4 3,-0.1 4,-0.3 -0.580 360.0-158.2 -72.4 112.2 36.9 -19.5 21.6 3 7 A P G > S+ 0 0 52 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.801 91.1 63.7 -63.9 -24.6 37.7 -15.9 20.6 4 8 A A G 3 S+ 0 0 0 1,-0.2 -2,-0.1 69,-0.1 71,-0.0 0.719 110.2 37.4 -68.5 -23.4 41.4 -16.5 21.5 5 9 A S G < S+ 0 0 39 -3,-1.4 -1,-0.2 2,-0.1 -3,-0.1 0.223 90.0 100.0-115.2 12.7 41.7 -19.2 18.8 6 10 A K S < S- 0 0 150 -3,-0.7 72,-0.1 -4,-0.3 71,-0.1 -0.875 80.2-123.8 -97.9 108.0 39.5 -17.5 16.1 7 11 A P + 0 0 50 0, 0.0 68,-0.2 0, 0.0 67,-0.1 -0.226 46.2 155.6 -57.8 128.3 42.0 -15.9 13.7 8 12 A T - 0 0 60 66,-1.6 70,-0.3 -5,-0.0 71,-0.2 -0.965 36.9-126.3-154.4 139.7 41.4 -12.1 13.4 9 13 A P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 67,-0.1 -0.362 42.5 -91.2 -79.9 168.2 43.5 -9.1 12.4 10 14 A V - 0 0 49 65,-0.1 2,-0.2 -2,-0.1 10,-0.1 -0.689 42.8-129.3 -78.6 121.3 43.7 -6.0 14.7 11 15 A Q - 0 0 78 -2,-0.6 2,-1.0 1,-0.1 3,-0.0 -0.514 17.9-124.4 -70.8 132.5 41.0 -3.6 13.6 12 16 A D + 0 0 80 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.709 44.6 156.2 -82.3 104.8 42.3 -0.1 13.0 13 17 A V S S+ 0 0 133 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.0 0.215 71.6 55.1-108.6 10.9 40.3 2.3 15.2 14 18 A Q S S- 0 0 137 -3,-0.0 -2,-0.1 0, 0.0 -1,-0.1 0.744 99.7-126.8-108.0 -44.9 43.0 5.0 15.3 15 19 A G S S+ 0 0 62 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.297 81.6 93.7 121.6 -12.5 43.7 5.6 11.6 16 20 A D S S- 0 0 103 1,-0.0 -4,-0.0 0, 0.0 -3,-0.0 0.561 75.5-139.1 -91.0 -7.1 47.4 5.3 10.8 17 21 A G > + 0 0 22 1,-0.1 4,-1.8 3,-0.1 5,-0.1 0.727 49.1 147.3 60.3 28.3 47.2 1.6 9.8 18 22 A R H > + 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.810 63.0 58.1 -70.3 -30.1 50.4 0.6 11.5 19 23 A W H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 110.1 42.1 -61.2 -52.1 49.4 -2.9 12.4 20 24 A M H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.835 111.2 58.4 -64.9 -32.1 48.7 -3.9 8.9 21 25 A S H X S+ 0 0 76 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.922 108.0 45.4 -61.3 -46.3 51.9 -2.1 7.8 22 26 A L H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 111.5 52.5 -60.8 -48.0 54.0 -4.3 10.2 23 27 A H H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 110.0 48.8 -52.4 -49.0 52.2 -7.4 9.0 24 28 A H H X S+ 0 0 113 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.839 108.6 53.2 -62.4 -36.0 53.0 -6.5 5.4 25 29 A R H X S+ 0 0 143 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 110.0 47.7 -62.2 -46.1 56.6 -5.9 6.2 26 30 A F H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.911 108.8 53.6 -63.1 -46.9 56.9 -9.3 7.8 27 31 A V H X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.949 110.8 47.6 -49.3 -51.5 55.2 -11.0 4.8 28 32 A A H X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.868 109.5 54.1 -59.6 -38.3 57.8 -9.3 2.6 29 33 A D H X S+ 0 0 57 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.1 45.4 -60.9 -48.5 60.6 -10.5 5.0 30 34 A S H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.4 52.7 -61.5 -40.7 59.4 -14.1 4.7 31 35 A K H < S+ 0 0 153 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.835 120.0 32.7 -62.1 -35.2 59.1 -13.7 0.9 32 36 A D H < S+ 0 0 93 -4,-1.8 -2,-0.2 -5,-0.2 2,-0.2 0.589 114.2 58.1-101.4 -17.3 62.7 -12.4 0.6 33 37 A K < - 0 0 36 -4,-2.1 31,-0.0 -5,-0.2 0, 0.0 -0.613 60.4-144.1-114.9 173.4 64.6 -14.2 3.4 34 38 A E - 0 0 179 -2,-0.2 54,-0.1 54,-0.1 -4,-0.1 -0.592 29.8-176.2-132.9 72.7 65.4 -17.7 4.5 35 39 A P - 0 0 9 0, 0.0 54,-0.4 0, 0.0 28,-0.2 -0.281 25.1-157.3 -69.7 154.9 65.4 -17.7 8.3 36 40 A E S S+ 0 0 88 26,-3.5 55,-2.0 25,-0.3 56,-1.8 0.618 86.7 33.0 -96.8 -20.4 66.3 -20.7 10.4 37 41 A V E -ab 63 92A 0 25,-1.8 27,-1.7 53,-0.2 2,-0.5 -0.999 67.8-162.5-136.4 135.2 64.3 -19.3 13.3 38 42 A V E -ab 64 93A 0 54,-2.2 56,-3.0 -2,-0.4 2,-0.5 -0.973 5.4-159.6-120.9 127.0 61.2 -17.2 13.4 39 43 A F E +ab 65 94A 1 25,-3.4 27,-3.9 -2,-0.5 2,-0.3 -0.908 18.8 167.9-102.5 129.1 60.2 -15.3 16.5 40 44 A I E +ab 66 95A 0 54,-2.6 56,-1.8 -2,-0.5 2,-0.3 -0.999 23.0 83.8-143.3 140.8 56.5 -14.2 16.7 41 45 A G E S-ab 67 96A 0 25,-0.7 27,-2.2 -2,-0.3 56,-0.3 -0.975 70.4 -44.4 165.7-154.3 54.5 -12.8 19.6 42 46 A D S >> S- 0 0 1 54,-2.2 4,-2.3 -2,-0.3 3,-1.1 0.062 83.8 -56.5 -91.8-156.8 53.7 -9.6 21.4 43 47 A S H 3> S+ 0 0 10 25,-0.3 4,-3.5 1,-0.2 5,-0.3 0.745 128.9 68.9 -61.0 -23.5 55.9 -6.7 22.5 44 48 A L H 34 S+ 0 0 10 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.900 110.7 34.9 -60.2 -38.4 58.1 -9.1 24.6 45 49 A V H X> S+ 0 0 2 -3,-1.1 4,-1.0 51,-0.4 3,-0.8 0.937 119.0 51.4 -74.8 -52.2 59.2 -10.5 21.2 46 50 A Q H >X S+ 0 0 51 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.891 111.0 45.6 -50.7 -50.6 59.1 -7.2 19.3 47 51 A L H 3X S+ 0 0 50 -4,-3.5 4,-1.2 1,-0.2 -1,-0.2 0.616 98.9 71.5 -77.4 -14.4 61.3 -5.2 21.9 48 52 A M H <4 S+ 0 0 1 -3,-0.8 6,-0.5 -4,-0.3 -1,-0.2 0.883 97.8 51.1 -63.6 -37.7 63.8 -8.1 22.1 49 53 A H H << S+ 0 0 92 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.753 106.2 54.7 -65.8 -30.9 64.8 -7.1 18.5 50 54 A Q H < S+ 0 0 147 -4,-0.6 -1,-0.2 4,-0.1 -2,-0.2 0.739 94.1 84.2 -78.2 -27.4 65.2 -3.5 19.7 51 55 A S S >< S- 0 0 27 -4,-1.2 3,-1.2 -3,-0.2 4,-0.5 -0.392 89.3-121.0 -70.3 154.4 67.6 -4.5 22.5 52 56 A E T 3 S+ 0 0 79 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.477 105.9 79.3 -74.3 -1.6 71.3 -5.0 21.7 53 57 A I T 3> S+ 0 0 17 -5,-0.2 4,-3.1 1,-0.1 5,-0.5 0.725 84.6 62.9 -73.8 -22.7 70.9 -8.6 22.9 54 58 A W H <>>S+ 0 0 10 -3,-1.2 5,-2.5 -6,-0.5 4,-2.5 0.978 101.7 43.9 -67.6 -60.2 69.4 -9.4 19.5 55 59 A R H 45S+ 0 0 76 -4,-0.5 -1,-0.2 3,-0.2 -2,-0.1 0.510 121.9 47.5 -62.8 -3.5 72.3 -8.7 17.2 56 60 A E H 45S+ 0 0 121 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.853 127.1 13.7-102.4 -55.6 74.4 -10.6 19.8 57 61 A L H <5S+ 0 0 23 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.2 0.667 134.9 29.5 -99.5 -22.1 72.5 -13.8 20.7 58 62 A F T ><5S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.5 -3,-0.2 0.764 101.2 68.0-116.4 -36.2 70.0 -14.2 18.0 59 63 A S G > - 0 0 6 -27,-2.2 3,-1.7 -2,-0.3 -25,-0.3 -0.978 26.0-116.7-135.2 125.3 54.0 -6.7 17.4 69 73 A G T 3 S+ 0 0 34 -2,-0.4 -27,-0.0 -27,-0.3 -28,-0.0 -0.274 97.1 17.7 -60.0 135.1 53.1 -4.7 20.6 70 74 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 0, 0.0 -28,-0.1 0.287 86.6 147.3 89.2 -5.5 49.6 -5.3 21.9 71 75 A D < - 0 0 1 -3,-1.7 27,-0.5 -30,-0.2 29,-0.4 -0.308 30.8-158.7 -67.0 142.5 48.9 -8.6 20.0 72 76 A S >> - 0 0 11 25,-0.1 4,-1.7 28,-0.1 3,-0.8 -0.578 40.1 -89.8-106.0 177.8 46.8 -11.3 21.6 73 77 A T H 3> S+ 0 0 0 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.902 125.0 53.9 -58.0 -44.8 46.8 -15.0 20.6 74 78 A Q H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -66,-1.6 0.767 107.2 52.0 -61.9 -28.3 44.1 -14.6 17.8 75 79 A H H <> S+ 0 0 28 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.889 110.4 46.6 -75.7 -43.9 46.1 -11.8 16.2 76 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.910 111.3 52.7 -60.8 -43.4 49.3 -13.9 16.0 77 81 A L H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.933 110.0 48.5 -59.5 -45.7 47.3 -16.9 14.7 78 82 A W H X S+ 0 0 44 -4,-1.7 4,-1.2 -70,-0.3 -2,-0.2 0.909 110.3 51.1 -61.0 -46.1 45.8 -14.7 11.9 79 83 A R H <>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.4 0.910 109.9 49.5 -58.2 -44.7 49.3 -13.3 11.0 80 84 A L H <5S+ 0 0 1 -4,-2.4 5,-0.5 1,-0.2 3,-0.5 0.800 114.4 45.6 -62.9 -32.3 50.7 -16.9 10.7 81 85 A E H <5S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.624 109.3 57.9 -86.6 -13.9 47.8 -17.9 8.5 82 86 A N T <5S- 0 0 76 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 -0.088 128.7 -57.4-116.6 39.7 48.0 -14.8 6.3 83 87 A G T > 5S+ 0 0 11 -3,-0.5 3,-1.3 -56,-0.0 -3,-0.1 0.064 105.6 98.5 125.6 -26.2 51.5 -14.7 4.7 84 88 A E T 3 S+ 0 0 0 -5,-0.5 3,-0.6 -6,-0.3 -1,-0.3 0.291 92.5 110.5-105.8 6.9 54.8 -18.4 7.2 86 90 A E T < S+ 0 0 62 -3,-1.3 3,-0.1 1,-0.2 -4,-0.0 -0.542 76.3 11.6 -86.1 149.7 55.0 -18.3 3.4 87 91 A H T 3 S+ 0 0 130 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.602 107.8 94.7 65.8 16.0 58.2 -18.9 1.4 88 92 A I < - 0 0 13 -3,-0.6 -1,-0.2 -54,-0.1 -54,-0.1 -0.873 53.0-163.2-132.3 163.6 60.2 -20.0 4.3 89 93 A R - 0 0 74 -54,-0.4 -3,-0.0 -2,-0.3 35,-0.0 -0.390 23.3-178.4-143.1 65.8 61.2 -23.3 6.0 90 94 A P - 0 0 0 0, 0.0 -53,-0.2 0, 0.0 -54,-0.2 -0.201 27.2-145.8 -66.8 156.0 62.5 -22.5 9.5 91 95 A K S S+ 0 0 42 -55,-2.0 37,-3.2 1,-0.3 2,-0.4 0.734 87.1 28.3 -86.3 -26.7 63.8 -25.2 11.8 92 96 A I E -bc 37 128A 3 -56,-1.8 -54,-2.2 35,-0.3 2,-0.5 -0.999 59.5-167.3-140.0 136.4 62.4 -23.4 14.8 93 97 A V E -bc 38 129A 0 35,-2.2 37,-2.6 -2,-0.4 2,-0.5 -0.994 15.1-154.3-120.0 124.1 59.4 -21.1 15.5 94 98 A V E -bc 39 130A 2 -56,-3.0 -54,-2.6 -2,-0.5 2,-0.4 -0.857 9.3-163.4 -99.5 130.9 59.4 -19.3 18.8 95 99 A V E +bc 40 131A 1 35,-3.5 37,-2.6 -2,-0.5 2,-0.3 -0.944 17.9 164.5-119.8 129.6 56.0 -18.2 20.2 96 100 A W E +b 41 0A 2 -56,-1.8 -54,-2.2 -2,-0.4 -51,-0.4 -0.754 31.5 110.7-147.6 98.8 55.4 -15.6 23.0 97 101 A V + 0 0 2 35,-0.3 -25,-0.1 -2,-0.3 37,-0.1 -0.980 27.0 84.9-162.5 155.1 51.9 -14.3 23.3 98 102 A G > + 0 0 1 -27,-0.5 3,-1.1 -2,-0.3 -26,-0.1 0.126 62.4 94.6 133.7 -22.7 48.9 -14.4 25.7 99 103 A T T 3 S+ 0 0 12 1,-0.2 -27,-0.1 -28,-0.1 49,-0.1 0.727 87.8 54.2 -73.0 -17.8 49.5 -11.8 28.4 100 104 A N T 3 S+ 0 0 25 -29,-0.4 2,-2.2 1,-0.1 -1,-0.2 0.410 72.9 109.2 -93.1 -0.7 47.4 -9.3 26.3 101 105 A N X + 0 0 1 -3,-1.1 3,-1.8 -30,-0.1 -1,-0.1 -0.281 50.1 177.4 -74.3 53.8 44.3 -11.5 26.0 102 106 A H T 3 + 0 0 101 -2,-2.2 3,-0.1 1,-0.2 -2,-0.1 -0.351 65.9 25.8 -62.2 132.4 42.2 -9.4 28.4 103 107 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.350 99.8 104.6 96.0 -7.1 38.6 -10.6 28.8 104 108 A H S < S- 0 0 30 -3,-1.8 -1,-0.3 -101,-0.1 -3,-0.0 -0.877 72.9-121.2-107.0 138.7 39.6 -14.2 27.9 105 109 A T > - 0 0 68 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.295 29.2-105.4 -72.7 166.0 39.8 -16.8 30.7 106 110 A A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.881 123.3 54.6 -56.7 -39.6 43.2 -18.7 31.3 107 111 A E H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 108.5 48.5 -60.4 -43.5 41.6 -21.8 29.6 108 112 A Q H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 110.1 50.0 -64.5 -44.8 40.7 -19.8 26.5 109 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.914 109.0 53.4 -60.8 -43.3 44.2 -18.2 26.2 110 114 A T H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.935 107.5 50.4 -57.0 -45.1 45.6 -21.8 26.5 111 115 A G H X S+ 0 0 22 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.889 108.2 54.1 -61.5 -37.8 43.4 -22.8 23.6 112 116 A G H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.914 110.0 45.9 -58.4 -46.6 44.7 -19.8 21.7 113 117 A I H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 112.1 50.5 -65.2 -42.1 48.3 -20.9 22.2 114 118 A K H X S+ 0 0 110 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 107.7 54.9 -64.5 -36.3 47.5 -24.5 21.3 115 119 A A H X S+ 0 0 26 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.870 107.9 49.8 -61.7 -37.8 45.8 -23.2 18.1 116 120 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.913 110.7 47.4 -69.2 -44.3 49.0 -21.5 17.2 117 121 A V H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.915 113.0 50.5 -61.9 -44.6 51.3 -24.6 17.8 118 122 A Q H X S+ 0 0 101 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.893 109.8 49.8 -61.4 -41.9 48.8 -26.7 15.7 119 123 A L H X S+ 0 0 24 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.926 111.7 47.3 -62.9 -47.3 48.9 -24.1 12.9 120 124 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 7,-0.3 0.905 109.7 54.5 -59.4 -40.1 52.7 -24.1 12.8 121 125 A N H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 114.3 42.6 -63.8 -31.0 52.7 -27.9 12.9 122 126 A E H < S+ 0 0 130 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.935 122.6 33.9 -80.4 -49.5 50.4 -27.9 9.8 123 127 A R H < S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.788 136.0 22.9 -78.6 -29.6 52.1 -25.2 7.8 124 128 A Q S >< S+ 0 0 4 -4,-2.9 3,-2.3 -5,-0.3 -1,-0.2 -0.526 70.7 165.9-137.2 61.1 55.7 -25.8 8.8 125 129 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.723 73.5 60.4 -56.5 -27.5 55.7 -29.5 10.0 126 130 A Q T 3 S+ 0 0 104 -3,-0.1 2,-0.2 -36,-0.1 -5,-0.1 0.630 89.1 98.9 -72.3 -14.5 59.5 -29.8 9.9 127 131 A A < - 0 0 4 -3,-2.3 2,-0.3 -7,-0.3 -35,-0.3 -0.502 68.5-138.0 -83.2 139.2 59.7 -27.0 12.6 128 132 A R E -c 92 0A 20 -37,-3.2 -35,-2.2 -2,-0.2 2,-0.5 -0.712 24.9-139.8 -81.8 147.3 60.2 -27.4 16.3 129 133 A V E -cd 93 165A 0 35,-2.8 37,-3.4 -2,-0.3 2,-0.5 -0.942 14.0-165.5-116.9 126.9 58.0 -25.0 18.3 130 134 A V E -cd 94 166A 0 -37,-2.6 -35,-3.5 -2,-0.5 2,-0.5 -0.965 4.0-168.6-110.5 122.2 59.1 -23.2 21.4 131 135 A V E -cd 95 167A 2 35,-2.5 37,-2.4 -2,-0.5 2,-0.3 -0.953 12.0-146.5-109.0 120.3 56.4 -21.5 23.5 132 136 A L E - d 0 168A 3 -37,-2.6 -35,-0.3 -2,-0.5 37,-0.2 -0.604 23.5-110.9 -83.9 144.3 57.6 -19.2 26.3 133 137 A G - 0 0 3 35,-2.5 37,-0.2 -2,-0.3 2,-0.2 -0.413 38.2 -99.4 -70.4 150.4 55.6 -19.0 29.5 134 138 A L - 0 0 8 14,-0.4 -1,-0.1 -2,-0.1 18,-0.1 -0.487 42.2-124.3 -71.3 135.8 53.7 -15.7 30.2 135 139 A L - 0 0 7 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.432 21.7-103.9 -81.6 155.9 55.6 -13.4 32.6 136 140 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.342 43.7-173.1 -69.7 165.5 54.2 -12.1 35.8 137 141 A R + 0 0 35 3,-0.1 53,-0.2 5,-0.1 8,-0.1 -0.953 34.7 62.8-156.0 163.7 53.2 -8.4 35.7 138 142 A G S S- 0 0 23 51,-2.8 51,-0.1 -2,-0.3 4,-0.1 0.218 77.2-103.0 90.3 146.5 52.0 -5.6 38.1 139 143 A Q S S+ 0 0 106 41,-0.1 42,-1.4 49,-0.1 -1,-0.1 0.826 103.6 25.3 -69.8 -33.2 54.1 -4.1 40.9 140 144 A H S S- 0 0 52 40,-0.2 40,-0.1 1,-0.1 -3,-0.1 -0.736 109.0 -62.2-124.9 167.0 52.1 -6.1 43.6 141 145 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.278 66.9 156.0 -53.8 140.4 50.1 -9.4 43.7 142 146 A N >> - 0 0 38 -5,-0.1 4,-1.1 -4,-0.1 3,-1.1 -0.965 56.5 -91.7-159.8 166.4 47.1 -9.2 41.4 143 147 A P H 3> S+ 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.719 117.2 62.1 -59.7 -25.2 44.6 -11.4 39.4 144 148 A L H 3> S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.813 98.5 55.5 -73.3 -29.5 46.8 -11.2 36.2 145 149 A R H <> S+ 0 0 19 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.955 111.3 44.6 -62.1 -48.2 49.7 -12.9 37.9 146 150 A E H X S+ 0 0 123 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.876 113.0 51.5 -63.0 -42.9 47.3 -15.8 38.8 147 151 A K H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.954 111.6 45.9 -55.0 -50.2 45.9 -15.8 35.3 148 152 A N H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -14,-0.4 0.836 112.6 50.7 -68.5 -36.8 49.3 -16.0 33.6 149 153 A R H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.925 110.4 49.8 -61.6 -47.7 50.5 -18.7 36.0 150 154 A R H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 110.0 50.7 -60.8 -43.2 47.3 -20.8 35.4 151 155 A V H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.934 109.1 52.1 -56.4 -48.3 47.9 -20.4 31.6 152 156 A N H X S+ 0 0 26 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.840 109.5 49.1 -59.0 -35.1 51.5 -21.6 32.1 153 157 A E H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 115.0 43.5 -70.7 -43.5 50.3 -24.7 34.0 154 158 A L H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 116.2 47.1 -70.5 -42.5 47.7 -25.6 31.3 155 159 A V H X S+ 0 0 1 -4,-3.2 4,-2.0 -5,-0.2 -2,-0.2 0.922 111.6 50.8 -63.2 -47.3 50.1 -24.9 28.4 156 160 A R H X S+ 0 0 146 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.926 111.0 48.6 -54.8 -48.0 52.9 -26.8 30.0 157 161 A A H < S+ 0 0 71 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.842 110.6 52.8 -62.2 -35.7 50.6 -29.8 30.6 158 162 A A H < S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.6 39.2 -69.2 -36.1 49.4 -29.6 26.9 159 163 A L H >< S+ 0 0 9 -4,-2.0 3,-1.6 1,-0.2 6,-0.3 0.532 89.1 94.4 -91.2 -9.6 52.9 -29.6 25.4 160 164 A A T 3< S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.929 96.5 33.0 -47.1 -53.3 54.3 -32.2 27.9 161 165 A G T 3 S+ 0 0 78 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.274 97.0 94.4 -90.1 10.9 53.6 -35.1 25.4 162 166 A H X - 0 0 54 -3,-1.6 3,-1.5 3,-0.2 -1,-0.1 -0.867 58.7-168.4-103.5 95.1 54.2 -33.1 22.3 163 167 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.455 83.4 47.1 -76.4 -0.1 57.9 -33.9 21.5 164 168 A R T 3 S+ 0 0 42 1,-0.1 -35,-2.8 -5,-0.1 2,-0.5 0.370 101.2 75.3-111.8 -1.1 58.4 -31.2 18.9 165 169 A A E < -d 129 0A 5 -3,-1.5 2,-0.5 -6,-0.3 -35,-0.2 -0.962 68.2-163.7-111.5 126.2 56.8 -28.5 21.0 166 170 A H E -d 130 0A 52 -37,-3.4 -35,-2.5 -2,-0.5 2,-0.5 -0.958 9.4-150.1-118.9 120.1 58.9 -27.2 23.9 167 171 A F E -d 131 0A 38 -2,-0.5 2,-0.5 -37,-0.2 -35,-0.2 -0.815 16.5-171.1 -88.0 122.1 57.6 -25.2 26.8 168 172 A L E -d 132 0A 28 -37,-2.4 -35,-2.5 -2,-0.5 2,-1.0 -0.968 16.2-158.9-120.7 116.1 60.2 -22.8 28.3 169 173 A D + 0 0 90 -2,-0.5 -37,-0.1 -37,-0.2 -35,-0.1 -0.851 15.4 178.7 -88.5 101.3 59.6 -20.9 31.5 170 174 A A + 0 0 5 -2,-1.0 33,-0.2 -37,-0.2 -1,-0.1 0.315 37.7 119.9 -87.8 8.9 62.1 -18.1 31.0 171 175 A D - 0 0 50 1,-0.1 -2,-0.1 -37,-0.1 -37,-0.0 -0.667 44.9-166.9 -81.3 114.4 61.2 -16.3 34.3 172 176 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.537 69.1 -70.8 -75.9 -4.9 64.4 -16.1 36.5 173 177 A G + 0 0 42 3,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.696 66.2 169.5 117.2 42.8 62.2 -15.1 39.5 174 178 A F + 0 0 4 1,-0.1 2,-0.8 7,-0.1 8,-0.5 0.829 62.5 78.0 -53.7 -37.6 60.9 -11.5 38.8 175 179 A V S S- 0 0 55 6,-0.1 6,-0.2 2,-0.1 -1,-0.1 -0.675 79.4-148.1 -79.5 112.0 58.4 -11.7 41.7 176 180 A H > - 0 0 81 4,-3.0 3,-2.5 -2,-0.8 -2,-0.1 -0.212 29.6 -94.6 -73.4 167.5 60.4 -11.2 44.9 177 181 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.699 124.9 57.7 -53.4 -28.0 59.6 -12.7 48.4 178 182 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 -38,-0.0 3,-0.1 0.304 121.6-106.4 -90.2 8.5 57.7 -9.6 49.3 179 183 A G S < S+ 0 0 13 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.541 80.3 124.0 83.0 9.9 55.4 -10.0 46.3 180 184 A T - 0 0 41 -40,-0.1 -4,-3.0 -4,-0.0 2,-0.4 -0.696 52.8-145.0-105.5 153.8 56.9 -7.1 44.3 181 185 A I - 0 0 3 -42,-1.4 2,-0.3 -2,-0.3 -6,-0.1 -0.961 28.3-123.2-110.1 136.8 58.5 -6.8 40.9 182 186 A S >> - 0 0 28 -8,-0.5 4,-2.2 -2,-0.4 3,-1.6 -0.583 4.6-137.5 -81.4 135.6 61.3 -4.3 40.6 183 187 A H T 34 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.689 104.6 71.3 -63.1 -13.4 61.1 -1.4 38.1 184 188 A H T 34 S+ 0 0 119 1,-0.2 12,-0.3 2,-0.1 11,-0.3 0.814 107.9 32.3 -70.8 -29.3 64.7 -2.3 37.4 185 189 A D T <4 S+ 0 0 28 -3,-1.6 8,-2.8 1,-0.3 2,-0.4 0.836 138.4 20.1 -91.4 -41.4 63.5 -5.5 35.7 186 190 A M B >< -E 192 0B 0 -4,-2.2 3,-1.3 6,-0.3 -1,-0.3 -0.950 68.6-159.2-132.2 107.2 60.3 -4.2 34.3 187 191 A Y T 3 S+ 0 0 129 4,-0.6 -4,-0.1 -2,-0.4 5,-0.1 0.819 98.2 23.1 -62.0 -28.4 60.2 -0.4 34.1 188 192 A D T 3 S- 0 0 65 3,-0.6 -1,-0.3 -50,-0.0 -50,-0.2 0.096 116.6-102.9-122.3 22.9 56.4 -0.3 34.0 189 193 A Y S < S+ 0 0 71 -3,-1.3 -51,-2.8 2,-0.3 -2,-0.1 0.741 115.1 52.9 62.0 25.3 55.8 -3.7 35.7 190 194 A L S S+ 0 0 42 1,-0.5 2,-0.3 -53,-0.2 -1,-0.1 0.351 93.9 61.3-146.0 -55.9 55.0 -5.3 32.3 191 195 A H S S- 0 0 40 1,-0.1 -4,-0.6 -5,-0.0 -3,-0.6 -0.620 82.9-116.6 -85.2 141.3 57.8 -4.6 29.7 192 196 A L B -E 186 0B 7 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.1 -0.541 20.3-140.9 -80.9 135.1 61.3 -5.8 30.4 193 197 A S > - 0 0 23 -8,-2.8 4,-2.1 -2,-0.2 5,-0.2 -0.320 40.6 -91.5 -76.0 173.2 64.2 -3.4 30.8 194 198 A R H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -9,-0.1 0.904 132.1 50.0 -51.9 -42.3 67.6 -4.2 29.3 195 199 A L H 4 S+ 0 0 103 -11,-0.3 -1,-0.2 1,-0.2 -10,-0.1 0.836 108.9 50.0 -66.3 -38.1 68.4 -5.9 32.6 196 200 A G H > S+ 0 0 0 -11,-0.4 4,-0.8 -12,-0.3 -1,-0.2 0.812 107.5 55.2 -72.8 -30.1 65.2 -7.9 32.7 197 201 A Y H X S+ 0 0 8 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.799 92.0 75.4 -70.6 -30.8 65.8 -9.2 29.2 198 202 A T H X S+ 0 0 50 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.933 102.0 34.6 -49.8 -61.4 69.3 -10.6 30.0 199 203 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.846 118.8 54.0 -66.9 -31.5 68.3 -13.7 31.9 200 204 A V H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.968 113.8 39.9 -61.6 -55.8 65.2 -14.2 29.7 201 205 A C H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.778 111.9 58.5 -65.9 -31.1 67.2 -14.1 26.4 202 206 A R H X S+ 0 0 125 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.916 108.6 45.2 -63.7 -46.0 70.1 -16.2 28.0 203 207 A A H X S+ 0 0 36 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.898 115.2 47.3 -63.4 -43.9 67.6 -19.0 28.8 204 208 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.926 109.5 53.1 -64.6 -46.5 66.1 -18.8 25.3 205 209 A H H X S+ 0 0 49 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.904 107.7 52.0 -55.7 -43.1 69.4 -18.7 23.5 206 210 A S H X S+ 0 0 75 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.893 111.7 45.5 -61.3 -46.5 70.5 -21.9 25.4 207 211 A L H X S+ 0 0 41 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.919 112.8 50.0 -62.7 -46.4 67.4 -23.8 24.4 208 212 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.883 112.3 49.1 -58.2 -39.2 67.7 -22.6 20.8 209 213 A L H < S+ 0 0 91 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.911 111.3 48.8 -68.7 -43.3 71.4 -23.7 20.8 210 214 A R H < S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.976 116.5 41.3 -58.4 -57.5 70.5 -27.2 22.3 211 215 A L H < 0 0 64 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.829 360.0 360.0 -61.0 -37.6 67.7 -27.8 19.7 212 216 A L < 0 0 82 -4,-2.2 -3,-0.0 -5,-0.3 0, 0.0 -0.173 360.0 360.0 -75.0 360.0 69.7 -26.4 16.8