==== 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 TRANSPORT PROTEIN 24-FEB-04 1SGW . COMPND 2 MOLECULE: PUTATIVE ABC TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Z.J.LIU,W.TEMPEL,A.SHAH,L.CHEN,D.LEE,L.-L.C.KELLEY,B.D.DILLA . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 12.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 S 0 0 66 0, 0.0 25,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.3 40.1 -8.8 13.8 2 2 A K E -A 25 0A 62 23,-0.2 59,-2.7 175,-0.0 2,-0.5 -0.986 360.0-157.7-130.3 136.1 42.4 -7.7 16.6 3 3 A L E -AB 24 60A 0 21,-2.7 21,-3.1 -2,-0.4 2,-0.5 -0.972 18.4-159.1-107.4 123.9 44.9 -4.9 17.0 4 4 A E E -AB 23 59A 37 55,-3.1 55,-2.7 -2,-0.5 2,-0.5 -0.931 7.8-168.6-107.9 124.1 47.5 -5.7 19.7 5 5 A I E -AB 22 58A 0 17,-3.2 17,-1.8 -2,-0.5 2,-0.5 -0.957 12.2-170.9-109.5 125.7 49.5 -2.9 21.2 6 6 A R E - B 0 57A 95 51,-2.8 51,-2.2 -2,-0.5 15,-0.2 -0.969 59.4 -30.1-129.0 121.0 52.4 -4.2 23.3 7 7 A D E S- 0 0 108 -2,-0.5 2,-0.3 49,-0.2 12,-0.2 0.826 83.7-174.6 51.2 43.1 54.6 -2.2 25.7 8 8 A L E +A 20 0A 0 12,-2.7 12,-2.0 10,-0.1 2,-0.4 -0.532 19.8 179.7 -81.7 128.6 54.2 0.9 23.5 9 9 A S E - B 0 55A 14 46,-2.1 45,-2.3 -2,-0.3 46,-1.3 -0.976 13.3-163.9-115.5 140.5 56.1 4.1 24.1 10 10 A V E +A 17 0A 0 7,-2.3 6,-2.9 -2,-0.4 7,-1.4 -0.927 28.6 96.7-127.5 151.4 55.4 7.0 21.8 11 11 A G E -A 15 0A 2 41,-0.4 41,-0.1 -2,-0.3 -2,-0.0 -0.934 61.9-102.5 159.9-178.5 57.2 10.2 21.1 12 12 A Y S S- 0 0 145 2,-0.7 -1,-0.1 -2,-0.3 40,-0.1 0.882 104.6 -14.6 -99.0 -67.1 59.7 12.0 18.8 13 13 A D S S+ 0 0 166 1,-0.3 -2,-0.0 2,-0.0 0, 0.0 0.795 140.0 23.3-101.1 -49.4 63.0 12.2 20.6 14 14 A K S S- 0 0 66 1,-0.0 -2,-0.7 -4,-0.0 -1,-0.3 -0.781 93.9 -94.1-115.5 156.2 61.8 11.3 24.1 15 15 A P E +A 11 0A 43 0, 0.0 -4,-0.3 0, 0.0 3,-0.1 -0.530 30.6 177.8 -73.2 136.4 58.7 9.3 25.3 16 16 A V E S+ 0 0 58 -6,-2.9 184,-1.8 1,-0.4 2,-0.3 0.639 79.3 27.3-104.2 -25.1 55.6 11.3 26.2 17 17 A L E S-AC 10 199A 0 -7,-1.4 -7,-2.3 182,-0.2 -1,-0.4 -0.995 75.3-179.9-136.6 141.7 53.5 8.1 26.8 18 18 A E E + 0 0 66 180,-2.1 -9,-0.2 -2,-0.3 -10,-0.1 -0.945 49.4 28.4-140.4 158.5 54.8 4.7 28.0 19 19 A R E + 0 0 130 -2,-0.3 2,-0.7 -12,-0.2 -10,-0.2 0.778 63.6 166.0 66.0 34.6 53.8 1.1 28.9 20 20 A I E +A 8 0A 0 -12,-2.0 -12,-2.7 -14,-0.1 2,-0.4 -0.730 1.9 165.1 -85.6 115.1 50.7 0.9 26.7 21 21 A T E + 0 0 79 -2,-0.7 2,-0.3 -15,-0.2 -15,-0.2 -0.971 14.2 136.7-131.1 116.5 49.5 -2.7 26.4 22 22 A M E -A 5 0A 21 -17,-1.8 -17,-3.2 -2,-0.4 2,-0.5 -0.993 45.7-131.8-155.2 158.8 46.0 -3.4 25.1 23 23 A T E -A 4 0A 80 -2,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.975 23.7-162.9-113.3 118.6 43.9 -5.6 22.7 24 24 A I E -A 3 0A 2 -21,-3.1 -21,-2.7 -2,-0.5 2,-0.3 -0.909 9.1-162.0-108.4 124.3 41.6 -3.6 20.5 25 25 A E E > -A 2 0A 43 -2,-0.5 3,-1.8 3,-0.3 153,-0.3 -0.771 27.3 -98.4-111.7 149.5 38.8 -5.6 18.9 26 26 A K T 3 S+ 0 0 55 -25,-1.7 151,-0.2 -2,-0.3 147,-0.1 -0.432 111.1 27.3 -60.2 135.8 36.5 -4.8 15.9 27 27 A G T 3 S+ 0 0 26 149,-1.1 2,-0.6 146,-0.2 -1,-0.2 0.208 100.4 93.5 93.2 -13.0 33.2 -3.5 17.1 28 28 A N < - 0 0 78 -3,-1.8 -3,-0.3 161,-0.1 150,-0.2 -0.837 68.9-145.5-117.7 94.3 34.5 -2.0 20.4 29 29 A V - 0 0 3 -2,-0.6 162,-2.4 159,-0.2 2,-0.5 -0.256 8.2-148.1 -59.8 133.1 35.5 1.7 19.9 30 30 A V E -ef 179 191B 2 148,-2.5 150,-2.9 160,-0.2 2,-0.6 -0.936 8.2-165.4-107.9 124.0 38.5 3.0 21.9 31 31 A N E -ef 180 192B 0 160,-2.9 162,-2.8 -2,-0.5 2,-0.6 -0.925 2.6-163.4-107.8 107.0 38.6 6.5 23.1 32 32 A F E -ef 181 193B 0 148,-2.7 150,-1.7 -2,-0.6 2,-0.3 -0.810 25.8-175.0 -84.7 121.4 42.0 7.7 24.3 33 33 A H E +ef 182 194B 23 160,-2.4 162,-2.8 -2,-0.6 163,-0.3 -0.862 22.4 101.9-132.4 156.3 41.4 10.9 26.3 34 34 A G - 0 0 5 148,-1.6 3,-0.1 -2,-0.3 150,-0.1 -0.890 67.8 -45.6 159.5 176.2 43.1 13.7 28.2 35 35 A P > - 0 0 85 0, 0.0 3,-2.2 0, 0.0 5,-0.3 -0.387 69.6 -89.3 -69.6 145.1 44.0 17.4 27.8 36 36 A N T 3 S+ 0 0 88 1,-0.2 147,-0.0 2,-0.1 -3,-0.0 -0.311 118.0 39.2 -49.7 130.0 45.5 18.6 24.5 37 37 A G T 3 S+ 0 0 82 -3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.168 82.7 103.0 108.0 -16.3 49.3 18.2 24.9 38 38 A I S < S- 0 0 23 -3,-2.2 -2,-0.1 1,-0.1 -5,-0.0 0.650 104.3 -89.9 -74.2 -14.8 49.2 14.9 26.8 39 39 A G S > S+ 0 0 9 -4,-0.2 4,-2.9 160,-0.1 5,-0.2 0.555 82.7 133.9 116.4 10.3 50.2 12.9 23.7 40 40 A K H > S+ 0 0 8 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 80.8 43.4 -52.9 -53.4 46.9 12.0 21.9 41 41 A T H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 113.8 51.1 -61.2 -44.2 48.1 13.0 18.5 42 42 A T H > S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.927 112.8 46.3 -59.6 -44.6 51.5 11.4 19.0 43 43 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.938 114.7 45.8 -62.8 -48.1 49.8 8.2 20.1 44 44 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.851 110.6 53.0 -69.0 -33.6 47.3 8.2 17.2 45 45 A K H <>S+ 0 0 29 -4,-2.8 5,-1.5 -5,-0.2 6,-1.5 0.798 110.1 50.0 -69.2 -27.9 50.0 9.0 14.6 46 46 A T H ><5S+ 0 0 1 -4,-1.5 3,-1.6 -5,-0.2 -2,-0.2 0.921 109.5 48.9 -73.9 -45.8 52.0 6.1 15.9 47 47 A I H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.1 52.5 -56.5 -35.9 49.1 3.7 15.6 48 48 A S T 3<5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.398 116.3-116.6 -82.3 2.0 48.5 5.0 12.1 49 49 A T T < 5S+ 0 0 21 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.330 86.7 112.6 76.3 0.1 52.2 4.3 11.2 50 50 A Y S S-BD 3 63A 8 3,-3.2 3,-1.9 -2,-0.4 -57,-0.2 -0.911 78.8 -25.5-109.5 116.5 47.2 -6.3 13.4 61 61 A N T 3 S- 0 0 86 -59,-2.7 -1,-0.2 -2,-0.6 -58,-0.1 0.881 128.8 -48.5 47.2 44.3 45.9 -9.8 13.0 62 62 A G T 3 S+ 0 0 67 -60,-0.2 -1,-0.3 1,-0.2 -59,-0.1 0.450 120.7 104.9 81.3 1.7 49.4 -11.1 13.5 63 63 A V E < S-D 60 0A 54 -3,-1.9 -3,-3.2 5,-0.0 -1,-0.2 -0.949 80.9-100.8-119.9 135.0 51.1 -8.7 11.0 64 64 A P E > -D 59 0A 60 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.235 33.1-123.7 -50.9 135.3 53.2 -5.6 11.8 65 65 A I G > S+ 0 0 10 -7,-2.4 3,-1.9 1,-0.3 -6,-0.1 0.804 107.8 66.4 -56.5 -29.6 51.0 -2.5 11.4 66 66 A T G > S+ 0 0 86 1,-0.3 3,-0.5 -8,-0.3 -1,-0.3 0.689 95.1 58.7 -69.3 -15.4 53.5 -1.0 8.9 67 67 A K G < S+ 0 0 166 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.447 105.1 49.7 -89.0 -2.0 52.7 -3.9 6.5 68 68 A V G X + 0 0 15 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.2 -0.089 63.1 132.3-128.1 35.5 49.0 -2.9 6.4 69 69 A K G X + 0 0 122 -3,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.835 69.5 62.8 -54.9 -36.0 49.1 0.8 5.7 70 70 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.647 98.7 56.5 -66.1 -14.9 46.5 0.5 2.9 71 71 A K G < S+ 0 0 82 -3,-1.9 75,-2.3 73,-0.1 74,-2.2 0.353 93.2 89.1 -94.6 1.2 44.0 -0.8 5.5 72 72 A I E < -g 146 0B 11 -3,-1.7 2,-0.5 72,-0.2 75,-0.2 -0.852 51.5-169.7-108.2 133.7 44.3 2.3 7.7 73 73 A F E -g 147 0B 14 73,-2.9 75,-3.0 -2,-0.4 2,-0.5 -0.990 11.1-172.2-118.0 121.6 42.3 5.6 7.6 74 74 A F E -g 148 0B 31 -2,-0.5 75,-0.2 73,-0.2 73,-0.0 -0.948 8.7-167.2-114.2 128.1 43.7 8.4 9.8 75 75 A L E -g 149 0B 5 73,-2.7 75,-3.0 -2,-0.5 -2,-0.0 -0.972 19.0-145.0-112.2 117.0 41.8 11.7 10.2 76 76 A P - 0 0 32 0, 0.0 4,-0.1 0, 0.0 -35,-0.0 -0.249 22.4-112.4 -75.8 168.2 44.1 14.4 11.9 77 77 A E S S+ 0 0 66 2,-0.1 2,-0.1 72,-0.1 72,-0.0 0.758 95.3 84.1 -71.2 -26.5 42.8 17.0 14.3 78 78 A E S S- 0 0 105 1,-0.0 2,-0.7 2,-0.0 72,-0.1 -0.422 77.7-134.2 -74.3 154.5 43.5 19.8 11.8 79 79 A I + 0 0 25 -2,-0.1 2,-0.5 2,-0.0 53,-0.1 -0.907 39.5 156.9-112.6 98.3 40.9 20.6 9.1 80 80 A I + 0 0 130 -2,-0.7 -2,-0.0 -4,-0.1 0, 0.0 -0.972 7.6 151.6-130.5 115.8 42.7 20.9 5.8 81 81 A V - 0 0 20 -2,-0.5 2,-0.4 42,-0.0 -2,-0.0 -0.930 53.7 -89.2-138.8 158.5 40.9 20.4 2.6 82 82 A P > - 0 0 68 0, 0.0 3,-0.8 0, 0.0 41,-0.4 -0.598 36.6-153.1 -70.3 124.3 41.1 21.6 -1.0 83 83 A R T 3 S+ 0 0 190 -2,-0.4 41,-2.3 1,-0.2 42,-0.2 0.701 86.5 52.0 -81.1 -18.3 39.1 24.8 -1.1 84 84 A K T 3 S+ 0 0 194 39,-0.2 2,-0.3 38,-0.1 -1,-0.2 0.439 89.9 95.0 -95.4 -0.4 38.1 24.8 -4.8 85 85 A I S < S- 0 0 39 -3,-0.8 38,-2.7 1,-0.1 39,-0.2 -0.662 75.5-119.1 -90.3 145.3 36.7 21.2 -4.8 86 86 A S B > -I 122 0C 14 -2,-0.3 4,-2.6 36,-0.3 36,-0.2 -0.389 26.0-109.1 -75.7 162.2 33.0 20.4 -4.3 87 87 A V H > S+ 0 0 0 34,-1.9 4,-2.1 31,-0.2 5,-0.2 0.932 120.3 46.1 -51.4 -51.6 31.7 18.3 -1.4 88 88 A E H > S+ 0 0 29 31,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.907 112.1 49.9 -66.2 -36.9 30.9 15.5 -3.7 89 89 A D H > S+ 0 0 80 30,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.878 109.4 52.6 -69.9 -36.8 34.2 15.6 -5.6 90 90 A Y H X S+ 0 0 28 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.940 110.6 47.1 -60.0 -47.7 36.1 15.6 -2.3 91 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 112.8 49.1 -62.3 -41.4 34.2 12.5 -1.2 92 92 A K H X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.916 112.7 49.1 -62.8 -40.3 34.8 10.8 -4.5 93 93 A A H X S+ 0 0 44 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.899 110.0 48.4 -67.9 -45.2 38.5 11.7 -4.3 94 94 A V H >X S+ 0 0 14 -4,-2.8 3,-0.7 1,-0.2 4,-0.6 0.947 112.8 49.1 -61.3 -46.8 39.1 10.4 -0.7 95 95 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.4 0.894 106.0 58.0 -58.2 -38.5 37.3 7.2 -1.7 96 96 A S H ><5S+ 0 0 79 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.797 92.5 67.2 -64.7 -28.3 39.5 6.9 -4.8 97 97 A L H <<5S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.783 105.3 44.3 -60.7 -25.1 42.7 7.0 -2.6 98 98 A Y T <<5S- 0 0 53 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.218 122.7-108.6 -99.8 11.3 41.5 3.6 -1.3 99 99 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.674 75.4 139.9 69.3 19.5 40.7 2.4 -4.8 100 100 A V < - 0 0 31 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.822 42.7-151.8 -99.4 130.8 36.9 2.6 -4.0 101 101 A K - 0 0 114 -2,-0.5 2,-0.4 -3,-0.1 -9,-0.1 -0.898 16.8-170.9-101.7 122.3 34.5 3.9 -6.6 102 102 A V - 0 0 15 -2,-0.6 2,-0.2 -10,-0.1 -6,-0.0 -0.892 12.8-141.8-113.6 143.6 31.5 5.6 -5.1 103 103 A N > - 0 0 88 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.514 35.9 -99.5 -92.1 170.1 28.4 6.8 -6.9 104 104 A K H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.749 122.1 56.3 -64.6 -24.0 26.5 10.0 -6.0 105 105 A N H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.844 106.3 47.3 -74.3 -38.4 23.9 7.9 -4.0 106 106 A E H > S+ 0 0 89 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.859 112.6 53.1 -65.6 -36.3 26.5 6.3 -1.7 107 107 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 109.0 47.6 -62.9 -47.9 27.9 9.8 -1.3 108 108 A M H X S+ 0 0 64 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.889 106.9 56.1 -64.5 -38.9 24.5 11.2 -0.3 109 109 A D H X S+ 0 0 49 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.925 110.0 46.8 -56.6 -43.0 23.9 8.4 2.2 110 110 A A H X S+ 0 0 5 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.921 113.2 47.7 -66.1 -43.4 27.2 9.3 3.9 111 111 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-1.1 0.864 105.4 59.4 -66.2 -35.6 26.4 13.0 3.9 112 112 A E H ><5S+ 0 0 143 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.883 97.3 61.3 -57.5 -36.5 22.9 12.2 5.3 113 113 A S H 3<5S+ 0 0 39 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.729 113.3 35.6 -65.4 -21.0 24.6 10.6 8.3 114 114 A V T <<5S- 0 0 1 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.199 115.2-112.9-116.1 13.8 26.2 14.0 9.2 115 115 A E T < 5 + 0 0 127 -3,-1.4 2,-0.5 -4,-0.2 -3,-0.2 0.870 65.6 144.9 56.4 43.9 23.3 16.2 8.1 116 116 A V < + 0 0 15 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.967 20.3 175.1-109.4 129.5 25.0 17.8 5.1 117 117 A L + 0 0 143 -2,-0.5 2,-1.1 1,-0.1 -1,-0.1 0.857 51.2 74.1-103.0 -43.8 22.8 18.5 2.1 118 118 A D > + 0 0 69 1,-0.2 3,-0.6 -7,-0.1 -31,-0.2 -0.658 45.2 177.1 -88.2 101.9 24.4 20.4 -0.7 119 119 A L T 3 S+ 0 0 18 -2,-1.1 -31,-2.7 1,-0.2 -30,-0.3 0.675 76.8 58.9 -67.3 -22.6 26.8 18.1 -2.6 120 120 A K T 3 S+ 0 0 151 -33,-0.2 -1,-0.2 -34,-0.2 -2,-0.1 0.673 76.8 105.9 -89.7 -16.8 27.7 20.8 -5.1 121 121 A K S < S- 0 0 41 -3,-0.6 -34,-1.9 -35,-0.1 2,-0.2 -0.323 73.4-114.0 -72.2 141.5 29.1 23.5 -2.9 122 122 A K B > -I 86 0C 55 -36,-0.2 3,-2.2 1,-0.1 -36,-0.3 -0.518 21.3-125.1 -75.4 142.3 32.9 24.2 -2.9 123 123 A L G > S+ 0 0 1 -38,-2.7 3,-2.0 -41,-0.4 -40,-0.2 0.825 106.9 65.5 -59.0 -33.1 34.6 23.4 0.4 124 124 A G G 3 S+ 0 0 44 -41,-2.3 -1,-0.3 1,-0.3 -40,-0.1 0.589 97.2 57.1 -65.9 -9.2 36.1 26.9 0.7 125 125 A E G < S+ 0 0 139 -3,-2.2 -1,-0.3 -42,-0.2 2,-0.2 0.438 95.5 86.3 -99.0 -1.0 32.5 28.3 1.0 126 126 A L S < S- 0 0 37 -3,-2.0 2,-0.1 -4,-0.2 -3,-0.0 -0.613 80.6-107.5-101.8 158.1 31.7 26.2 4.0 127 127 A S > - 0 0 69 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.348 35.9-107.8 -71.4 160.8 32.3 26.7 7.8 128 128 A Q H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 120.3 52.1 -60.6 -39.0 34.9 24.7 9.6 129 129 A G H > S+ 0 0 11 26,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.910 110.5 48.1 -62.7 -42.0 32.2 22.6 11.3 130 130 A T H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 110.5 51.0 -64.6 -42.9 30.6 21.8 8.0 131 131 A I H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.918 109.0 51.4 -60.4 -43.4 33.9 20.9 6.5 132 132 A R H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.906 106.8 54.1 -62.0 -38.6 34.6 18.6 9.4 133 133 A R H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.931 108.3 49.5 -57.5 -43.0 31.2 16.9 8.9 134 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.908 109.4 51.9 -65.1 -39.7 32.2 16.3 5.3 135 135 A Q H X S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.906 108.7 50.3 -62.4 -39.8 35.5 14.8 6.4 136 136 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.896 107.5 53.7 -65.8 -36.9 33.6 12.5 8.7 137 137 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.895 101.7 60.0 -61.1 -36.8 31.3 11.5 5.9 138 138 A S H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 4,-0.4 0.838 95.2 62.3 -61.6 -32.2 34.4 10.6 3.8 139 139 A T H >< S+ 0 0 0 -4,-1.1 3,-0.5 -3,-0.5 -1,-0.3 0.770 96.9 60.6 -63.1 -23.4 35.4 8.0 6.5 140 140 A L T << S+ 0 0 15 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.584 100.1 54.9 -79.4 -9.2 32.2 6.1 5.7 141 141 A L T < S+ 0 0 18 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.502 87.2 87.8-105.8 -9.2 33.1 5.5 2.1 142 142 A V S < S- 0 0 1 -3,-0.5 -47,-0.1 -4,-0.4 -46,-0.1 -0.430 73.1-129.4 -94.4 164.8 36.5 3.8 2.3 143 143 A N + 0 0 102 -48,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.146 57.9 142.6-100.7 22.7 37.2 0.1 2.6 144 144 A A - 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