==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-00 1EI9 . COMPND 2 MOLECULE: PALMITOYL PROTEIN THIOESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.J.BELLIZZI III,J.WIDOM,C.KEMP,J.Y.LU,A.K.DAS,S.L.HOFMANN,J . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.4 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 3 0 2 2 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 28 A D > 0 0 165 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.2 52.3 39.2 40.1 2 29 A P T 3 + 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.762 360.0 59.5 -39.3 -42.7 50.5 35.8 39.8 3 30 A P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.859 98.6 57.9 -61.5 -36.4 53.8 33.8 39.5 4 31 A A S < S+ 0 0 74 -3,-1.6 2,-0.9 1,-0.2 34,-0.1 0.914 108.8 44.7 -61.8 -46.8 55.2 34.9 42.9 5 32 A P S S- 0 0 31 0, 0.0 34,-0.3 0, 0.0 -1,-0.2 -0.815 79.5-159.6-105.1 97.7 52.2 33.6 44.9 6 33 A L - 0 0 42 -2,-0.9 76,-0.1 273,-0.5 72,-0.1 -0.604 29.5-107.7 -73.6 130.4 51.3 30.1 43.7 7 34 A P - 0 0 12 0, 0.0 76,-2.5 0, 0.0 2,-0.4 -0.196 30.5-138.6 -56.9 146.7 47.7 29.2 44.6 8 35 A L E -ab 40 83A 0 31,-2.0 33,-2.7 74,-0.2 2,-0.4 -0.935 10.4-159.7-115.8 134.3 47.2 26.6 47.4 9 36 A V E -ab 41 84A 0 74,-2.5 76,-2.4 -2,-0.4 2,-0.4 -0.931 10.6-163.6-111.3 134.3 44.7 23.9 47.4 10 37 A I E -ab 42 85A 0 31,-2.3 33,-2.1 -2,-0.4 2,-0.5 -0.952 12.4-170.6-123.1 138.8 43.6 22.2 50.6 11 38 A W E - b 0 86A 2 74,-1.7 76,-2.4 -2,-0.4 79,-0.1 -0.964 21.5-143.0-127.9 113.4 41.8 18.9 51.3 12 39 A H - 0 0 3 -2,-0.5 3,-0.1 31,-0.4 6,-0.1 -0.102 17.7-111.5 -68.4 169.8 40.7 18.3 54.9 13 40 A G > - 0 0 4 1,-0.2 3,-1.5 4,-0.1 75,-0.1 -0.167 50.3 -50.7 -93.3-171.0 40.7 15.0 56.8 14 41 A M T 3 S+ 0 0 61 1,-0.2 -1,-0.2 73,-0.1 3,-0.1 -0.384 122.2 10.6 -65.2 132.6 38.1 12.6 58.1 15 42 A G T 3 S+ 0 0 40 38,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.444 110.9 96.6 81.0 1.1 35.4 14.2 60.3 16 43 A D < - 0 0 37 -3,-1.5 -1,-0.3 36,-0.1 2,-0.2 -0.601 59.6-140.1-114.8 175.9 36.5 17.7 59.4 17 44 A S - 0 0 2 -2,-0.2 3,-0.5 -3,-0.1 7,-0.2 -0.749 25.2-102.6-131.5 178.8 35.3 20.3 56.9 18 45 A C S S+ 0 0 5 -2,-0.2 26,-0.1 1,-0.2 -1,-0.0 0.859 109.2 30.0 -69.2 -38.9 36.5 23.0 54.4 19 46 A C + 0 0 77 5,-0.1 -1,-0.2 6,-0.1 30,-0.0 -0.158 69.3 138.5-126.8 44.4 35.7 26.0 56.4 20 47 A N >>> - 0 0 65 -3,-0.5 5,-2.3 1,-0.1 3,-1.8 -0.781 47.5-139.3 -92.9 120.7 35.9 25.6 60.2 21 48 A P T 345S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.757 101.1 48.4 -44.0 -33.0 37.6 28.6 62.0 22 49 A L T 345S+ 0 0 161 3,-0.1 -3,-0.0 4,-0.1 -2,-0.0 0.633 124.7 18.2 -90.0 -12.5 39.4 26.2 64.3 23 50 A S T <45S+ 0 0 32 -3,-1.8 4,-0.2 -6,-0.0 -5,-0.1 0.764 135.0 4.2-121.7 -65.2 40.9 23.7 61.8 24 51 A M T X5S+ 0 0 7 -4,-0.8 4,-2.6 2,-0.2 5,-0.1 0.711 127.2 57.8 -98.3 -29.0 41.2 24.4 58.1 25 52 A G H > S+ 0 0 37 -6,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.777 109.9 51.2 -73.5 -27.6 42.8 28.6 60.7 27 54 A I H > S+ 0 0 13 -4,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.939 106.9 54.4 -71.2 -47.3 45.2 27.0 58.3 28 55 A K H X S+ 0 0 54 -4,-2.6 4,-1.5 1,-0.2 3,-0.2 0.826 113.4 40.7 -54.6 -39.0 43.9 29.3 55.5 29 56 A K H X S+ 0 0 92 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.759 108.6 59.0 -84.0 -26.1 44.6 32.4 57.5 30 57 A M H X S+ 0 0 32 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.549 113.3 41.7 -77.6 -7.5 47.9 31.2 58.8 31 58 A V H X S+ 0 0 0 -4,-0.7 4,-0.6 -3,-0.2 -2,-0.2 0.717 110.0 53.4-105.0 -37.4 49.0 31.0 55.2 32 59 A E H < S+ 0 0 55 -4,-1.5 5,-0.2 -5,-0.2 -2,-0.2 0.679 108.7 57.3 -72.0 -14.8 47.4 34.2 53.9 33 60 A K H < S+ 0 0 145 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.983 110.0 36.2 -75.8 -66.3 49.4 35.8 56.7 34 61 A K H < S+ 0 0 106 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.421 124.0 46.9 -69.6 0.7 52.9 34.8 55.9 35 62 A I S >< S- 0 0 10 -4,-0.6 3,-1.6 3,-0.1 -1,-0.2 -0.625 81.6-149.3-147.1 82.5 52.2 35.1 52.1 36 63 A P T 3 S+ 0 0 113 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.234 79.5 14.1 -56.2 131.7 50.4 38.3 51.0 37 64 A G T 3 S+ 0 0 75 1,-0.3 -5,-0.1 -5,-0.2 0, 0.0 0.195 84.5 147.1 91.3 -15.6 48.2 37.9 48.0 38 65 A I < - 0 0 11 -3,-1.6 2,-0.7 -7,-0.2 -1,-0.3 -0.211 44.4-134.9 -58.1 140.9 48.0 34.1 47.9 39 66 A H - 0 0 55 -34,-0.3 -31,-2.0 38,-0.1 2,-0.5 -0.889 22.9-167.6-100.4 114.5 44.8 32.5 46.6 40 67 A V E -a 8 0A 9 -2,-0.7 2,-0.6 -33,-0.2 -31,-0.2 -0.906 7.9-170.1-108.5 127.6 43.7 29.6 48.9 41 68 A L E -a 9 0A 41 -33,-2.7 -31,-2.3 -2,-0.5 2,-0.9 -0.945 5.0-163.4-117.6 109.4 41.0 27.2 47.9 42 69 A S E -a 10 0A 15 -2,-0.6 -31,-0.2 -33,-0.2 -24,-0.1 -0.828 27.8-123.1 -96.9 106.1 39.8 24.8 50.6 43 70 A L - 0 0 3 -33,-2.1 2,-0.4 -2,-0.9 -31,-0.4 -0.093 24.9-167.7 -50.4 137.1 37.9 21.9 48.9 44 71 A E - 0 0 70 -26,-0.1 2,-0.8 -27,-0.1 -1,-0.1 -0.982 9.6-151.7-131.4 116.8 34.3 21.3 50.0 45 72 A I + 0 0 3 -2,-0.4 10,-0.2 4,-0.1 2,-0.2 -0.794 67.4 6.6 -93.7 105.8 32.7 18.0 48.8 46 73 A G S S- 0 0 35 -2,-0.8 -2,-0.1 1,-0.1 6,-0.0 -0.654 96.9 -72.0 117.3-176.0 29.0 18.5 48.5 47 74 A K S S+ 0 0 193 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.686 105.3 29.6 -94.1 -19.1 26.7 21.5 48.8 48 75 A T S > S- 0 0 63 -3,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.844 81.5-105.6-134.9 172.4 26.8 22.2 52.5 49 76 A L H > S+ 0 0 99 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.869 119.5 54.4 -63.0 -39.2 29.1 21.8 55.6 50 77 A R H > S+ 0 0 188 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 109.3 45.8 -64.4 -39.6 27.0 18.9 56.8 51 78 A E H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 109.8 56.7 -72.3 -32.7 27.3 17.0 53.5 52 79 A D H X S+ 0 0 1 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.911 110.5 42.5 -64.8 -44.5 31.1 17.8 53.5 53 80 A V H >< S+ 0 0 44 -4,-2.1 3,-0.5 2,-0.2 -38,-0.5 0.943 117.3 44.5 -71.0 -45.4 31.6 16.1 56.9 54 81 A E H >X S+ 0 0 89 -4,-2.0 4,-2.8 1,-0.2 3,-1.3 0.837 108.4 60.0 -68.8 -27.9 29.4 13.1 56.3 55 82 A N H 3X S+ 0 0 26 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.824 92.3 66.5 -66.3 -29.8 31.0 12.8 52.9 56 83 A S H << S+ 0 0 3 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.710 117.0 26.9 -64.2 -16.5 34.4 12.4 54.6 57 84 A F H <4 S+ 0 0 66 -3,-1.3 97,-1.9 -4,-0.4 98,-0.3 0.727 130.7 32.3-111.7 -36.2 33.0 9.1 55.9 58 85 A F H < S+ 0 0 128 -4,-2.8 2,-0.5 95,-0.2 -3,-0.2 0.210 88.7 90.8-117.3 18.5 30.3 7.9 53.4 59 86 A L S < S- 0 0 50 -4,-1.4 5,-0.2 -5,-0.1 93,-0.1 -0.960 81.4-101.9-121.8 126.2 31.1 8.9 49.8 60 87 A N > - 0 0 25 91,-0.5 4,-1.6 -2,-0.5 3,-0.4 -0.067 28.6-140.8 -39.8 121.2 33.1 6.7 47.4 61 88 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.909 100.4 56.1 -57.4 -45.8 36.6 8.2 47.2 62 89 A N H > S+ 0 0 35 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.889 108.9 49.9 -56.3 -35.2 37.0 7.6 43.5 63 90 A S H > S+ 0 0 58 -3,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.820 108.8 51.3 -71.8 -32.3 33.8 9.7 43.1 64 91 A Q H X S+ 0 0 3 -4,-1.6 4,-2.7 -3,-0.4 -2,-0.2 0.915 108.9 51.8 -68.6 -42.7 35.2 12.5 45.4 65 92 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.897 108.9 48.3 -60.8 -44.4 38.4 12.7 43.3 66 93 A T H X S+ 0 0 82 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.875 112.0 51.5 -66.0 -35.2 36.6 13.0 40.0 67 94 A T H X S+ 0 0 53 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.938 111.2 47.5 -65.4 -44.5 34.5 15.7 41.6 68 95 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.919 108.6 52.2 -63.0 -46.0 37.6 17.5 42.9 69 96 A a H X S+ 0 0 22 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.792 107.4 55.7 -61.6 -25.7 39.4 17.4 39.5 70 97 A Q H X S+ 0 0 122 -4,-1.2 4,-0.6 -3,-0.2 -1,-0.2 0.868 109.7 45.3 -72.4 -37.7 36.2 18.9 38.0 71 98 A I H >< S+ 0 0 61 -4,-1.4 3,-0.8 -3,-0.3 4,-0.4 0.894 109.4 53.0 -72.7 -43.2 36.5 21.8 40.4 72 99 A L H 3< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.790 107.4 55.2 -63.5 -26.8 40.2 22.4 39.9 73 100 A A H 3< S+ 0 0 49 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.686 105.7 49.9 -80.0 -20.9 39.5 22.6 36.2 74 101 A K S << S+ 0 0 151 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.385 88.7 92.8 -98.9 2.4 36.9 25.4 36.4 75 102 A D >> - 0 0 27 -3,-0.5 3,-1.5 -4,-0.4 4,-0.5 -0.870 60.6-161.0-101.0 108.6 39.1 27.6 38.6 76 103 A P G >4 S+ 0 0 107 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.817 84.2 64.1 -55.1 -39.5 41.0 30.1 36.4 77 104 A K G 34 S+ 0 0 140 1,-0.2 3,-0.2 2,-0.1 -38,-0.1 0.591 100.9 53.7 -66.5 -8.2 43.7 31.0 38.9 78 105 A L G X4 S+ 0 0 0 -3,-1.5 3,-2.8 -6,-0.2 -1,-0.2 0.700 75.4 96.3 -99.1 -21.2 45.0 27.5 39.0 79 106 A Q T << S+ 0 0 79 -3,-0.8 -1,-0.1 -4,-0.5 -2,-0.1 0.610 85.6 50.5 -45.5 -20.9 45.6 26.9 35.3 80 107 A Q T 3 S- 0 0 182 1,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.223 126.5 -61.7-106.1 15.2 49.3 27.8 35.6 81 108 A G < - 0 0 3 -3,-2.8 -1,-0.4 2,-0.0 2,-0.3 -0.372 50.0-154.2 123.2 156.0 50.2 25.5 38.5 82 109 A Y E - c 0 106A 1 23,-1.1 25,-2.8 -2,-0.1 2,-0.2 -0.944 15.1-127.8-168.1 143.4 49.2 25.0 42.2 83 110 A N E -b 8 0A 4 -76,-2.5 -74,-2.5 -2,-0.3 2,-0.4 -0.625 26.9-155.6 -90.1 152.6 50.5 23.7 45.4 84 111 A A E -bc 9 109A 0 24,-2.8 26,-3.1 -2,-0.2 2,-0.4 -0.979 11.5-172.5-132.9 145.9 48.4 21.2 47.4 85 112 A M E -bc 10 110A 0 -76,-2.4 -74,-1.7 -2,-0.4 2,-0.4 -0.949 7.0-169.5-142.0 115.4 48.2 20.3 51.0 86 113 A G E -bc 11 111A 0 24,-2.2 26,-2.5 -2,-0.4 2,-0.5 -0.877 11.4-145.1-111.9 140.5 46.2 17.4 52.4 87 114 A F E > - c 0 112A 12 -76,-2.4 3,-2.9 -2,-0.4 26,-0.2 -0.874 62.5 -42.4-105.2 129.7 45.5 16.6 56.0 88 115 A S T > S+ 0 0 16 24,-2.4 3,-3.6 -2,-0.5 4,-0.4 -0.288 139.9 4.4 52.6-131.8 45.2 13.0 57.2 89 116 A Q T 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.751 122.0 76.8 -53.5 -20.7 43.3 11.0 54.6 90 117 A G H <> S+ 0 0 0 -3,-2.9 4,-1.6 1,-0.2 -1,-0.3 0.786 86.5 65.6 -58.4 -24.1 43.4 14.3 52.6 91 118 A G H <> S+ 0 0 0 -3,-3.6 4,-1.4 2,-0.2 3,-0.3 0.960 104.9 35.4 -63.6 -56.9 47.0 13.3 51.9 92 119 A Q H > S+ 0 0 0 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.818 114.6 61.5 -68.5 -28.5 46.5 10.1 49.9 93 120 A F H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.857 105.5 44.8 -65.0 -37.4 43.4 11.8 48.3 94 121 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.801 107.9 57.4 -77.7 -30.9 45.5 14.6 46.8 95 122 A R H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.827 105.3 52.9 -65.7 -31.8 48.1 12.2 45.6 96 123 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.896 106.3 52.1 -69.1 -39.5 45.3 10.4 43.7 97 124 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.925 109.8 50.0 -60.8 -43.0 44.3 13.8 42.1 98 125 A A H < S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.4 43.7 -61.7 -44.0 48.0 14.2 41.1 99 126 A Q H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 92,-0.2 0.787 121.9 37.6 -73.2 -29.5 48.1 10.8 39.5 100 127 A R H < S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.714 119.5 36.3 -98.2 -26.1 44.7 11.0 37.8 101 128 A a < + 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.707 53.2 178.4-137.1 91.0 44.3 14.6 36.5 102 129 A P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.503 54.6 101.1 -62.1 -10.3 47.5 16.3 35.2 103 130 A S S S+ 0 0 84 2,-0.1 -30,-0.1 1,-0.0 -24,-0.1 -0.980 76.9 31.8-138.0 125.8 45.7 19.5 34.3 104 131 A P S S- 0 0 2 0, 0.0 2,-0.4 0, 0.0 -25,-0.1 0.552 110.0-119.8 -62.0 158.4 45.7 21.9 36.0 105 132 A P - 0 0 54 0, 0.0 -23,-1.1 0, 0.0 2,-0.2 -0.629 16.1-141.9 -81.1 124.0 49.3 20.9 37.0 106 133 A M E -c 82 0A 19 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.597 18.6-178.2 -80.8 141.9 50.1 20.3 40.7 107 134 A V E + 0 0 32 -25,-2.8 89,-2.9 1,-0.4 90,-1.2 0.826 63.8 16.4-105.0 -74.8 53.5 21.6 41.8 108 135 A N E - d 0 197A 25 88,-0.2 -24,-2.8 87,-0.2 2,-0.6 -0.891 65.1-158.5-105.5 136.7 54.3 20.8 45.4 109 136 A L E -cd 84 198A 0 88,-2.9 90,-2.7 -2,-0.4 2,-0.6 -0.961 5.8-165.5-117.3 115.3 52.3 18.2 47.3 110 137 A I E -cd 85 199A 0 -26,-3.1 -24,-2.2 -2,-0.6 2,-0.7 -0.894 0.7-166.4-105.6 114.4 52.4 18.5 51.1 111 138 A S E -cd 86 200A 0 88,-3.5 90,-3.3 -2,-0.6 2,-0.9 -0.865 1.3-168.5-103.0 111.3 51.1 15.4 53.0 112 139 A V E S-cd 87 201A 7 -26,-2.5 -24,-2.4 -2,-0.7 -21,-0.2 -0.780 77.6 -28.2-102.7 91.6 50.5 16.0 56.7 113 140 A G S S+ 0 0 0 88,-1.9 -1,-0.2 -2,-0.9 89,-0.1 0.757 92.4 164.2 76.7 26.6 49.9 12.7 58.4 114 141 A G - 0 0 0 101,-0.3 2,-0.6 87,-0.2 103,-0.2 -0.304 39.9-129.9 -74.3 160.4 48.6 11.0 55.3 115 142 A Q > + 0 0 6 -27,-0.2 3,-1.7 1,-0.1 100,-0.2 -0.662 31.9 168.8-113.7 78.5 48.3 7.2 54.9 116 143 A H T 3 S+ 0 0 0 98,-1.3 -1,-0.1 -2,-0.6 99,-0.1 0.634 84.4 35.8 -64.8 -15.3 50.0 6.4 51.6 117 144 A Q T 3 S- 0 0 12 1,-0.4 -1,-0.3 97,-0.3 98,-0.1 0.155 113.9-123.2-120.9 15.9 50.1 2.6 52.3 118 145 A G < - 0 0 0 -3,-1.7 -1,-0.4 96,-0.2 2,-0.3 -0.341 31.5 -77.3 77.9-159.5 46.7 2.6 54.1 119 146 A V B -f 159 0B 21 39,-1.5 41,-2.6 36,-0.2 90,-0.1 -0.960 25.1-171.7-141.6 157.3 46.1 1.4 57.6 120 147 A F + 0 0 0 90,-3.4 2,-0.2 -2,-0.3 17,-0.1 -0.514 65.0 42.8-149.6 73.4 45.7 -2.0 59.5 121 148 A G S S- 0 0 7 16,-0.1 89,-0.3 87,-0.1 13,-0.1 -0.835 78.2 -95.0 162.6 162.1 44.6 -1.4 63.0 122 149 A L > - 0 0 61 3,-0.4 3,-2.0 -2,-0.2 87,-0.0 -0.770 49.6 -84.9-104.7 149.2 42.3 0.7 65.1 123 150 A P T 3 S- 0 0 74 0, 0.0 85,-0.2 0, 0.0 -1,-0.1 -0.198 111.1 -1.6 -49.9 127.1 43.0 4.0 66.9 124 151 A R T 3 S+ 0 0 168 83,-2.3 84,-0.1 1,-0.1 85,-0.0 0.691 105.0 112.2 63.4 21.0 44.5 3.5 70.4 125 152 A b < - 0 0 34 -3,-2.0 -3,-0.4 82,-0.3 -1,-0.1 -0.471 49.7-169.7-123.6 62.6 44.3 -0.2 70.0 126 153 A P - 0 0 68 0, 0.0 8,-0.2 0, 0.0 7,-0.2 -0.233 11.7-154.7 -53.1 130.9 47.9 -1.6 69.7 127 154 A G S > S+ 0 0 8 6,-0.2 3,-0.7 1,-0.2 7,-0.2 0.658 75.7 83.2 -84.8 -15.1 48.0 -5.2 68.7 128 155 A E T 3 S+ 0 0 117 1,-0.2 -1,-0.2 98,-0.1 98,-0.0 0.949 109.8 14.9 -53.0 -58.6 51.4 -6.1 70.2 129 156 A S T 3 S+ 0 0 119 -3,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.022 114.7 77.8-110.3 29.1 50.1 -6.8 73.8 130 157 A S <> - 0 0 32 -3,-0.7 4,-1.5 1,-0.1 5,-0.1 -0.932 49.8-168.5-143.0 117.2 46.4 -7.1 73.3 131 158 A H H > S+ 0 0 148 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.875 90.2 51.1 -68.7 -41.2 44.5 -10.1 71.9 132 159 A I H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 109.4 50.0 -64.1 -47.5 41.1 -8.3 71.4 133 160 A b H > S+ 0 0 16 1,-0.2 4,-1.2 -7,-0.2 -1,-0.2 0.908 113.0 48.3 -56.8 -42.1 42.6 -5.4 69.5 134 161 A D H X S+ 0 0 34 -4,-1.5 4,-1.6 -8,-0.2 -1,-0.2 0.849 106.4 55.4 -68.4 -37.2 44.4 -7.9 67.2 135 162 A F H X S+ 0 0 129 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.939 103.3 56.3 -61.8 -48.8 41.4 -10.1 66.5 136 163 A I H >X S+ 0 0 64 -4,-1.8 4,-2.1 1,-0.2 3,-1.0 0.922 107.6 44.4 -51.1 -56.7 39.3 -7.2 65.2 137 164 A R H 3< S+ 0 0 8 -4,-1.2 4,-0.3 1,-0.3 3,-0.3 0.944 114.2 48.8 -58.6 -48.5 41.6 -6.0 62.5 138 165 A K H 3< S+ 0 0 92 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.615 116.6 46.4 -65.9 -11.9 42.4 -9.5 61.1 139 166 A T H X< S+ 0 0 57 -3,-1.0 3,-1.1 -4,-0.9 4,-0.5 0.734 94.1 68.5-103.2 -27.0 38.7 -10.2 61.1 140 167 A L T 3X S+ 0 0 79 -4,-2.1 4,-4.4 -3,-0.3 5,-0.3 0.494 76.9 93.3 -71.8 0.9 37.1 -7.2 59.5 141 168 A N H 3> S+ 0 0 22 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.877 80.7 51.7 -62.8 -37.3 38.8 -8.3 56.3 142 169 A A H <4 S+ 0 0 88 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.917 120.0 38.3 -64.5 -39.2 35.7 -10.2 55.2 143 170 A G H >4 S+ 0 0 35 -4,-0.5 3,-1.9 2,-0.2 6,-0.2 0.965 113.0 51.9 -74.1 -55.8 33.8 -7.0 55.8 144 171 A A H 3< S+ 0 0 14 -4,-4.4 -3,-0.2 1,-0.3 -2,-0.2 0.804 115.8 42.4 -52.4 -35.3 36.2 -4.4 54.6 145 172 A Y T 3< S+ 0 0 13 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.3 0.367 82.3 121.4 -97.4 6.5 36.6 -6.1 51.3 146 173 A N S X> S- 0 0 82 -3,-1.9 4,-2.7 -4,-0.1 3,-0.5 -0.545 70.8-124.7 -69.1 130.8 33.0 -7.0 50.7 147 174 A K H 3> S+ 0 0 165 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.825 107.5 47.1 -45.1 -47.2 31.9 -5.3 47.5 148 175 A A H 3> S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.870 114.4 47.3 -67.7 -37.8 29.0 -3.3 48.9 149 176 A I H X> S+ 0 0 45 -3,-0.5 4,-1.7 -6,-0.2 3,-1.3 0.918 104.0 62.1 -68.6 -44.5 31.1 -2.1 51.9 150 177 A Q H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 107.9 42.0 -51.2 -37.0 34.0 -1.1 49.6 151 178 A E H 3< S+ 0 0 98 -4,-1.1 -91,-0.5 -3,-0.2 -1,-0.3 0.549 119.4 42.1 -92.3 -7.2 32.0 1.5 47.7 152 179 A R H << S+ 0 0 137 -3,-1.3 2,-0.5 -4,-0.5 -2,-0.2 0.492 104.1 68.5-113.2 -9.6 30.1 3.0 50.7 153 180 A L X - 0 0 40 -4,-1.7 4,-1.0 1,-0.2 -95,-0.2 -0.947 56.1-164.3-121.3 118.1 32.8 3.2 53.2 154 181 A V T >4 S+ 0 0 0 -97,-1.9 3,-1.1 -2,-0.5 4,-0.3 0.945 92.6 51.1 -59.7 -51.8 35.8 5.6 52.9 155 182 A Q G >4 S+ 0 0 73 -98,-0.3 3,-1.8 1,-0.3 4,-0.3 0.881 104.8 57.6 -54.5 -43.5 37.9 3.9 55.6 156 183 A A G >4 S+ 0 0 5 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.815 94.3 69.4 -58.1 -29.9 37.5 0.6 53.9 157 184 A E G << S+ 0 0 0 -3,-1.1 18,-2.3 -4,-1.0 17,-0.4 0.578 111.4 28.2 -68.8 -11.5 38.9 2.1 50.7 158 185 A Y G < S+ 0 0 14 -3,-1.8 -39,-1.5 -4,-0.3 2,-0.4 0.146 84.7 127.3-132.8 19.9 42.4 2.3 52.2 159 186 A W B < -f 119 0B 24 -3,-1.1 2,-0.6 -4,-0.3 -39,-0.2 -0.652 44.4-161.9 -75.8 125.9 42.3 -0.5 54.7 160 187 A H - 0 0 4 -41,-2.6 5,-0.1 -2,-0.4 -3,-0.0 -0.904 8.9-161.0-122.0 105.1 45.4 -2.6 53.8 161 188 A D - 0 0 3 -2,-0.6 7,-0.3 3,-0.2 6,-0.1 -0.761 7.6-176.8 -88.1 112.4 45.6 -6.2 55.1 162 189 A P S > S+ 0 0 0 0, 0.0 61,-2.2 0, 0.0 3,-0.7 0.742 79.2 58.1 -78.5 -29.1 49.2 -7.4 55.0 163 190 A I T 3 S+ 0 0 73 1,-0.3 2,-0.5 59,-0.2 3,-0.2 0.946 121.4 26.3 -68.3 -47.9 48.5 -11.0 56.2 164 191 A R T 3> S+ 0 0 133 1,-0.2 4,-1.2 2,-0.1 3,-0.4 -0.642 76.2 159.3-114.9 73.1 46.2 -11.6 53.2 165 192 A E H <> + 0 0 22 -3,-0.7 4,-2.6 -2,-0.5 -1,-0.2 0.788 67.1 62.0 -67.2 -29.2 47.6 -9.2 50.7 166 193 A D H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 102.9 50.5 -67.7 -33.1 46.1 -10.9 47.6 167 194 A I H > S+ 0 0 57 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.887 111.7 49.6 -68.6 -36.0 42.6 -10.3 48.9 168 195 A Y H X S+ 0 0 0 -4,-1.2 4,-1.8 -7,-0.3 -2,-0.2 0.904 110.0 50.7 -67.5 -41.0 43.6 -6.7 49.4 169 196 A R H < S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.9 43.2 -64.9 -40.1 45.0 -6.5 45.9 170 197 A N H < S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.709 123.0 32.5 -82.0 -19.3 41.8 -7.9 44.2 171 198 A H H < S+ 0 0 92 -4,-1.4 2,-0.5 -5,-0.2 -2,-0.2 0.668 82.8 100.9-115.7 -17.0 39.2 -6.0 46.1 172 199 A S < - 0 0 0 -4,-1.8 5,-0.2 -5,-0.2 -15,-0.1 -0.591 46.7-168.7 -72.8 119.1 40.4 -2.5 47.1 173 200 A I S S+ 0 0 42 -2,-0.5 -1,-0.2 3,-0.1 -16,-0.1 0.544 78.2 21.9 -85.7 -6.9 38.9 -0.0 44.7 174 201 A F S >> S+ 0 0 0 -17,-0.4 4,-2.2 3,-0.1 3,-0.7 0.640 123.2 36.6-120.6 -75.1 41.0 2.9 45.7 175 202 A L H 3> S+ 0 0 0 -18,-2.3 4,-1.6 1,-0.3 6,-0.2 0.890 117.6 52.6 -51.3 -46.1 44.3 2.4 47.5 176 203 A A H 34>S+ 0 0 0 -19,-0.2 5,-2.1 1,-0.2 6,-0.4 0.841 110.3 49.6 -61.3 -33.9 45.1 -0.7 45.4 177 204 A D H X45S+ 0 0 43 -3,-0.7 3,-1.5 1,-0.2 -2,-0.2 0.972 113.3 42.2 -70.5 -52.6 44.5 1.2 42.2 178 205 A I H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.673 111.8 56.7 -70.3 -14.4 46.7 4.2 43.0 179 206 A N T 3<5S- 0 0 1 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.289 109.5-121.1 -98.6 12.5 49.4 2.1 44.5 180 207 A Q T X 5 + 0 0 4 -3,-1.5 3,-0.6 1,-0.1 -3,-0.2 0.847 60.5 148.2 55.8 40.0 49.8 0.0 41.3 181 208 A E T 3 < + 0 0 35 -5,-2.1 -4,-0.1 1,-0.2 3,-0.1 0.619 69.3 46.7 -80.4 -12.8 49.0 -3.3 42.9 182 209 A R T 3 S- 0 0 123 1,-0.5 -1,-0.2 -6,-0.4 -2,-0.1 -0.322 131.1 -47.1-122.1 49.7 47.3 -4.8 39.8 183 210 A G S < S- 0 0 57 -3,-0.6 -1,-0.5 2,-0.1 2,-0.4 0.063 78.5 -68.2 99.1 146.1 49.8 -3.9 37.1 184 211 A V - 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