==== 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 07-AUG-04 1U8U . COMPND 2 MOLECULE: ACYL-COA THIOESTERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-C.LO,S.-C.LIN,Y.-C.LIAW . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 2 1 0 0 1 0 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 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 1 A A 0 0 131 0, 0.0 34,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 98.1 24.3 12.1 43.4 2 2 A D E -a 35 0A 69 32,-0.5 34,-3.0 61,-0.1 2,-0.5 -0.401 360.0-132.8 -75.8 152.4 20.8 12.3 44.9 3 3 A T E -a 36 0A 23 59,-0.3 61,-1.7 32,-0.2 62,-1.5 -0.919 14.1-163.8-118.9 128.8 18.7 15.4 44.6 4 4 A L E -ab 37 65A 0 32,-3.6 34,-3.0 -2,-0.5 2,-0.4 -0.921 17.8-159.7-102.4 117.9 16.7 17.4 47.2 5 5 A L E -ab 38 66A 0 60,-2.5 62,-2.7 -2,-0.6 2,-0.6 -0.841 3.7-150.7 -99.4 135.0 14.3 19.7 45.4 6 6 A I E -ab 39 67A 0 32,-3.1 34,-2.0 -2,-0.4 2,-0.8 -0.934 9.8-171.3-111.8 115.4 13.0 22.6 47.4 7 7 A L E + b 0 68A 0 60,-2.5 62,-2.8 -2,-0.6 2,-0.2 -0.852 40.3 112.4-105.9 96.6 9.6 23.8 46.3 8 8 A G E - b 0 69A 0 -2,-0.8 34,-1.7 32,-0.4 62,-0.2 -0.776 54.8-108.3-150.2-168.7 9.0 27.0 48.2 9 9 A D >> - 0 0 4 60,-0.9 4,-3.3 32,-0.3 3,-1.8 -0.083 68.3 -47.0-112.4-151.4 8.5 30.8 48.4 10 10 A S H 3> S+ 0 0 6 32,-0.4 4,-3.1 1,-0.3 33,-0.2 0.846 126.7 68.4 -56.9 -31.3 10.5 33.8 49.5 11 11 A L H 34 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.856 117.7 24.3 -57.8 -29.2 11.3 32.0 52.8 12 12 A S H <4 S+ 0 0 0 -3,-1.8 -2,-0.2 57,-0.2 -1,-0.2 0.743 125.0 49.7-103.3 -31.8 13.4 29.6 50.7 13 13 A A H < S- 0 0 16 -4,-3.3 9,-0.3 27,-0.1 -3,-0.2 0.782 113.3-114.3 -77.2 -27.0 14.2 31.8 47.7 14 14 A G < - 0 0 6 -4,-3.1 2,-0.6 -5,-0.4 3,-0.2 0.174 19.6-111.3 100.0 137.4 15.4 34.7 49.8 15 15 A Y S S- 0 0 58 143,-0.4 3,-0.1 1,-0.2 145,-0.1 -0.917 90.9 -12.9-111.1 119.1 13.7 38.1 50.1 16 16 A R S S+ 0 0 189 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.871 119.6 88.7 61.0 37.7 15.5 41.1 48.7 17 17 A M S S- 0 0 26 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 -0.936 85.4 -92.4-150.9 165.8 18.7 39.1 48.4 18 18 A S >> - 0 0 62 -2,-0.3 3,-1.2 1,-0.1 4,-0.7 -0.389 36.3-111.4 -79.5 165.8 20.2 36.9 45.6 19 19 A A G >4 S+ 0 0 65 1,-0.3 3,-0.9 2,-0.2 6,-0.5 0.859 117.2 64.2 -65.4 -33.2 19.5 33.2 45.5 20 20 A S G 34 S+ 0 0 89 1,-0.2 -1,-0.3 5,-0.1 -6,-0.1 0.716 103.0 48.8 -62.4 -20.5 23.2 32.7 46.3 21 21 A A G <4 S+ 0 0 26 -3,-1.2 -1,-0.2 4,-0.1 -2,-0.2 0.648 91.1 98.4 -93.0 -15.7 22.7 34.4 49.6 22 22 A A S XX S- 0 0 0 -3,-0.9 3,-1.5 -4,-0.7 4,-1.1 -0.394 87.7-108.4 -73.1 150.6 19.6 32.3 50.6 23 23 A W H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.783 112.7 63.8 -51.5 -37.2 20.0 29.4 53.0 24 24 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.861 103.8 49.7 -57.6 -34.9 19.4 26.6 50.3 25 25 A A H <> S+ 0 0 28 -3,-1.5 4,-1.5 -6,-0.5 -2,-0.2 0.874 111.7 47.7 -69.4 -37.6 22.5 27.8 48.5 26 26 A L H X S+ 0 0 45 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.852 111.8 50.2 -70.7 -33.5 24.5 27.7 51.8 27 27 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.885 107.5 53.3 -71.4 -39.1 23.1 24.2 52.6 28 28 A N H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.870 106.3 56.1 -62.5 -35.0 24.1 23.0 49.1 29 29 A D H >< S+ 0 0 96 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.926 110.5 41.1 -62.2 -47.8 27.6 24.3 50.0 30 30 A K H 3< S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.654 112.0 56.2 -77.5 -13.7 28.0 22.2 53.1 31 31 A W T >X S+ 0 0 25 -4,-1.3 4,-1.6 -5,-0.1 3,-1.4 -0.086 81.9 152.0-103.6 30.4 26.4 19.2 51.4 32 32 A Q T <4 S+ 0 0 146 -3,-1.0 -3,-0.1 1,-0.3 4,-0.1 -0.438 70.4 4.1 -66.3 129.6 29.0 19.5 48.7 33 33 A S T 34 S+ 0 0 115 -2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.880 127.9 70.4 62.0 37.0 29.9 16.2 47.1 34 34 A K T <4 S- 0 0 160 -3,-1.4 -32,-0.5 1,-0.3 2,-0.4 0.346 105.1 -4.0-140.2 -72.9 27.1 14.6 49.1 35 35 A T E < -a 2 0A 18 -4,-1.6 2,-0.5 -7,-0.1 -1,-0.3 -0.986 64.7-126.2-134.2 142.9 23.6 15.6 48.1 36 36 A S E -a 3 0A 46 -34,-3.0 -32,-3.6 -2,-0.4 2,-0.6 -0.786 18.2-157.7 -94.1 129.2 22.4 18.1 45.5 37 37 A V E -a 4 0A 13 -2,-0.5 2,-0.6 -34,-0.2 -32,-0.2 -0.919 5.1-167.2-108.4 118.2 20.0 20.9 46.7 38 38 A V E -a 5 0A 30 -34,-3.0 -32,-3.1 -2,-0.6 2,-1.1 -0.929 9.9-151.3-108.7 115.9 17.9 22.4 43.9 39 39 A N E +a 6 0A 50 -2,-0.6 2,-0.5 -34,-0.2 -32,-0.1 -0.730 23.8 167.3 -91.4 97.1 16.2 25.6 45.0 40 40 A A + 0 0 13 -34,-2.0 -32,-0.4 -2,-1.1 2,-0.3 -0.459 33.1 127.5-105.4 59.5 13.0 26.0 43.0 41 41 A S - 0 0 14 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.3 -0.887 37.5-166.8-117.3 149.5 11.5 28.7 45.1 42 42 A I > - 0 0 80 -34,-1.7 3,-1.7 -2,-0.3 -32,-0.4 -0.999 29.2-108.6-136.2 133.9 10.1 32.0 44.0 43 43 A S T 3 S+ 0 0 55 -2,-0.4 -28,-0.0 -34,-0.3 -34,-0.0 -0.336 102.9 16.6 -61.0 140.3 9.1 35.0 46.1 44 44 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.364 85.5 152.0 80.2 -3.3 5.4 35.6 46.3 45 45 A D < - 0 0 9 -3,-1.7 28,-0.4 -37,-0.1 26,-0.4 -0.435 32.9-151.4 -66.4 125.2 4.5 32.1 45.1 46 46 A T > - 0 0 9 -2,-0.2 4,-1.9 27,-0.1 5,-0.2 -0.304 37.0 -95.5 -82.4 175.7 1.1 30.9 46.4 47 47 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.832 126.4 52.8 -65.4 -28.0 0.6 27.1 46.8 48 48 A Q H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 105.5 51.3 -73.2 -44.5 -1.0 27.0 43.4 49 49 A Q H > S+ 0 0 89 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.897 112.3 49.5 -59.1 -36.9 1.8 28.8 41.6 50 50 A G H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.949 110.0 48.3 -65.8 -48.5 4.1 26.2 43.2 51 51 A L H 3< S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 105.9 60.8 -58.9 -34.9 2.0 23.3 42.1 52 52 A A H 3< S+ 0 0 75 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.836 110.3 40.1 -63.1 -34.0 1.9 24.7 38.6 53 53 A R H S+ 0 0 66 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.908 109.2 44.9 -45.7 -52.9 5.5 18.7 37.2 56 56 A A H > S+ 0 0 56 -3,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.878 113.5 51.5 -60.8 -39.8 8.3 20.1 35.0 57 57 A L H X S+ 0 0 19 -4,-1.5 4,-3.3 2,-0.2 5,-0.4 0.912 109.7 47.6 -65.7 -43.8 10.7 20.2 38.0 58 58 A L H X S+ 0 0 17 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.987 114.2 48.5 -60.3 -53.1 10.1 16.5 38.9 59 59 A K H < S+ 0 0 179 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.922 120.0 36.5 -51.0 -52.1 10.6 15.6 35.3 60 60 A Q H < S+ 0 0 120 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.863 127.0 33.7 -74.6 -34.5 13.8 17.5 34.9 61 61 A H H < S- 0 0 59 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.652 78.5-155.0 -98.1 -14.6 15.4 17.0 38.4 62 62 A Q < - 0 0 170 -4,-2.9 -59,-0.3 -5,-0.4 -4,-0.1 0.886 28.1-163.5 36.5 57.4 14.2 13.5 39.2 63 63 A P - 0 0 9 0, 0.0 -59,-0.2 0, 0.0 -1,-0.1 -0.367 28.8-149.3 -71.2 144.4 14.6 14.3 43.0 64 64 A R S S+ 0 0 116 -61,-1.7 37,-3.2 1,-0.2 2,-0.3 0.859 88.1 19.5 -78.5 -36.2 14.7 11.7 45.7 65 65 A W E -bc 4 101A 6 -62,-1.5 -60,-2.5 35,-0.2 2,-0.5 -0.967 64.4-157.3-134.2 148.8 13.1 14.1 48.2 66 66 A V E -bc 5 102A 0 35,-2.4 37,-2.2 -2,-0.3 2,-0.7 -0.965 9.7-152.0-128.6 116.4 11.0 17.3 47.8 67 67 A L E -bc 6 103A 0 -62,-2.7 -60,-2.5 -2,-0.5 2,-0.6 -0.785 16.1-153.8 -87.1 117.1 10.9 19.8 50.7 68 68 A V E +bc 7 104A 0 35,-3.3 37,-2.3 -2,-0.7 2,-0.3 -0.832 24.0 166.4 -97.8 121.6 7.6 21.6 50.4 69 69 A E E +b 8 0A 0 -62,-2.8 -60,-0.9 -2,-0.6 2,-0.3 -0.712 33.1 117.3-133.7 79.4 7.4 25.1 51.9 70 70 A L + 0 0 1 -2,-0.3 -24,-0.1 35,-0.3 37,-0.1 -0.961 31.3 68.2-145.0 159.8 4.3 26.7 50.6 71 71 A G > + 0 0 0 -26,-0.4 4,-2.4 -2,-0.3 5,-0.3 -0.069 68.7 102.5 120.0 -29.2 1.0 28.2 51.9 72 72 A G H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 83.2 47.8 -54.9 -38.5 2.3 31.2 53.7 73 73 A N H > S+ 0 0 26 -28,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.868 110.2 54.1 -72.8 -33.9 1.4 33.7 50.9 74 74 A D H >4>S+ 0 0 2 2,-0.2 5,-2.7 -3,-0.2 3,-0.5 0.974 113.3 40.5 -60.4 -56.6 -2.1 32.2 50.7 75 75 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.858 112.9 56.0 -60.9 -36.4 -2.8 32.6 54.4 76 76 A L H 3<5S+ 0 0 46 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.825 111.4 43.9 -65.8 -30.9 -1.2 36.0 54.3 77 77 A R T <<5S- 0 0 158 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.242 119.0-111.0 -98.8 12.4 -3.6 37.0 51.6 78 78 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.678 56.6 166.8 69.7 20.5 -6.6 35.5 53.4 79 79 A F < - 0 0 70 -5,-2.7 -1,-0.1 -6,-0.2 3,-0.1 0.038 50.2 -82.4 -57.3 174.7 -7.2 32.6 50.9 80 80 A Q >> - 0 0 103 1,-0.2 4,-2.0 2,-0.0 3,-1.9 -0.750 31.4-150.1 -86.4 110.3 -9.5 29.8 51.8 81 81 A P H 3> S+ 0 0 23 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.801 99.7 61.7 -48.3 -30.5 -7.5 27.3 53.9 82 82 A Q H 3> S+ 0 0 131 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.893 107.6 43.7 -62.9 -39.0 -9.7 24.6 52.5 83 83 A Q H X> S+ 0 0 116 -3,-1.9 4,-2.4 2,-0.2 3,-0.5 0.975 112.5 49.9 -69.9 -57.1 -8.4 25.6 49.1 84 84 A T H 3X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.932 109.6 53.3 -46.8 -51.1 -4.7 25.8 50.2 85 85 A E H 3X S+ 0 0 24 -4,-3.0 4,-1.6 1,-0.2 -1,-0.3 0.879 108.1 50.8 -53.7 -40.3 -5.1 22.3 51.8 86 86 A Q H S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 -1,-0.2 0.946 113.4 46.2 -59.2 -50.9 5.7 14.0 44.6 96 96 A K H ><5S+ 0 0 92 -4,-2.7 3,-2.8 1,-0.2 -2,-0.2 0.951 111.8 50.2 -55.2 -55.6 4.7 10.5 45.6 97 97 A A H 3<5S+ 0 0 92 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 102.9 60.5 -53.8 -34.4 3.8 9.5 42.1 98 98 A A T 3<5S- 0 0 47 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.444 121.5-115.8 -73.3 3.7 7.1 10.8 41.0 99 99 A N T < 5S+ 0 0 153 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.794 74.9 131.5 64.9 29.9 8.4 8.1 43.4 100 100 A A < - 0 0 4 -5,-2.5 -1,-0.3 -6,-0.2 -35,-0.2 -0.748 63.0-111.9-110.7 160.3 9.9 10.9 45.5 101 101 A E E -c 65 0A 101 -37,-3.2 -35,-2.4 -2,-0.3 2,-0.1 -0.823 28.3-145.5 -96.9 114.7 9.7 11.5 49.3 102 102 A P E -c 66 0A 3 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.471 10.7-166.5 -74.4 144.9 7.7 14.6 50.3 103 103 A L E -c 67 0A 5 -37,-2.2 -35,-3.3 31,-0.1 2,-0.5 -0.974 12.0-152.2-134.6 116.0 8.8 16.5 53.3 104 104 A L E -cd 68 136A 2 31,-2.5 33,-2.5 -2,-0.4 2,-0.5 -0.790 1.4-150.4 -99.0 130.8 6.3 19.0 54.5 105 105 A M E - d 0 137A 1 -37,-2.3 -35,-0.3 -2,-0.5 2,-0.2 -0.843 21.2-123.5 -99.3 134.5 7.2 22.2 56.4 106 106 A Q - 0 0 12 31,-2.2 2,-0.4 -2,-0.5 34,-0.1 -0.515 27.3-157.7 -70.9 134.6 4.7 23.5 58.9 107 107 A I - 0 0 3 -2,-0.2 2,-0.4 15,-0.2 18,-0.2 -0.954 8.4-170.9-119.4 143.4 3.7 27.1 58.2 108 108 A R - 0 0 110 -2,-0.4 3,-0.1 13,-0.0 11,-0.1 -0.986 13.7-135.6-134.4 141.8 2.2 29.6 60.7 109 109 A L - 0 0 20 -2,-0.4 4,-0.1 9,-0.2 -37,-0.0 -0.432 37.8 -81.4 -91.9 165.5 0.7 33.1 60.2 110 110 A P > - 0 0 35 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.327 38.5-118.3 -63.9 147.3 1.2 36.2 62.2 111 111 A A G > S+ 0 0 95 1,-0.3 3,-1.2 2,-0.1 2,-0.6 0.806 109.4 72.2 -56.7 -29.7 -0.8 36.5 65.5 112 112 A N G 3 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 -0.021 78.3 79.5 -78.0 32.5 -2.5 39.6 64.0 113 113 A Y G < S- 0 0 74 -3,-0.8 4,-0.3 -2,-0.6 -1,-0.3 0.269 107.8 -95.7-119.0 5.5 -4.5 37.4 61.6 114 114 A G <> - 0 0 29 -3,-1.2 4,-2.1 3,-0.1 5,-0.2 0.346 22.4-106.6 88.4 139.5 -7.1 36.3 64.1 115 115 A R H > S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 115.3 54.8 -64.0 -47.0 -7.3 33.1 66.2 116 116 A R H > S+ 0 0 170 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.963 114.3 38.5 -51.6 -61.2 -10.0 31.6 64.1 117 117 A Y H > S+ 0 0 45 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.902 113.6 54.4 -58.4 -48.2 -8.2 31.8 60.8 118 118 A N H X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.868 107.7 50.2 -57.1 -39.6 -4.7 31.0 62.1 119 119 A E H X S+ 0 0 133 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.867 112.5 46.5 -68.2 -38.3 -5.9 27.7 63.7 120 120 A A H X S+ 0 0 46 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.894 115.1 46.9 -70.4 -42.3 -7.6 26.6 60.5 121 121 A F H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 4,-0.5 0.988 114.5 46.4 -61.3 -57.4 -4.6 27.6 58.4 122 122 A S H >< S+ 0 0 12 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.799 103.1 62.8 -54.8 -38.5 -2.1 25.9 60.7 123 123 A A H 3X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.715 86.1 76.5 -62.5 -24.4 -4.1 22.7 61.1 124 124 A I H S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.5 5,-0.2 0.936 110.2 43.1 -58.3 -56.2 -0.1 20.8 57.8 126 126 A P H > S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.913 115.6 54.4 -58.5 -38.2 -0.4 18.2 60.6 127 127 A K H X S+ 0 0 111 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.921 111.5 40.6 -59.9 -50.6 -3.5 17.0 58.7 128 128 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.877 113.4 55.4 -67.4 -37.5 -1.8 16.4 55.4 129 129 A A H X>S+ 0 0 10 -4,-2.6 5,-1.7 -5,-0.3 4,-0.8 0.870 112.5 42.0 -63.1 -38.3 1.2 15.0 57.1 130 130 A K H ><5S+ 0 0 183 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.954 113.4 54.5 -71.3 -50.0 -0.9 12.4 58.9 131 131 A E H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.893 122.6 26.3 -49.2 -49.2 -2.9 11.9 55.7 132 132 A F H 3<5S- 0 0 25 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.454 102.7-126.6 -96.9 -0.8 0.2 11.1 53.6 133 133 A D T <<5 + 0 0 147 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.940 58.9 146.6 55.4 50.9 2.3 9.8 56.5 134 134 A V < - 0 0 17 -5,-1.7 -1,-0.2 -6,-0.2 -31,-0.1 -0.794 57.2 -86.7-115.8 159.3 5.2 12.2 55.6 135 135 A P - 0 0 47 0, 0.0 -31,-2.5 0, 0.0 2,-0.6 -0.363 34.4-154.2 -62.6 140.8 7.7 14.1 57.8 136 136 A L E -d 104 0A 62 -33,-0.2 -31,-0.2 -31,-0.0 -33,-0.0 -0.919 11.9-155.4-118.1 99.4 6.3 17.4 59.1 137 137 A L E -d 105 0A 5 -33,-2.5 -31,-2.2 -2,-0.6 37,-0.0 -0.437 24.9-106.2 -72.3 149.8 9.3 19.6 59.7 138 138 A P - 0 0 61 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.254 43.3 -88.9 -69.3 168.4 8.8 22.4 62.3 139 139 A F > - 0 0 11 1,-0.2 3,-2.0 -34,-0.1 4,-0.4 -0.708 34.0-156.1 -82.7 107.0 8.5 26.0 61.0 140 140 A F T >> S+ 0 0 2 -2,-0.9 3,-1.3 1,-0.3 4,-1.0 0.781 86.6 71.1 -55.5 -28.2 12.0 27.3 60.9 141 141 A M H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.773 81.6 74.5 -59.8 -26.1 10.8 31.0 61.2 142 142 A E H <4 S+ 0 0 71 -3,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.857 100.2 42.3 -54.6 -38.8 9.8 30.3 64.8 143 143 A E H <4 S+ 0 0 98 -3,-1.3 3,-0.3 -4,-0.4 -1,-0.2 0.793 112.1 54.8 -77.2 -32.5 13.4 30.4 65.9 144 144 A V H >< S+ 0 0 4 -4,-1.0 3,-2.3 1,-0.2 6,-0.3 0.874 98.0 61.9 -69.5 -38.9 14.2 33.4 63.7 145 145 A Y T 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 93.9 65.6 -56.0 -28.7 11.4 35.5 65.3 146 146 A L T 3 S+ 0 0 123 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.501 98.2 58.3 -75.5 -4.2 13.2 35.2 68.6 147 147 A K X - 0 0 85 -3,-2.3 3,-2.9 1,-0.1 4,-0.2 -0.819 62.5-173.3-130.3 92.2 16.1 37.2 67.1 148 148 A P G > S+ 0 0 97 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.832 86.6 65.2 -50.8 -35.7 15.0 40.6 65.9 149 149 A Q G 3 S+ 0 0 120 1,-0.3 12,-0.2 -3,-0.1 13,-0.1 0.553 98.9 53.7 -66.6 -8.2 18.5 41.1 64.5 150 150 A W G < S+ 0 0 41 -3,-2.9 9,-2.5 -6,-0.3 2,-0.4 0.321 96.2 87.8-105.4 4.7 17.7 38.2 62.0 151 151 A M B < S-E 158 0B 28 -3,-1.8 2,-0.1 7,-0.3 9,-0.1 -0.840 71.5-131.0-109.4 144.6 14.5 39.8 60.7 152 152 A Q > - 0 0 37 5,-3.2 3,-2.3 -2,-0.4 4,-0.2 -0.391 43.0 -89.2 -81.2 164.9 14.0 42.3 57.9 153 153 A D T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.810 120.7 64.9 -43.3 -46.7 11.9 45.5 58.4 154 154 A D T 3 S- 0 0 65 1,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.614 101.2-128.6 -60.6 -10.3 8.6 43.9 57.5 155 155 A G S < S+ 0 0 48 -3,-2.3 -1,-0.1 2,-0.2 -2,-0.1 0.664 94.1 77.9 70.8 12.9 8.7 41.6 60.5 156 156 A I S S+ 0 0 58 1,-0.2 -1,-0.1 -4,-0.2 -3,-0.1 0.728 78.0 60.0-118.8 -45.9 8.1 38.8 58.0 157 157 A H S S- 0 0 22 -5,-0.0 -5,-3.2 1,-0.0 -2,-0.2 -0.706 74.9-123.6 -99.5 139.4 11.2 37.9 56.1 158 158 A P B -E 151 0B 5 0, 0.0 -143,-0.4 0, 0.0 -7,-0.3 -0.456 33.7-129.2 -71.3 147.2 14.5 36.6 57.6 159 159 A N >> - 0 0 31 -9,-2.5 4,-0.8 -2,-0.1 3,-0.6 -0.195 26.9 -90.0 -91.1-174.9 17.5 38.8 56.6 160 160 A R G >4 S+ 0 0 151 1,-0.2 3,-1.1 2,-0.2 -10,-0.1 0.920 123.5 57.3 -60.9 -46.4 21.0 38.0 55.1 161 161 A D G 34 S+ 0 0 112 1,-0.2 4,-0.4 -12,-0.2 -1,-0.2 0.756 103.6 55.2 -55.1 -29.6 22.6 37.5 58.5 162 162 A A G <> S+ 0 0 0 -3,-0.6 4,-2.7 -12,-0.2 3,-0.3 0.717 86.1 83.0 -78.0 -24.1 20.0 34.8 59.3 163 163 A Q H S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 113.3 49.3 -61.3 -35.0 23.7 30.7 57.6 165 165 A F H > S+ 0 0 104 -4,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.941 111.2 48.3 -66.7 -43.3 21.9 29.9 60.8 166 166 A I H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.904 109.7 54.6 -63.0 -36.5 18.8 28.7 59.0 167 167 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.937 109.8 46.3 -61.3 -45.7 21.1 26.6 56.7 168 168 A D H X S+ 0 0 64 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.951 113.6 47.4 -61.6 -49.6 22.6 24.9 59.8 169 169 A W H X S+ 0 0 56 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.906 112.9 50.1 -58.0 -42.1 19.3 24.3 61.4 170 170 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.909 107.8 52.5 -64.8 -41.9 17.9 22.9 58.2 171 171 A A H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 111.4 48.4 -57.4 -47.4 20.9 20.6 57.8 172 172 A K H < S+ 0 0 141 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.2 44.5 -59.6 -47.6 20.2 19.3 61.3 173 173 A Q H < S+ 0 0 70 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.893 117.2 45.2 -65.7 -38.5 16.5 18.7 60.6 174 174 A L H >< S+ 0 0 0 -4,-2.9 3,-0.6 -5,-0.2 4,-0.3 0.731 91.1 85.4 -79.1 -22.4 17.1 17.2 57.2 175 175 A Q G >< S+ 0 0 120 -4,-2.0 3,-2.5 1,-0.3 -1,-0.2 0.917 92.4 41.8 -43.6 -66.4 20.0 14.8 58.2 176 176 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.775 114.2 56.7 -56.6 -24.8 17.9 11.9 59.5 177 177 A L G < 0 0 55 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.383 360.0 360.0 -90.1 6.0 15.6 12.4 56.6 178 178 A V < 0 0 53 -3,-2.5 -143,-0.0 -4,-0.3 -174,-0.0 -0.877 360.0 360.0-135.9 360.0 18.4 12.0 53.9