==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 15-OCT-09 3K9G . COMPND 2 MOLECULE: PF-32 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 2 2 2 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 140 0, 0.0 116,-0.1 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 136.9 1.0 18.2 73.1 2 6 A P - 0 0 11 0, 0.0 2,-0.6 0, 0.0 120,-0.2 -0.327 360.0-118.1 -64.9 149.8 3.7 19.8 75.3 3 7 A K E -a 122 0A 86 118,-2.5 120,-2.1 140,-0.0 2,-0.5 -0.842 33.1-149.2 -82.9 125.4 7.2 18.3 75.6 4 8 A I E -a 123 0A 17 -2,-0.6 139,-3.0 118,-0.2 140,-2.0 -0.885 15.0-173.3-109.1 118.7 7.5 17.4 79.3 5 9 A I E -ab 124 144A 5 118,-3.4 120,-2.7 -2,-0.5 2,-0.5 -0.966 10.2-157.0-116.5 120.1 10.9 17.5 81.0 6 10 A T E -ab 125 145A 0 138,-2.6 140,-2.5 -2,-0.5 2,-0.6 -0.835 8.1-151.4 -90.6 129.4 11.6 16.3 84.5 7 11 A I E +ab 126 146A 1 118,-2.9 120,-1.4 -2,-0.5 2,-0.3 -0.939 33.7 169.9 -98.1 117.4 14.7 17.9 86.1 8 12 A A + 0 0 1 138,-2.1 2,-0.2 -2,-0.6 120,-0.1 -0.925 25.6 160.6-131.6 157.9 15.9 15.3 88.6 9 13 A S - 0 0 5 -2,-0.3 121,-0.1 119,-0.3 140,-0.1 -0.815 25.6-155.5-164.9 136.0 18.7 14.2 90.9 10 14 A I S S+ 0 0 40 -2,-0.2 2,-0.4 119,-0.2 121,-0.1 0.434 84.1 77.1 -92.5 4.5 18.8 11.9 93.9 11 15 A K S S- 0 0 39 119,-0.1 3,-0.4 144,-0.0 2,-0.1 -0.932 80.8-135.9-103.4 132.7 21.8 13.8 95.2 12 16 A G S S+ 0 0 61 -2,-0.4 -2,-0.1 1,-0.2 116,-0.0 -0.490 80.2 39.7 -76.9 155.1 21.1 17.1 96.9 13 17 A G S S+ 0 0 82 -2,-0.1 -1,-0.2 1,-0.1 136,-0.0 0.681 73.0 114.6 85.2 24.4 23.3 20.2 96.2 14 18 A V S S- 0 0 4 -3,-0.4 166,-0.1 134,-0.1 -2,-0.1 0.097 92.0-100.7-110.2 19.4 23.9 19.8 92.4 15 19 A G > + 0 0 31 3,-0.1 4,-1.9 165,-0.1 5,-0.1 0.913 69.3 152.3 57.2 43.5 22.0 23.0 91.2 16 20 A K H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.1 5,-0.1 0.986 74.7 38.7 -62.3 -55.6 18.9 20.9 90.3 17 21 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 114.1 54.3 -70.8 -35.0 16.5 23.8 90.9 18 22 A T H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 109.5 48.5 -59.4 -45.9 18.9 26.4 89.4 19 23 A S H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.916 110.1 52.9 -59.7 -42.7 19.1 24.4 86.2 20 24 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.876 111.4 45.5 -61.1 -44.3 15.3 24.1 86.1 21 25 A I H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.933 116.9 43.7 -64.5 -47.8 14.9 27.8 86.4 22 26 A I H X S+ 0 0 29 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 115.4 45.7 -69.5 -48.5 17.5 28.7 83.9 23 27 A L H X S+ 0 0 5 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.958 116.3 46.8 -59.9 -46.1 16.5 26.0 81.2 24 28 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.907 111.4 51.2 -60.9 -42.2 12.9 26.9 81.6 25 29 A T H < S+ 0 0 28 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.937 110.9 48.9 -63.3 -40.6 13.6 30.6 81.4 26 30 A L H >< S+ 0 0 30 -4,-2.8 3,-1.4 1,-0.2 4,-0.4 0.931 110.3 50.6 -64.6 -43.2 15.6 30.0 78.2 27 31 A L H >X S+ 0 0 5 -4,-2.7 3,-0.9 1,-0.3 4,-0.7 0.816 101.6 64.1 -62.8 -28.6 12.8 28.0 76.7 28 32 A S T 3< S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.601 83.4 76.6 -73.1 -10.2 10.3 30.7 77.5 29 33 A K T <4 S+ 0 0 123 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.823 119.3 8.4 -73.4 -30.9 12.1 33.2 75.1 30 34 A N T <4 S+ 0 0 146 -3,-0.9 2,-0.3 -4,-0.4 -2,-0.2 0.170 129.6 50.2-133.6 14.8 10.6 31.5 72.0 31 35 A N S < S- 0 0 44 -4,-0.7 2,-0.5 -5,-0.1 89,-0.0 -0.958 83.1-105.4-147.3 161.3 8.1 29.0 73.5 32 36 A K - 0 0 27 -2,-0.3 89,-2.2 53,-0.1 90,-2.0 -0.830 46.5-171.2 -94.0 124.8 5.2 28.9 76.1 33 37 A V E -cd 85 122A 0 51,-2.5 53,-2.6 -2,-0.5 2,-0.5 -0.963 21.4-161.4-127.6 133.8 6.5 27.2 79.2 34 38 A L E -cd 86 123A 0 88,-2.2 90,-2.9 -2,-0.4 2,-0.5 -0.975 11.6-158.1-109.7 127.7 5.0 25.9 82.4 35 39 A L E -cd 87 124A 0 51,-3.3 53,-2.3 -2,-0.5 2,-0.5 -0.926 5.8-161.6-102.4 125.5 7.3 25.4 85.3 36 40 A I E -cd 88 125A 0 88,-3.1 90,-2.6 -2,-0.5 2,-1.1 -0.953 8.0-151.9-111.4 116.5 6.0 22.9 88.0 37 41 A D E + d 0 126A 0 51,-2.6 27,-0.3 -2,-0.5 90,-0.1 -0.758 28.4 160.4 -83.8 98.0 7.7 23.0 91.5 38 42 A M E + d 0 127A 0 88,-2.4 90,-0.8 -2,-1.1 2,-0.5 -0.145 36.8 114.7-107.4 36.5 7.2 19.5 92.7 39 43 A D > - 0 0 5 88,-0.3 3,-1.8 1,-0.1 55,-0.1 -0.933 62.7-145.9-109.9 124.1 9.9 19.8 95.3 40 44 A T T 3 S+ 0 0 19 -2,-0.5 55,-0.2 1,-0.3 -1,-0.1 0.841 103.8 58.0 -53.0 -32.6 9.0 19.6 99.0 41 45 A Q T 3 S- 0 0 128 -3,-0.1 -1,-0.3 1,-0.0 5,-0.1 0.676 95.8-150.3 -74.1 -18.7 11.9 22.1 99.6 42 46 A A <> + 0 0 17 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 0.802 36.4 156.5 58.7 40.1 10.2 24.6 97.2 43 47 A S H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.859 73.0 49.7 -64.5 -37.5 13.3 26.3 95.9 44 48 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 111.7 49.3 -69.8 -42.3 11.8 27.5 92.7 45 49 A T H 4 S+ 0 0 5 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.899 111.4 49.2 -60.8 -41.2 8.8 28.9 94.6 46 50 A S H >< S+ 0 0 89 -4,-2.3 3,-1.4 2,-0.2 4,-0.4 0.921 107.3 56.1 -60.8 -44.5 11.1 30.7 97.0 47 51 A Y H 3< S+ 0 0 155 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.906 117.1 34.9 -54.7 -44.4 13.1 32.1 94.0 48 52 A F T 3X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.338 87.2 108.9 -90.3 6.2 9.9 33.6 92.6 49 53 A Y H <> S+ 0 0 108 -3,-1.4 4,-2.7 -4,-0.2 5,-0.2 0.878 73.5 57.1 -54.6 -44.1 8.4 34.4 96.1 50 54 A E H > S+ 0 0 73 -4,-0.4 4,-2.1 -3,-0.3 3,-0.4 0.960 111.1 42.5 -50.2 -56.9 8.9 38.2 95.6 51 55 A K H > S+ 0 0 41 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.872 114.1 52.5 -57.9 -40.0 6.8 38.2 92.4 52 56 A I H <>S+ 0 0 0 -4,-2.2 5,-1.9 -7,-0.2 4,-0.3 0.839 108.0 51.1 -64.7 -35.6 4.2 35.8 94.0 53 57 A E H ><5S+ 0 0 131 -4,-2.7 3,-1.5 -3,-0.4 -2,-0.2 0.930 105.3 55.9 -67.8 -45.4 3.8 38.1 97.0 54 58 A K H 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.9 47.1 -55.0 -37.5 3.2 41.2 94.8 55 59 A L T 3<5S- 0 0 103 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.536 108.5-129.6 -80.0 -8.9 0.3 39.3 93.1 56 60 A G T < 5 + 0 0 63 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.856 40.7 176.9 61.6 37.9 -1.1 38.3 96.5 57 61 A I < - 0 0 62 -5,-1.9 2,-1.5 1,-0.1 -1,-0.2 -0.597 31.0-139.7 -77.2 131.0 -1.4 34.6 95.6 58 62 A N >> + 0 0 84 -2,-0.4 4,-2.5 1,-0.2 3,-1.6 -0.610 30.8 167.7 -84.9 75.9 -2.5 32.2 98.3 59 63 A F T 34 + 0 0 35 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.0 0.544 68.6 76.3 -74.2 -3.7 -0.2 29.4 97.5 60 64 A T T 34 S+ 0 0 77 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.820 113.7 21.2 -59.7 -37.5 -1.2 27.9 100.9 61 65 A K T <4 S+ 0 0 31 -3,-1.6 2,-0.8 1,-0.2 -2,-0.2 0.752 125.0 55.8-101.5 -34.3 -4.4 26.9 99.1 62 66 A F S < S+ 0 0 72 -4,-2.5 2,-0.3 15,-0.1 -1,-0.2 -0.810 80.6 108.2-110.9 92.0 -3.4 26.9 95.5 63 67 A N S > S- 0 0 0 -2,-0.8 4,-1.5 -3,-0.1 3,-0.3 -0.943 79.6 -84.9-156.2 172.1 -0.4 24.6 95.0 64 68 A I H > S+ 0 0 0 25,-2.4 4,-2.2 -2,-0.3 5,-0.2 0.846 121.4 53.8 -59.0 -37.1 0.8 21.3 93.5 65 69 A Y H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 106.6 51.5 -64.1 -42.6 -0.2 19.2 96.5 66 70 A E H 4>S+ 0 0 33 -3,-0.3 5,-2.7 1,-0.2 6,-1.3 0.788 109.7 51.9 -65.6 -27.5 -3.8 20.6 96.5 67 71 A I H ><5S+ 0 0 8 -4,-1.5 3,-1.8 3,-0.2 -1,-0.2 0.933 109.2 48.4 -68.1 -48.2 -3.9 19.6 92.7 68 72 A L H 3<5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.817 111.8 49.9 -63.1 -31.0 -2.7 16.1 93.5 69 73 A K T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.435 111.1-124.7 -83.9 -0.8 -5.3 15.8 96.2 70 74 A E T < 5S+ 0 0 154 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.837 76.3 123.6 56.9 33.7 -8.1 17.1 93.8 71 75 A N S - 0 0 93 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.629 28.8-124.8 -83.4 142.7 -8.3 22.9 89.7 74 78 A I G >> S+ 0 0 2 -2,-0.3 3,-2.6 1,-0.3 4,-0.7 0.921 108.7 56.9 -52.8 -49.3 -4.9 23.1 88.0 75 79 A D G >4 S+ 0 0 87 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.821 99.4 60.6 -55.3 -33.1 -5.7 26.3 86.2 76 80 A S G <4 S+ 0 0 59 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.583 104.4 50.5 -72.3 -8.2 -6.5 28.1 89.5 77 81 A T G <4 S+ 0 0 2 -3,-2.6 -1,-0.2 -4,-0.4 -2,-0.2 0.617 81.9 113.3 -99.9 -13.6 -2.9 27.5 90.7 78 82 A I << - 0 0 37 -3,-0.9 2,-0.5 -4,-0.7 10,-0.2 -0.371 45.0-170.6 -76.8 129.7 -1.1 28.8 87.7 79 83 A I E -E 87 0A 4 8,-2.5 8,-2.4 -2,-0.2 2,-0.6 -0.980 21.0-133.8-123.1 123.9 0.9 32.0 88.3 80 84 A N E +E 86 0A 92 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.672 34.8 161.6 -76.4 121.0 2.5 34.1 85.6 81 85 A V E + 0 0 22 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.550 62.7 2.0-119.1 -15.8 6.1 34.8 86.7 82 86 A D E > S-E 85 0A 54 3,-1.8 3,-2.3 -54,-0.0 2,-0.4 -0.955 98.5 -61.8-159.1 170.1 7.9 35.9 83.5 83 87 A N T 3 S- 0 0 131 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.493 125.9 -4.7 -62.5 118.5 7.1 36.4 79.8 84 88 A N T 3 S+ 0 0 87 -2,-0.4 -51,-2.5 1,-0.2 2,-0.5 0.653 114.2 112.8 69.2 18.5 5.9 33.0 78.5 85 89 A L E < +cE 33 82A 0 -3,-2.3 -4,-2.5 -53,-0.2 -3,-1.8 -0.934 41.8 178.4-128.3 105.2 6.8 31.5 81.9 86 90 A D E -cE 34 80A 35 -53,-2.6 -51,-3.3 -2,-0.5 2,-0.4 -0.762 11.5-152.3-102.6 157.6 4.0 30.2 84.1 87 91 A L E -cE 35 79A 0 -8,-2.4 -8,-2.5 -2,-0.3 -51,-0.2 -0.987 18.6-161.5-136.3 131.4 4.5 28.5 87.5 88 92 A I E -c 36 0A 0 -53,-2.3 -51,-2.6 -2,-0.4 -10,-0.1 -0.983 36.5-142.0-103.7 115.6 2.7 26.0 89.7 89 93 A P - 0 0 0 0, 0.0 -25,-2.4 0, 0.0 2,-0.3 -0.296 4.1-133.6 -82.6 164.4 4.1 26.6 93.2 90 94 A S - 0 0 1 -27,-0.2 2,-0.3 -26,-0.1 -52,-0.1 -0.706 16.6-168.1-107.5 163.9 5.0 24.1 95.9 91 95 A Y > - 0 0 62 -2,-0.3 3,-2.6 -54,-0.1 4,-0.2 -0.976 38.2-104.0-151.4 153.8 4.2 24.3 99.6 92 96 A L G > S+ 0 0 105 -2,-0.3 3,-2.2 1,-0.3 4,-0.2 0.686 109.8 77.4 -55.6 -24.5 5.4 22.3 102.6 93 97 A T G > S+ 0 0 32 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.755 73.9 81.0 -56.1 -24.4 2.1 20.3 102.7 94 98 A L G X S+ 0 0 1 -3,-2.6 3,-1.1 1,-0.3 4,-0.4 0.763 75.0 77.1 -51.8 -24.3 3.6 18.3 99.7 95 99 A H G < S+ 0 0 99 -3,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.807 87.5 56.2 -55.9 -32.9 5.5 16.5 102.5 96 100 A N G X> S+ 0 0 88 -3,-2.3 3,-2.0 1,-0.2 4,-1.6 0.737 84.0 86.6 -71.9 -22.8 2.3 14.5 103.4 97 101 A F T <4 S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.816 81.4 56.3 -51.5 -43.6 1.8 13.1 99.8 98 102 A S T 34 S+ 0 0 54 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.753 115.0 40.4 -61.2 -24.9 4.0 10.1 100.3 99 103 A E T <4 S+ 0 0 156 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.2 0.696 88.6 106.5 -98.9 -20.5 1.9 9.0 103.2 100 104 A D < - 0 0 38 -4,-1.6 2,-0.6 1,-0.1 -3,-0.0 -0.288 69.8-130.5 -58.3 139.6 -1.6 9.9 101.9 101 105 A K + 0 0 106 2,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.858 44.6 154.9 -97.5 117.6 -3.6 6.8 100.9 102 106 A I > - 0 0 60 -2,-0.6 3,-0.8 0, 0.0 2,-0.3 -0.997 43.0-113.6-149.4 140.8 -5.0 7.3 97.5 103 107 A E T 3 S+ 0 0 88 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.567 99.6 4.2 -77.8 137.7 -6.2 5.2 94.5 104 108 A H T > S+ 0 0 75 -2,-0.3 3,-1.3 1,-0.1 -1,-0.2 0.896 82.3 166.5 55.1 43.9 -4.1 5.3 91.3 105 109 A K G X + 0 0 31 -3,-0.8 3,-1.0 1,-0.3 4,-0.3 0.793 62.8 61.3 -62.5 -33.4 -1.7 7.6 93.1 106 110 A D G 3 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.746 105.7 46.8 -66.1 -24.4 1.1 7.4 90.5 107 111 A F G <> S+ 0 0 97 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.285 76.8 104.8-105.9 8.4 -1.1 8.9 87.8 108 112 A L H <> S+ 0 0 19 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.911 85.7 42.1 -59.8 -44.1 -2.5 11.9 89.6 109 113 A L H > S+ 0 0 0 -4,-0.3 4,-3.0 -3,-0.2 5,-0.2 0.907 112.2 54.5 -70.8 -39.8 -0.3 14.5 87.9 110 114 A K H > S+ 0 0 114 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.897 111.0 47.0 -56.8 -42.7 -0.7 12.9 84.5 111 115 A T H X S+ 0 0 92 -4,-2.4 4,-0.9 2,-0.2 3,-0.4 0.966 113.7 47.0 -62.0 -55.2 -4.5 13.1 84.9 112 116 A S H >< S+ 0 0 16 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.881 110.2 51.4 -56.4 -44.1 -4.3 16.7 86.0 113 117 A L H >X S+ 0 0 4 -4,-3.0 3,-1.8 1,-0.2 4,-1.1 0.843 100.8 64.5 -64.9 -32.2 -2.0 17.9 83.2 114 118 A G H 3< S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.4 4,-0.2 0.797 94.8 58.3 -59.6 -32.4 -4.3 16.3 80.6 115 119 A T T << S+ 0 0 92 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.477 128.4 13.3 -73.6 -1.1 -7.0 18.8 81.5 116 120 A L T <4 S+ 0 0 18 -3,-1.8 3,-0.4 -4,-0.1 2,-0.2 0.488 86.3 107.3-136.8 -84.0 -4.6 21.6 80.6 117 121 A Y >< + 0 0 18 -4,-1.1 3,-3.2 1,-0.2 2,-0.3 -0.031 66.9 76.3 34.4 -83.6 -1.4 20.6 78.7 118 122 A Y T 3 S+ 0 0 94 1,-0.3 -1,-0.2 -4,-0.2 -4,-0.1 0.361 83.2 65.2 -33.0 -19.1 -2.4 22.1 75.2 119 123 A K T 3 S+ 0 0 72 -3,-0.4 -1,-0.3 -2,-0.3 2,-0.3 0.730 99.1 70.5 -75.6 -21.0 -1.8 25.8 76.2 120 124 A Y < - 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