==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FATTY ACID-BINDING PROTEIN 23-JAN-09 3FYS . COMPND 2 MOLECULE: PROTEIN DEGV; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.NAN,Y.F.ZHOU,C.YANG . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 11.3 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 . 3 1.1 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 0 1 4 0 1 0 2 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 1 1 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 1 1 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 1 1 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 0 A S 0 0 145 0, 0.0 2,-0.1 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 -96.9 -15.9 22.1 1.9 2 1 A M - 0 0 72 138,-0.4 2,-0.5 1,-0.1 79,-0.1 -0.341 360.0-122.8 -79.8 148.4 -12.3 20.7 1.8 3 2 A N - 0 0 95 -2,-0.1 79,-2.3 77,-0.1 80,-1.9 -0.755 26.0-165.6 -89.3 125.9 -11.2 17.2 0.9 4 3 A I E -a 83 0A 8 -2,-0.5 80,-0.2 78,-0.2 2,-0.2 -0.944 2.9-159.4-118.5 122.2 -9.1 15.4 3.5 5 4 A A E -a 84 0A 2 78,-3.3 80,-3.0 -2,-0.5 2,-0.4 -0.580 12.1-137.9 -89.8 161.3 -7.1 12.3 2.8 6 5 A V E -ab 85 24A 3 17,-0.6 19,-2.5 78,-0.2 2,-0.3 -0.990 20.8-179.9-123.7 127.5 -6.0 9.9 5.6 7 6 A V E +ab 86 25A 0 78,-3.6 80,-3.2 -2,-0.4 2,-0.3 -0.921 4.9 172.7-119.6 148.2 -2.5 8.3 5.7 8 7 A T E -ab 87 26A 2 17,-1.6 19,-1.7 -2,-0.3 80,-0.2 -0.967 32.6-111.3-141.8 159.6 -1.0 5.9 8.2 9 8 A D E > - b 0 27A 1 78,-1.2 3,-1.6 -2,-0.3 4,-0.2 -0.442 38.0-100.4 -85.8 167.4 2.3 4.0 8.2 10 9 A S G > S+ 0 0 4 17,-2.0 3,-2.6 1,-0.3 4,-0.2 0.811 112.5 74.0 -56.2 -32.6 2.5 0.3 7.8 11 10 A T G 3 S+ 0 0 0 1,-0.3 110,-1.4 2,-0.1 -1,-0.3 0.539 77.8 75.4 -69.8 -4.8 3.0 -0.4 11.5 12 11 A A G < S- 0 0 0 -3,-1.6 113,-0.4 108,-0.2 -1,-0.3 0.742 89.9-152.3 -68.6 -25.4 -0.6 0.4 12.1 13 12 A Y < + 0 0 2 -3,-2.6 248,-0.2 -4,-0.2 109,-0.1 0.808 27.0 168.8 54.3 39.0 -1.2 -3.1 10.6 14 13 A I - 0 0 2 -4,-0.2 -1,-0.2 107,-0.1 5,-0.1 -0.661 46.3-102.6 -75.4 129.1 -4.7 -2.3 9.3 15 14 A P >> - 0 0 32 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.313 27.7-123.2 -56.4 138.0 -5.8 -5.2 7.0 16 15 A K H 3> S+ 0 0 114 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.829 111.3 53.1 -54.5 -38.4 -5.4 -4.0 3.4 17 16 A E H 3> S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.823 109.7 49.8 -64.5 -32.1 -9.1 -4.8 2.6 18 17 A M H <> S+ 0 0 34 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.834 107.0 53.7 -77.4 -35.5 -10.1 -2.6 5.5 19 18 A R H X>S+ 0 0 32 -4,-2.1 5,-2.8 2,-0.2 4,-0.7 0.859 109.2 49.7 -63.8 -37.0 -7.9 0.2 4.4 20 19 A E H ><5S+ 0 0 120 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.937 108.7 52.5 -66.9 -47.2 -9.6 0.0 1.0 21 20 A Q H 3<5S+ 0 0 130 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.891 118.8 36.2 -49.9 -43.5 -13.0 0.1 2.7 22 21 A H H 3<5S- 0 0 67 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.342 108.5-114.9-105.1 6.2 -12.0 3.2 4.7 23 22 A Q T <<5 + 0 0 118 -3,-0.9 2,-0.7 -4,-0.7 -17,-0.6 0.896 58.1 157.5 68.2 39.9 -9.9 5.1 2.2 24 23 A I E < -b 6 0A 8 -5,-2.8 -1,-0.2 -6,-0.1 -17,-0.2 -0.887 26.5-158.3-106.0 114.7 -6.8 4.8 4.2 25 24 A H E -b 7 0A 65 -19,-2.5 -17,-1.6 -2,-0.7 2,-0.4 -0.503 12.8-151.9 -81.4 156.7 -3.5 5.2 2.3 26 25 A M E -b 8 0A 25 -19,-0.2 -17,-0.2 -2,-0.2 -19,-0.0 -0.992 16.6-156.8-143.5 139.9 -0.3 3.7 3.8 27 26 A I E -b 9 0A 8 -19,-1.7 -17,-2.0 -2,-0.4 2,-0.2 -0.939 29.1-133.2-110.5 123.8 3.4 4.3 3.7 28 27 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 13,-0.1 -0.471 5.8-143.5 -83.7 146.6 5.6 1.3 4.5 29 28 A L - 0 0 3 -2,-0.2 11,-2.2 36,-0.1 2,-0.4 -0.571 30.8-109.0 -91.4 169.9 8.5 1.1 6.9 30 29 A Q E -DE 39 63B 37 33,-2.7 33,-2.2 9,-0.2 2,-0.5 -0.819 16.6-157.7-112.5 140.4 11.4 -1.1 6.0 31 30 A V E -DE 38 62B 0 7,-2.3 7,-2.8 -2,-0.4 2,-0.6 -0.966 21.0-149.3-109.6 124.7 12.7 -4.4 7.4 32 31 A V E +DE 37 61B 47 29,-3.4 29,-1.5 -2,-0.5 5,-0.3 -0.838 17.9 177.2-103.8 122.2 16.4 -4.9 6.5 33 32 A F - 0 0 15 3,-3.1 20,-0.0 -2,-0.6 25,-0.0 -0.496 47.9 -89.4-106.7-175.6 17.9 -8.4 6.0 34 33 A R S S+ 0 0 153 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.944 122.0 10.8 -65.1 -49.2 21.4 -9.4 5.1 35 34 A E S S+ 0 0 183 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.908 129.6 40.9 -86.9 -55.5 20.8 -9.4 1.3 36 35 A E - 0 0 102 -4,-0.0 -3,-3.1 2,-0.0 2,-0.5 -0.680 54.0-156.7-110.4 146.8 17.4 -7.7 1.0 37 36 A T E -D 32 0B 56 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.980 24.7-162.3-113.6 128.4 15.5 -4.8 2.5 38 37 A Y E -D 31 0B 60 -7,-2.8 -7,-2.3 -2,-0.5 2,-0.7 -0.800 25.5-124.5-111.2 152.2 11.6 -5.1 2.2 39 38 A R E >> -D 30 0B 77 -2,-0.3 4,-3.0 -9,-0.2 5,-0.7 -0.866 47.7-120.7 -85.6 114.6 8.7 -2.7 2.5 40 39 A E B 45S+f 44 0C 0 -11,-2.2 2,-2.3 -2,-0.7 5,-0.2 -0.172 84.1 9.7 -63.0 152.3 6.6 -4.5 5.2 41 40 A E T 45S+ 0 0 35 3,-2.9 -1,-0.2 1,-0.2 -25,-0.1 -0.317 130.5 52.9 77.2 -53.7 3.1 -5.6 4.5 42 41 A I T 45S+ 0 0 99 -2,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.966 128.4 15.8 -70.0 -55.5 3.4 -4.9 0.8 43 42 A E T <5S+ 0 0 89 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.568 135.1 33.5-100.0 -11.2 6.6 -6.9 0.2 44 43 A L B < -f 40 0C 8 -5,-0.7 -3,-2.9 -6,-0.0 220,-0.4 -0.877 67.5-157.4-150.2 114.2 6.7 -9.1 3.3 45 44 A D > - 0 0 58 -2,-0.3 4,-1.8 -5,-0.2 -3,-0.0 -0.324 35.1-103.5 -80.7 170.5 3.7 -10.4 5.3 46 45 A W H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.846 117.1 50.8 -72.6 -35.5 4.0 -11.4 9.0 47 46 A K H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 111.7 49.1 -66.5 -40.8 4.1 -15.2 8.6 48 47 A S H > S+ 0 0 39 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.876 108.6 55.7 -62.5 -38.4 6.9 -14.9 6.0 49 48 A F H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.974 111.6 39.3 -58.0 -57.1 8.8 -12.6 8.3 50 49 A Y H X S+ 0 0 5 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.800 118.8 50.3 -67.1 -27.0 8.9 -15.0 11.3 51 50 A E H X S+ 0 0 123 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.937 111.5 46.5 -73.8 -49.5 9.5 -17.9 8.9 52 51 A E H < S+ 0 0 66 -4,-3.2 6,-0.2 1,-0.2 -2,-0.2 0.860 111.8 52.8 -58.0 -40.6 12.4 -16.1 7.1 53 52 A V H ><>S+ 0 0 33 -4,-2.3 5,-2.0 -5,-0.2 3,-0.8 0.906 113.4 39.4 -68.4 -43.1 14.0 -15.0 10.4 54 53 A K H 3<5S+ 0 0 84 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.812 115.8 51.6 -80.2 -29.5 14.1 -18.4 12.1 55 54 A K T 3<5S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 -0.011 122.2 29.9 -99.1 29.9 15.1 -20.3 9.0 56 55 A H T < 5S- 0 0 105 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.208 102.9-119.4-157.7 6.4 18.0 -18.0 8.1 57 56 A N T 5 - 0 0 139 -4,-0.4 2,-0.2 -3,-0.2 -3,-0.2 0.940 49.2-176.8 41.7 57.3 19.1 -16.9 11.6 58 57 A E < - 0 0 26 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.592 29.0-162.7 -81.9 142.8 18.3 -13.3 10.6 59 58 A L - 0 0 121 -2,-0.2 -1,-0.1 -27,-0.1 209,-0.0 -0.645 28.5-164.9-117.5 72.9 19.0 -10.4 12.9 60 59 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.109 10.5-162.2 -61.4 151.2 16.8 -7.9 11.1 61 60 A T E -E 32 0B 74 -29,-1.5 -29,-3.4 110,-0.0 2,-0.3 -0.801 13.0-132.7-120.9 171.7 16.9 -4.2 11.6 62 61 A T E -E 31 0B 34 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.833 13.2-164.2-126.7 162.8 14.3 -1.6 10.7 63 62 A S E -E 30 0B 48 -33,-2.2 -33,-2.7 -2,-0.3 202,-0.0 -0.991 23.0-117.6-143.2 148.0 14.1 1.8 8.9 64 63 A Q - 0 0 60 -2,-0.3 -35,-0.1 -35,-0.2 3,-0.1 -0.236 55.0 -77.5 -68.8 170.5 11.6 4.6 8.7 65 64 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 -0.523 54.2 -99.5 -71.5 144.8 10.2 5.4 5.2 66 65 A P >> - 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.411 27.9-125.5 -58.4 133.3 12.6 7.4 2.9 67 66 A I H 3> S+ 0 0 63 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.835 110.4 64.8 -53.4 -31.3 11.5 11.0 3.0 68 67 A G H 3> S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.874 100.6 48.2 -57.0 -40.6 11.3 10.7 -0.7 69 68 A E H <> S+ 0 0 65 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.800 109.4 52.3 -74.6 -30.6 8.5 8.2 -0.6 70 69 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.963 110.8 48.0 -65.6 -50.9 6.5 10.3 1.9 71 70 A V H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.916 110.2 51.5 -54.9 -47.6 6.8 13.3 -0.4 72 71 A A H X S+ 0 0 56 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 110.2 49.4 -58.9 -39.3 5.7 11.3 -3.5 73 72 A L H X S+ 0 0 33 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.922 113.7 45.4 -67.4 -44.4 2.7 10.0 -1.7 74 73 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.916 111.8 51.5 -63.9 -46.9 1.6 13.5 -0.5 75 74 A E H < S+ 0 0 91 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.902 114.3 44.3 -57.2 -42.5 2.2 15.0 -4.0 76 75 A E H >< S+ 0 0 109 -4,-2.0 3,-1.9 -5,-0.2 4,-0.3 0.980 114.7 48.3 -66.6 -53.7 0.1 12.3 -5.5 77 76 A L H >X S+ 0 0 9 -4,-3.0 3,-2.0 1,-0.3 4,-1.3 0.853 102.0 65.7 -48.8 -41.5 -2.6 12.7 -2.8 78 77 A G T 3< S+ 0 0 10 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.569 82.9 74.4 -66.2 -11.1 -2.6 16.4 -3.3 79 78 A K T <4 S+ 0 0 148 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.687 116.9 18.1 -72.0 -17.9 -3.9 16.2 -6.8 80 79 A S T <4 S+ 0 0 84 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.460 122.3 59.4-128.4 -10.1 -7.3 15.3 -5.3 81 80 A Y < - 0 0 40 -4,-1.3 -77,-0.2 1,-0.1 -1,-0.1 -0.927 53.8-155.4-128.6 150.4 -7.1 16.5 -1.7 82 81 A D S S+ 0 0 79 -79,-2.3 29,-2.5 -2,-0.3 2,-0.3 0.794 84.1 15.8 -88.1 -34.3 -6.5 19.7 0.2 83 82 A A E -ac 4 111A 0 -80,-1.9 -78,-3.3 27,-0.2 2,-0.4 -0.975 61.4-148.5-142.1 152.4 -5.2 18.1 3.4 84 83 A V E -ac 5 112A 0 27,-2.7 29,-3.3 -2,-0.3 2,-0.8 -0.991 11.2-146.4-121.4 125.6 -3.9 14.8 4.7 85 84 A I E -ac 6 113A 0 -80,-3.0 -78,-3.6 -2,-0.4 2,-0.7 -0.823 24.9-164.5 -78.6 110.5 -4.3 13.4 8.2 86 85 A S E -ac 7 114A 0 27,-2.2 29,-3.1 -2,-0.8 2,-0.4 -0.856 3.9-167.1-108.0 104.5 -1.0 11.6 8.5 87 86 A I E +ac 8 115A 0 -80,-3.2 -78,-1.2 -2,-0.7 2,-0.3 -0.751 12.6 173.5-101.3 129.9 -1.0 9.1 11.4 88 87 A H E - c 0 116A 0 27,-2.3 29,-2.1 -2,-0.4 31,-0.4 -0.851 35.2 -90.1-137.4 163.5 2.2 7.5 12.7 89 88 A L S S- 0 0 6 -2,-0.3 8,-0.3 1,-0.2 31,-0.2 -0.219 76.4 -56.5 -62.2 160.5 3.9 5.3 15.3 90 89 A S >> - 0 0 0 29,-2.2 3,-1.5 1,-0.2 4,-1.1 -0.035 37.7-136.2 -48.0 136.5 5.3 7.1 18.4 91 90 A S T 34 S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.666 105.8 63.2 -62.3 -16.5 7.8 9.9 17.8 92 91 A G T 34 S+ 0 0 39 104,-0.5 -1,-0.2 1,-0.2 106,-0.1 0.591 110.3 35.0 -85.9 -12.8 9.7 8.4 20.7 93 92 A I T <4 S+ 0 0 21 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.504 125.4 23.6-116.3 -8.0 10.3 5.1 18.8 94 93 A S < - 0 0 14 -4,-1.1 3,-0.4 -5,-0.1 4,-0.3 -0.992 57.3-136.3-157.1 147.3 10.7 6.3 15.2 95 94 A G S > S+ 0 0 26 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.451 84.1 98.7 -79.1 -2.0 11.7 9.4 13.2 96 95 A T H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.924 78.4 52.1 -50.6 -53.7 8.7 8.7 10.9 97 96 A F H 3> S+ 0 0 49 -3,-0.4 4,-1.8 -8,-0.3 3,-0.4 0.920 110.6 46.8 -49.1 -53.5 6.4 11.2 12.6 98 97 A S H 3> S+ 0 0 69 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.696 108.9 56.2 -67.4 -20.1 9.0 14.1 12.3 99 98 A S H < S+ 0 0 45 -4,-1.8 3,-1.0 1,-0.2 4,-0.4 0.912 114.3 46.1 -63.4 -45.6 6.1 17.0 9.5 102 101 A A H >< S+ 0 0 51 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.739 105.3 62.1 -71.5 -23.9 9.3 17.9 7.5 103 102 A A G >< S+ 0 0 0 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.597 88.9 73.1 -75.1 -12.7 7.7 16.6 4.3 104 103 A D G X S+ 0 0 52 -3,-1.0 3,-0.8 -4,-0.4 -1,-0.2 0.824 94.3 49.2 -73.4 -33.4 5.0 19.2 4.6 105 104 A S G < S+ 0 0 103 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.442 106.6 60.2 -82.6 -0.1 7.3 22.0 3.6 106 105 A M G < S+ 0 0 91 -3,-0.7 2,-0.4 1,-0.1 -1,-0.2 0.383 97.9 64.8-107.7 -0.6 8.4 19.9 0.7 107 106 A V < - 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0 0 32 1,-0.1 4,-1.7 -140,-0.1 5,-0.1 -0.935 58.6-159.4-107.5 123.9 -12.0 20.6 9.3 142 141 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.883 98.0 55.0 -64.3 -34.0 -8.6 18.8 9.5 143 142 A E H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 104.8 50.5 -64.6 -44.3 -8.2 20.7 12.8 144 143 A D H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 109.9 51.7 -62.6 -37.6 -11.4 19.3 14.3 145 144 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.922 110.1 48.2 -63.6 -45.8 -10.4 15.8 13.3 146 145 A I H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.910 109.7 52.3 -59.9 -46.0 -7.0 16.3 15.1 147 146 A K H X S+ 0 0 127 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.905 109.8 51.0 -54.4 -43.1 -8.8 17.6 18.2 148 147 A E H X S+ 0 0 86 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.900 110.4 47.8 -60.5 -45.2 -11.0 14.5 18.0 149 148 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 108.9 53.1 -66.3 -42.1 -7.9 12.2 17.8 150 149 A E H < S+ 0 0 87 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.861 110.2 48.3 -64.1 -35.6 -6.1 13.9 20.7 151 150 A E H >< S+ 0 0 113 -4,-1.8 3,-1.3 -5,-0.2 4,-0.3 0.917 110.2 51.4 -67.0 -44.9 -9.2 13.5 22.9 152 151 A M H >X S+ 0 0 19 -4,-2.1 3,-1.5 1,-0.3 4,-0.7 0.820 99.3 66.1 -60.5 -33.4 -9.4 9.8 21.9 153 152 A K T 3< S+ 0 0 29 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.731 86.2 72.8 -59.4 -24.4 -5.8 9.4 22.8 154 153 A K T <4 S+ 0 0 126 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.767 108.6 29.5 -62.6 -27.1 -6.7 10.1 26.5 155 154 A T T <4 S+ 0 0 45 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.378 87.0 116.1-122.0 2.1 -8.4 6.7 26.8 156 155 A V < - 0 0 14 -4,-0.7 2,-0.3 -3,-0.3 124,-0.2 -0.575 45.2-174.9 -66.9 132.4 -6.4 4.5 24.3 157 156 A R E +G 279 0D 90 122,-2.5 122,-2.4 -2,-0.3 2,-0.3 -0.989 13.5 177.5-133.4 146.1 -4.5 1.8 26.3 158 157 A A E +G 278 0D 17 -2,-0.3 35,-0.5 120,-0.2 2,-0.4 -0.980 4.4 177.3-148.2 134.2 -2.0 -0.9 25.4 159 158 A Y E +G 277 0D 20 118,-2.1 118,-2.5 -2,-0.3 2,-0.3 -0.996 15.2 171.4-133.1 137.3 -0.2 -3.5 27.4 160 159 A F E -GH 276 191D 18 31,-2.1 31,-3.1 -2,-0.4 2,-0.3 -0.969 18.8-154.7-146.3 161.1 2.2 -6.1 25.9 161 160 A M E -G 275 0D 11 114,-3.4 114,-2.4 -2,-0.3 2,-0.3 -0.925 10.6-146.5-133.7 157.6 4.7 -8.8 26.7 162 161 A V - 0 0 5 27,-0.4 3,-0.2 -2,-0.3 112,-0.1 -0.856 14.4-139.4-121.2 159.5 7.6 -10.3 24.8 163 162 A D S S+ 0 0 71 107,-0.4 2,-0.4 109,-0.3 -1,-0.1 0.896 95.7 22.3 -81.0 -46.9 9.1 -13.9 24.8 164 163 A D > - 0 0 87 106,-0.5 3,-0.8 108,-0.3 4,-0.5 -0.992 64.6-153.4-126.9 128.1 12.7 -12.8 24.8 165 164 A L T 3> S+ 0 0 12 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.645 83.4 85.1 -72.4 -13.1 13.8 -9.4 26.0 166 165 A A H 3> S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.816 81.4 56.7 -63.2 -36.6 16.8 -9.6 23.6 167 166 A H H <> S+ 0 0 57 -3,-0.8 4,-2.0 103,-0.2 -1,-0.2 0.931 110.7 43.0 -61.7 -49.1 15.0 -8.3 20.5 168 167 A L H >>S+ 0 0 1 -4,-0.5 4,-1.3 102,-0.3 5,-0.7 0.926 113.4 52.8 -61.4 -45.7 13.9 -5.0 22.2 169 168 A Q H <5S+ 0 0 54 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.908 110.9 48.7 -53.7 -43.9 17.3 -4.7 23.8 170 169 A R H <5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 108.6 50.6 -68.6 -39.3 18.9 -5.0 20.4 171 170 A G H <5S- 0 0 19 -4,-2.0 -1,-0.2 98,-0.2 -2,-0.2 0.620 105.8-125.6 -78.2 -15.8 16.6 -2.5 18.6 172 171 A G T ><5S+ 0 0 30 -4,-1.3 3,-1.5 -3,-0.4 4,-0.3 0.390 74.3 120.3 94.8 -1.6 17.3 0.2 21.2 173 172 A R T 3 S+ 0 0 0 -6,-0.5 4,-2.3 -5,-0.2 -1,-0.3 0.179 78.6 98.2-107.6 10.0 14.3 0.1 25.8 175 174 A S H <> S+ 0 0 69 -3,-1.5 4,-3.0 2,-0.2 5,-0.2 0.962 81.0 46.4 -63.1 -57.4 17.0 2.8 26.0 176 175 A S H > S+ 0 0 66 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.947 114.2 48.1 -47.5 -58.9 14.9 5.5 27.6 177 176 A A H > S+ 0 0 4 21,-0.6 4,-2.8 1,-0.2 3,-0.3 0.929 115.9 43.8 -49.3 -51.8 13.4 3.2 30.2 178 177 A Q H X S+ 0 0 30 -4,-2.3 4,-1.4 1,-0.3 5,-0.4 0.820 108.3 58.3 -70.1 -30.4 16.8 1.7 31.1 179 178 A A H < S+ 0 0 81 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.861 112.8 41.4 -61.8 -35.6 18.3 5.2 31.1 180 179 A F H < S+ 0 0 187 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.899 112.3 51.5 -80.0 -43.3 15.7 6.0 33.8 181 180 A I H < S- 0 0 79 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.762 105.4-132.6 -60.0 -25.7 16.0 2.7 35.7 182 181 A G S < S+ 0 0 66 -4,-1.4 2,-0.2 1,-0.2 -3,-0.1 0.386 74.1 41.7 85.0 -3.4 19.7 3.4 35.8 183 182 A S S S- 0 0 72 -5,-0.4 2,-0.4 0, 0.0 -1,-0.2 -0.838 94.6 -55.3-156.0-164.2 20.5 -0.1 34.7 184 183 A L - 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