==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-AUG-13 4MEV . COMPND 2 MOLECULE: TRAP DICARBOXYLATE TRANSPORTER-DCTP SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOFERAX FERRIREDUCENS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,S.ZHAO,M.STEAD, . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 6 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 S 0 0 170 0, 0.0 39,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -46.9 47.2 26.0 35.9 2 29 A A - 0 0 40 37,-0.1 2,-0.4 39,-0.1 39,-0.3 -0.402 360.0-121.2 -61.7 139.7 46.0 27.0 32.4 3 30 A L E -a 41 0A 17 37,-3.1 39,-2.4 -2,-0.1 2,-0.4 -0.700 29.5-130.0 -77.6 133.3 46.6 30.6 31.4 4 31 A K E -a 42 0A 74 -2,-0.4 62,-2.0 37,-0.2 2,-0.5 -0.714 17.9-165.9 -91.4 137.7 43.3 32.4 30.6 5 32 A I E -ab 43 66A 0 37,-2.4 39,-3.1 -2,-0.4 2,-0.3 -0.982 14.0-170.4-121.7 114.6 42.8 34.4 27.5 6 33 A S E +ab 44 67A 0 60,-2.4 62,-1.7 -2,-0.5 2,-0.3 -0.815 12.8 156.9-106.7 143.4 39.8 36.6 27.6 7 34 A H E - b 0 68A 0 37,-2.0 40,-2.6 -2,-0.3 41,-0.4 -0.979 42.8-126.7-158.3 166.8 38.1 38.7 24.8 8 35 A Q S S+ 0 0 3 60,-0.5 44,-0.1 -2,-0.3 61,-0.1 0.410 75.4 99.1 -93.9 -1.7 34.8 40.2 23.9 9 36 A F S S- 0 0 0 1,-0.1 37,-2.7 37,-0.1 38,-0.1 -0.404 82.3 -82.2 -93.6 160.5 34.4 38.7 20.4 10 37 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 8,-0.2 -0.237 46.5-120.3 -60.7 150.7 32.4 35.6 19.2 11 38 A G + 0 0 52 34,-0.1 2,-0.2 6,-0.1 11,-0.0 -0.657 46.7 132.4 -94.9 149.4 33.9 32.2 19.7 12 39 A G - 0 0 28 -2,-0.3 5,-0.2 6,-0.1 2,-0.2 -0.620 50.3 -64.5-157.6-143.1 34.7 29.7 17.0 13 40 A T - 0 0 77 3,-2.4 12,-0.1 -2,-0.2 -1,-0.0 -0.603 46.4 -96.3-116.6 179.5 37.6 27.4 16.0 14 41 A I S S+ 0 0 47 -2,-0.2 12,-0.1 1,-0.2 3,-0.1 0.879 124.9 41.8 -60.9 -35.6 41.2 27.9 14.8 15 42 A K S S+ 0 0 153 1,-0.2 2,-0.4 7,-0.0 -1,-0.2 0.742 120.7 30.3 -86.8 -25.9 39.9 27.5 11.3 16 43 A E S S+ 0 0 153 2,-0.1 -3,-2.4 6,-0.0 2,-0.3 -0.989 86.1 45.4-147.1 133.8 36.7 29.5 11.3 17 44 A G S S- 0 0 40 -2,-0.4 2,-0.1 -5,-0.2 -6,-0.1 -0.875 92.7 -9.0 139.2-171.5 35.3 32.5 13.1 18 45 A D >> - 0 0 7 -2,-0.3 4,-2.3 -8,-0.2 3,-0.9 -0.410 66.6-129.9 -55.4 124.4 36.2 36.0 14.1 19 46 A F H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.779 104.9 60.7 -60.7 -24.2 40.0 36.2 13.4 20 47 A R H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.921 108.7 43.5 -69.0 -38.7 40.8 37.6 16.9 21 48 A D H <> S+ 0 0 0 -3,-0.9 4,-1.9 -11,-0.2 -2,-0.2 0.923 114.6 50.2 -68.5 -45.3 39.3 34.4 18.4 22 49 A R H X S+ 0 0 63 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.910 108.9 54.2 -54.0 -42.4 41.1 32.3 15.7 23 50 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.922 107.7 46.3 -65.0 -47.2 44.4 34.2 16.5 24 51 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.865 112.9 51.4 -66.5 -30.3 44.4 33.5 20.3 25 52 A R H X S+ 0 0 62 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 111.9 46.5 -71.7 -39.9 43.5 29.8 19.6 26 53 A N H X S+ 0 0 39 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.920 112.5 51.1 -60.6 -46.8 46.4 29.6 17.1 27 54 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.941 112.1 46.3 -56.4 -49.8 48.7 31.3 19.6 28 55 A A H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.914 111.5 50.4 -63.8 -43.9 47.7 28.9 22.4 29 56 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.914 113.7 45.3 -61.1 -42.4 48.1 25.8 20.2 30 57 A E H X S+ 0 0 52 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.900 114.3 46.8 -73.9 -37.9 51.6 26.8 19.1 31 58 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 8,-0.3 0.922 111.9 52.4 -67.4 -40.2 52.8 27.9 22.5 32 59 A E H <>S+ 0 0 60 -4,-2.6 5,-2.4 -5,-0.2 -2,-0.2 0.854 114.8 42.2 -60.7 -40.1 51.4 24.6 24.0 33 60 A K H ><5S+ 0 0 147 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.938 116.7 45.2 -69.9 -52.0 53.3 22.6 21.4 34 61 A R H 3<5S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.789 114.6 48.1 -69.2 -26.5 56.6 24.5 21.5 35 62 A S T ><5S- 0 0 21 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.3 0.354 109.1-127.2 -90.9 3.3 56.6 24.6 25.3 36 63 A K T < 5S- 0 0 192 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.865 72.0 -48.4 47.5 44.2 55.9 20.9 25.2 37 64 A G T 3 + 0 0 26 0, 0.0 3,-1.6 0, 0.0 -37,-0.2 -0.231 56.5 33.3 -77.0 172.0 35.4 34.4 24.2 46 73 A G T 3 S- 0 0 44 -37,-2.7 -38,-0.3 1,-0.3 -37,-0.1 0.779 126.8 -69.1 57.0 33.5 32.3 36.7 24.2 47 74 A S T 3 S+ 0 0 30 -40,-2.6 -1,-0.3 -3,-0.4 -39,-0.1 0.822 91.7 145.1 54.4 34.2 33.1 38.3 27.5 48 75 A S < + 0 0 78 -3,-1.6 -2,-0.1 -41,-0.4 3,-0.1 0.728 68.7 42.5 -76.8 -20.0 32.3 35.0 29.2 49 76 A L S S- 0 0 61 -5,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.873 131.1 -24.2 -91.5 -41.9 34.9 35.4 31.9 50 77 A M S S- 0 0 46 -6,-0.2 -1,-0.4 -43,-0.1 5,-0.1 -0.971 82.7 -65.2-161.6 168.1 34.3 39.0 32.7 51 78 A K >> - 0 0 156 -2,-0.3 3,-1.9 -3,-0.1 4,-0.7 -0.239 47.7-114.4 -61.0 149.6 32.9 42.3 31.3 52 79 A T G >4 S+ 0 0 8 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.887 114.2 48.2 -49.1 -49.5 34.7 43.8 28.4 53 80 A N G 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.362 105.3 60.0 -84.0 8.5 35.8 47.0 30.3 54 81 A A G <> S+ 0 0 43 -3,-1.9 4,-1.8 2,-0.1 -1,-0.2 0.578 84.3 80.4-102.5 -14.3 37.1 45.0 33.3 55 82 A Q H S+ 0 0 14 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.962 113.5 43.7 -68.4 -48.8 42.5 45.6 31.2 57 84 A S H > S+ 0 0 48 -4,-0.3 4,-1.9 1,-0.2 6,-0.2 0.859 109.6 57.9 -62.1 -36.8 42.5 46.4 34.8 58 85 A S H <>S+ 0 0 18 -4,-1.8 5,-2.5 1,-0.2 6,-1.2 0.899 107.8 47.3 -62.7 -39.5 42.3 42.8 35.8 59 86 A M H ><5S+ 0 0 0 -4,-2.0 3,-1.7 4,-0.2 165,-0.3 0.929 108.1 55.4 -64.2 -46.4 45.6 42.1 33.8 60 87 A R H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 111.0 44.6 -53.5 -39.3 47.3 45.1 35.5 61 88 A K T 3<5S- 0 0 167 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.439 116.8-113.1 -86.8 -0.9 46.5 43.7 38.9 62 89 A G T < 5S+ 0 0 22 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.597 87.1 115.6 79.8 10.5 47.5 40.2 37.9 63 90 A A S - 0 0 1 0, 0.0 3,-1.4 0, 0.0 147,-0.3 -0.482 41.8-140.7 -56.1 122.2 40.9 47.4 21.8 71 98 A L G > S+ 0 0 0 145,-2.2 3,-2.2 -2,-0.3 146,-0.1 0.877 92.1 60.6 -61.9 -41.5 43.7 49.4 23.5 72 99 A S G > S+ 0 0 6 144,-0.5 3,-1.9 1,-0.3 -1,-0.3 0.564 80.4 83.8 -71.2 -6.3 42.0 52.7 23.7 73 100 A Y G < S+ 0 0 42 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.774 92.3 52.7 -59.8 -24.9 39.2 51.3 25.8 74 101 A A G X> S+ 0 0 3 -3,-2.2 4,-2.7 -4,-0.2 3,-1.0 0.312 76.8 105.2 -90.6 8.0 41.7 52.0 28.6 75 102 A G T <4 S+ 0 0 3 -3,-1.9 7,-0.2 1,-0.3 -1,-0.2 0.742 70.5 63.9 -65.4 -22.5 42.2 55.6 27.6 76 103 A G T 34 S+ 0 0 70 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.891 114.1 31.9 -64.7 -37.6 40.1 56.9 30.5 77 104 A E T <4 S+ 0 0 128 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.819 135.6 26.1 -88.5 -36.6 42.7 55.4 32.9 78 105 A V >< - 0 0 2 -4,-2.7 3,-2.2 1,-0.1 -1,-0.3 -0.859 69.4-166.0-131.5 95.4 45.8 55.9 30.8 79 106 A P G > S+ 0 0 24 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.800 82.6 70.4 -58.0 -32.1 45.3 58.8 28.4 80 107 A E G > S+ 0 0 27 1,-0.3 3,-1.4 2,-0.2 -5,-0.1 0.807 88.9 66.2 -50.2 -31.9 48.4 57.8 26.3 81 108 A L G X S+ 0 0 0 -3,-2.2 3,-2.0 1,-0.3 -1,-0.3 0.601 74.3 85.9 -75.0 -8.4 46.4 54.8 25.1 82 109 A N G X S+ 0 0 14 -3,-2.4 3,-1.6 1,-0.3 -1,-0.3 0.680 70.7 79.7 -62.6 -15.1 43.9 56.9 23.2 83 110 A I G < S+ 0 0 4 -3,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.712 70.5 83.9 -63.7 -16.8 46.3 56.8 20.3 84 111 A G G < S+ 0 0 1 -3,-2.0 132,-2.2 1,-0.3 -1,-0.3 0.705 104.2 23.9 -64.8 -22.0 44.9 53.3 19.6 85 112 A L S < S+ 0 0 0 -3,-1.6 69,-0.5 130,-0.2 68,-0.4 -0.704 82.5 125.9-144.1 95.2 42.1 55.0 17.7 86 113 A M >> - 0 0 6 -3,-0.5 3,-1.4 128,-0.5 4,-0.5 -0.759 51.1-130.6-151.7 101.9 42.8 58.4 16.3 87 114 A P B 34 S+e 90 0B 2 0, 0.0 126,-0.1 0, 0.0 4,-0.1 -0.032 86.3 33.1 -52.6 148.1 42.4 59.1 12.6 88 115 A G T 34 S+ 0 0 2 2,-0.7 3,-0.1 124,-0.4 194,-0.1 -0.059 104.1 73.3 97.3 -30.5 45.1 60.8 10.6 89 116 A L T <4 S+ 0 0 1 -3,-1.4 2,-0.5 1,-0.2 221,-0.1 0.807 100.9 41.6 -84.1 -31.6 47.9 59.2 12.6 90 117 A V B < +e 87 0B 6 -4,-0.5 -2,-0.7 122,-0.2 -1,-0.2 -0.976 61.3 161.7-116.2 124.9 47.5 55.8 11.0 91 118 A V + 0 0 64 -2,-0.5 120,-0.3 1,-0.3 2,-0.3 0.511 62.3 12.5-119.6 -10.8 46.8 55.8 7.3 92 119 A S > - 0 0 42 1,-0.1 4,-2.7 118,-0.1 -1,-0.3 -0.984 69.1-111.9-162.2 160.1 47.6 52.3 6.2 93 120 A Y H > S+ 0 0 25 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.907 116.4 55.1 -63.9 -42.6 48.3 48.8 7.5 94 121 A E H > S+ 0 0 170 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 113.2 41.4 -57.7 -47.8 51.9 49.0 6.3 95 122 A Q H > S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.935 114.1 52.5 -66.2 -44.0 52.5 52.2 8.3 96 123 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.915 112.7 43.0 -60.2 -46.0 50.6 51.0 11.3 97 124 A Y H >< S+ 0 0 37 -4,-3.0 3,-1.4 1,-0.2 4,-0.3 0.826 105.5 64.1 -71.6 -29.1 52.6 47.7 11.6 98 125 A S H >X S+ 0 0 37 -4,-1.8 4,-0.5 -5,-0.3 3,-0.5 0.719 89.3 72.3 -65.4 -19.0 55.9 49.6 10.9 99 126 A W G X< S+ 0 0 0 -4,-0.9 6,-1.2 -3,-0.8 3,-1.0 0.812 72.7 88.2 -60.0 -30.3 55.2 51.5 14.2 100 127 A K G <4 S+ 0 0 56 -3,-1.4 -1,-0.2 -4,-0.3 9,-0.2 0.809 105.4 15.1 -48.2 -47.7 56.0 48.5 16.3 101 128 A T G <4 S+ 0 0 109 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.297 104.1 100.1-115.0 7.4 59.8 49.0 16.6 102 129 A K S S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 127.2 55.1 -52.7 -38.4 60.2 55.1 18.3 104 131 A V H > S+ 0 0 1 202,-0.4 4,-2.2 1,-0.2 5,-0.2 0.913 111.2 44.2 -63.2 -41.4 56.5 55.5 18.6 105 132 A G H > S+ 0 0 0 -6,-1.2 4,-2.6 -3,-0.5 -1,-0.2 0.889 112.7 50.1 -72.0 -39.3 55.9 51.8 19.1 106 133 A I H X S+ 0 0 77 -4,-2.3 4,-2.3 -7,-0.3 -1,-0.2 0.930 112.6 49.5 -62.1 -42.2 58.8 51.3 21.5 107 134 A E H X S+ 0 0 38 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.927 111.1 47.4 -63.5 -44.4 57.4 54.2 23.5 108 135 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 112.0 51.5 -64.1 -40.2 53.9 52.8 23.5 109 136 A T H X S+ 0 0 28 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.892 110.9 47.7 -61.8 -41.6 55.2 49.4 24.6 110 137 A R H X S+ 0 0 120 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.869 108.2 54.0 -71.6 -36.1 57.2 50.9 27.4 111 138 A V H X S+ 0 0 4 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.947 110.1 48.3 -59.5 -48.1 54.2 53.0 28.6 112 139 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.5 0.901 109.1 53.6 -59.7 -39.9 52.2 49.7 28.8 113 140 A Q H ><5S+ 0 0 74 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.908 104.7 53.7 -61.1 -41.2 55.0 48.1 30.7 114 141 A E H 3<5S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 109.4 50.6 -66.1 -22.2 55.0 50.8 33.3 115 142 A K T 3<5S- 0 0 75 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.311 127.5 -97.7 -97.0 3.9 51.3 50.2 33.7 116 143 A G T < 5S+ 0 0 17 -3,-1.7 107,-2.5 1,-0.3 108,-0.5 0.692 84.9 116.2 93.5 23.6 51.8 46.4 34.2 117 144 A I E < -D 222 0A 0 -5,-2.6 2,-0.4 105,-0.2 -1,-0.3 -0.980 46.4-156.3-128.1 134.3 51.0 45.2 30.7 118 145 A V E -D 221 0A 3 103,-3.0 103,-2.3 -2,-0.4 2,-0.6 -0.895 20.9-130.1-104.4 138.0 53.1 43.4 28.1 119 146 A L E +D 220 0A 16 -2,-0.4 101,-0.2 101,-0.2 3,-0.1 -0.765 29.7 171.9 -85.7 118.7 52.2 43.6 24.4 120 147 A I E + 0 0 5 99,-2.5 2,-0.4 -2,-0.6 100,-0.2 0.878 66.7 13.8 -95.4 -48.0 52.2 40.1 22.9 121 148 A S E -D 219 0A 0 98,-1.9 98,-1.8 123,-0.1 2,-0.4 -0.982 67.0-137.7-135.1 126.4 50.8 40.7 19.4 122 149 A W + 0 0 7 -2,-0.4 2,-0.4 96,-0.2 126,-0.1 -0.627 29.0 177.3 -70.9 129.3 50.3 43.9 17.5 123 150 A I - 0 0 0 -2,-0.4 94,-2.9 125,-0.1 2,-0.4 -0.966 8.4-178.8-141.7 119.7 47.0 44.0 15.8 124 151 A W E -F 216 0C 2 -2,-0.4 2,-0.4 92,-0.2 92,-0.2 -0.947 7.0-167.5-115.9 144.1 45.6 46.8 13.7 125 152 A Q E -F 215 0C 1 90,-2.0 90,-2.6 -2,-0.4 2,-0.1 -0.984 14.7-139.5-137.4 127.9 42.2 46.8 12.0 126 153 A A E -F 214 0C 2 -2,-0.4 63,-1.9 88,-0.2 64,-0.3 -0.470 30.1-171.9 -76.4 153.6 40.6 49.1 9.4 127 154 A G E -G 188 0D 1 86,-2.1 2,-0.3 61,-0.3 61,-0.2 -0.280 16.0-169.7-127.6-150.7 36.9 50.0 9.9 128 155 A G E -G 187 0D 5 59,-1.3 59,-0.8 -2,-0.1 2,-0.4 -0.916 31.5 -82.3 177.3-163.8 33.9 51.6 8.4 129 156 A V E -GH 186 205D 0 76,-2.0 76,-3.1 -2,-0.3 2,-0.5 -0.981 19.7-161.5-140.0 125.0 30.4 52.7 9.3 130 157 A A E -GH 185 204D 0 55,-2.7 55,-2.6 -2,-0.4 2,-0.4 -0.902 21.6-167.0 -99.9 133.4 27.1 50.9 9.5 131 158 A S E -GH 184 203D 0 72,-2.5 71,-2.2 -2,-0.5 72,-1.6 -0.939 30.9-146.3-127.0 143.6 24.0 53.2 9.4 132 159 A R S S+ 0 0 91 51,-3.3 52,-0.1 -2,-0.4 -1,-0.1 0.597 95.8 14.1 -80.8 -9.8 20.4 52.7 10.1 133 160 A G S S- 0 0 41 1,-0.4 -2,-0.2 50,-0.4 69,-0.1 0.065 121.5 -1.7-127.1-121.7 19.6 55.2 7.3 134 161 A K S S- 0 0 150 1,-0.1 -1,-0.4 7,-0.1 69,-0.1 -0.397 86.7 -86.0 -74.4 153.5 21.7 56.7 4.5 135 162 A P - 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0 0 13 -3,-0.6 -69,-0.3 -4,-0.2 3,-0.1 -0.988 52.8-157.3-146.2 150.6 21.6 48.4 9.5 202 229 A K S S+ 0 0 150 -71,-2.2 67,-2.7 -2,-0.3 2,-0.3 0.500 78.4 37.3-103.8 -10.0 20.6 49.5 6.0 203 230 A A E -Hk 131 269D 1 -72,-1.6 -72,-2.5 65,-0.3 2,-0.4 -1.000 57.7-162.3-147.3 145.3 23.9 50.8 4.8 204 231 A L E -Hk 130 270D 1 65,-3.1 67,-2.5 -2,-0.3 2,-0.6 -0.994 7.5-159.0-131.4 129.3 27.6 50.1 5.1 205 232 A T E -Hk 129 271D 0 -76,-3.1 -76,-2.0 -2,-0.4 67,-0.2 -0.943 29.9-157.9 -98.9 118.5 30.6 52.4 4.3 206 233 A T - 0 0 2 65,-3.0 67,-0.2 -2,-0.6 3,-0.2 -0.308 28.4-132.4 -92.9 173.7 33.5 50.1 3.8 207 234 A G S > S+ 0 0 8 49,-0.4 3,-1.6 1,-0.1 65,-0.1 0.072 70.4 116.3-106.5 20.5 37.3 50.3 4.0 208 235 A R T 3 S+ 0 0 94 1,-0.3 -1,-0.1 48,-0.2 3,-0.1 0.832 85.9 30.8 -57.1 -38.6 37.8 48.6 0.6 209 236 A T T 3 S- 0 0 72 1,-0.5 -1,-0.3 -3,-0.2 2,-0.1 -0.066 138.6 -56.2-111.4 29.7 39.4 51.6 -1.1 210 237 A G < - 0 0 30 -3,-1.6 -1,-0.5 68,-0.0 63,-0.4 -0.322 53.5-132.4 115.9 162.9 40.9 52.9 2.1 211 238 A A - 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D 0 117A 0 -157,-2.8 4,-2.8 -2,-0.3 -105,-0.2 -0.519 28.5-148.5 -58.5 120.9 49.7 40.8 32.7 223 250 A K H > S+ 0 0 59 -107,-2.5 4,-3.0 -2,-0.4 5,-0.2 0.874 96.9 57.4 -59.1 -38.8 53.3 41.8 33.2 224 251 A A H > S+ 0 0 44 -108,-0.5 4,-0.7 -165,-0.3 -1,-0.2 0.900 112.6 39.3 -61.1 -42.3 53.2 40.5 36.8 225 252 A I H >> S+ 0 0 36 -166,-0.2 3,-0.7 2,-0.2 4,-0.5 0.926 116.1 51.4 -71.4 -48.5 52.2 37.1 35.6 226 253 A F H >< S+ 0 0 17 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.899 106.8 54.2 -53.2 -46.9 54.5 37.2 32.6 227 254 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 101.7 58.1 -66.8 -25.2 57.6 38.1 34.7 228 255 A K H << S+ 0 0 170 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.599 88.9 91.4 -83.2 -10.4 57.1 35.2 37.1 229 256 A L S << S- 0 0 31 -3,-1.4 5,-0.1 -4,-0.5 -3,-0.0 -0.490 92.5 -88.3 -78.8 154.9 57.4 32.7 34.3 230 257 A P >> - 0 0 63 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.254 40.0-109.2 -59.7 152.2 60.9 31.2 33.4 231 258 A K H 3> S+ 0 0 136 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.853 116.7 52.3 -50.3 -47.4 62.9 33.1 30.8 232 259 A D H 3> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.846 110.9 48.6 -65.5 -31.1 62.5 30.5 28.0 233 260 A Q H <> S+ 0 0 32 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.923 110.1 51.1 -74.1 -43.2 58.7 30.6 28.5 234 261 A R H X S+ 0 0 63 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.946 111.9 48.0 -51.5 -50.0 58.6 34.4 28.4 235 262 A D H X S+ 0 0 84 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.875 109.1 52.8 -66.7 -36.0 60.6 34.4 25.2 236 263 A M H X S+ 0 0 40 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.897 108.0 51.2 -65.4 -39.5 58.4 31.7 23.6 237 264 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 113.7 45.2 -60.3 -43.0 55.3 33.8 24.3 238 265 A M H X S+ 0 0 65 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.883 113.6 49.8 -70.6 -35.3 57.0 36.8 22.7 239 266 A T H X S+ 0 0 57 -4,-2.6 4,-1.9 2,-0.2 3,-0.2 0.967 115.7 40.1 -67.0 -52.6 58.2 34.8 19.7 240 267 A V H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.900 111.4 60.5 -66.4 -35.6 54.8 33.2 19.0 241 268 A G H >< S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.4 4,-0.3 0.907 106.0 45.8 -53.3 -47.1 53.2 36.5 19.7 242 269 A A H >< S+ 0 0 42 -4,-1.8 3,-1.5 1,-0.2 4,-0.4 0.870 107.0 59.6 -65.9 -37.3 55.2 38.2 16.9 243 270 A E H >X S+ 0 0 85 -4,-1.9 4,-0.6 1,-0.3 3,-0.5 0.752 95.5 63.0 -65.2 -21.6 54.3 35.3 14.6 244 271 A M H S+ 0 0 26 -3,-1.5 4,-2.3 -4,-0.3 -1,-0.2 0.866 88.2 53.8 -68.1 -34.0 51.0 39.4 13.4 246 273 A K H <> S+ 0 0 146 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.900 110.3 48.5 -62.1 -41.4 51.1 38.1 9.8 247 274 A F H X S+ 0 0 41 -4,-0.6 4,-2.8 2,-0.2 5,-0.2 0.918 109.6 52.1 -64.1 -44.5 47.9 36.2 10.4 248 275 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.893 110.1 48.8 -60.4 -43.1 46.3 39.4 11.8 249 276 A L H X S+ 0 0 56 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.921 114.5 44.0 -62.7 -47.5 47.3 41.4 8.8 250 277 A E H X S+ 0 0 119 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.910 114.9 48.9 -66.1 -40.5 45.9 38.8 6.3 251 278 A A H X S+ 0 0 9 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 111.7 47.8 -69.4 -41.5 42.7 38.2 8.2 252 279 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.921 112.4 49.2 -63.9 -45.5 41.9 41.9 8.6 253 280 A K H X S+ 0 0 111 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.862 111.1 50.4 -62.4 -37.3 42.6 42.6 4.9 254 281 A K H >X S+ 0 0 125 -4,-2.0 4,-3.0 1,-0.2 3,-0.5 0.928 111.6 47.1 -67.1 -43.6 40.4 39.7 3.9 255 282 A D H 3X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.862 102.0 64.9 -67.8 -32.1 37.5 40.9 6.1 256 283 A D H 3< S+ 0 0 13 -4,-2.3 -49,-0.4 1,-0.2 4,-0.3 0.852 115.5 32.0 -56.2 -34.8 37.9 44.5 4.7 257 284 A I H XX S+ 0 0 105 -4,-1.0 3,-1.1 -3,-0.5 4,-0.8 0.888 117.2 53.6 -86.8 -46.1 36.8 43.0 1.4 258 285 A D H 3X S+ 0 0 56 -4,-3.0 4,-2.1 1,-0.3 3,-0.2 0.788 95.2 68.2 -65.0 -29.3 34.5 40.2 2.6 259 286 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.852 95.0 58.5 -61.2 -32.2 32.3 42.5 4.7 260 287 A A H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.3 -1,-0.2 0.930 106.9 45.4 -62.5 -45.4 31.1 44.2 1.5 261 288 A A H X S+ 0 0 33 -4,-0.8 4,-2.4 -3,-0.2 -1,-0.2 0.890 111.2 54.3 -67.8 -36.8 29.8 40.9 0.0 262 289 A V H X S+ 0 0 47 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.944 114.3 39.4 -61.3 -48.2 28.1 40.0 3.4 263 290 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.4 0.888 113.7 54.7 -72.5 -37.5 26.2 43.3 3.6 264 291 A Q H ><5S+ 0 0 92 -4,-2.7 3,-1.9 -5,-0.2 -2,-0.2 0.946 108.0 49.6 -57.4 -48.7 25.4 43.4 -0.2 265 292 A K H 3<5S+ 0 0 180 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.4 56.9 -62.7 -30.1 23.8 39.9 0.1 266 293 A A T 3<5S- 0 0 59 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.507 122.8-106.4 -76.7 -7.8 21.8 41.1 3.1 267 294 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.504 70.7 144.3 95.6 6.1 20.3 43.9 0.9 268 295 A A < - 0 0 13 -5,-2.3 2,-0.5 1,-0.1 -1,-0.3 -0.394 58.1-109.7 -73.8 152.7 22.3 46.8 2.4 269 296 A K E -k 203 0D 110 -67,-2.7 -65,-3.1 -2,-0.1 2,-0.5 -0.746 40.5-162.7 -76.0 124.5 23.5 49.8 0.4 270 297 A V E +k 204 0D 22 -2,-0.5 2,-0.3 -67,-0.2 -65,-0.2 -0.957 14.6 168.5-121.7 126.0 27.3 49.4 0.3 271 298 A V E -k 205 0D 33 -67,-2.5 -65,-3.0 -2,-0.5 2,-0.2 -0.928 20.4-140.5-137.3 153.8 29.7 52.2 -0.6 272 299 A D - 0 0 57 -2,-0.3 2,-0.5 -67,-0.2 -65,-0.1 -0.562 23.7-106.7-107.1 175.0 33.5 52.8 -0.4 273 300 A L - 0 0 5 -63,-0.4 2,-0.1 -67,-0.2 -64,-0.0 -0.906 21.3-140.3-108.8 131.8 35.6 55.9 0.5 274 301 A S > - 0 0 65 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.422 29.8-110.8 -76.2 160.1 37.5 58.0 -2.0 275 302 A D H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.867 119.3 53.5 -59.1 -37.4 41.0 59.4 -1.0 276 303 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 107.7 48.8 -67.1 -40.0 39.6 62.9 -0.8 277 304 A T H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.943 110.1 51.9 -63.7 -46.4 36.8 61.8 1.6 278 305 A I H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.939 107.7 53.1 -55.0 -45.3 39.3 60.0 3.7 279 306 A K H X S+ 0 0 111 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.859 101.9 59.4 -60.2 -37.5 41.4 63.2 3.8 280 307 A K H X S+ 0 0 79 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.926 109.0 43.2 -56.5 -45.0 38.4 65.2 5.0 281 308 A W H X S+ 0 0 1 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.892 114.8 49.2 -67.4 -41.2 38.1 63.1 8.1 282 309 A Q H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.881 108.7 53.6 -68.3 -37.3 41.8 63.1 8.7 283 310 A D H X S+ 0 0 62 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.892 107.8 50.4 -62.8 -40.3 42.0 66.9 8.3 284 311 A I H >X S+ 0 0 18 -4,-1.7 3,-0.8 -5,-0.2 4,-0.7 0.925 108.5 53.9 -64.4 -39.7 39.3 67.2 10.9 285 312 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-1.3 0.919 102.5 56.5 -57.2 -44.5 41.3 65.0 13.2 286 313 A R H 3<5S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.748 112.8 42.0 -61.2 -25.8 44.4 67.1 12.9 287 314 A K H <<5S+ 0 0 142 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.439 131.2 14.2-100.4 -7.9 42.5 70.2 14.1 288 315 A T T XX5S+ 0 0 24 -3,-1.3 4,-2.4 -4,-0.7 3,-0.5 0.497 126.0 35.9-132.6 -75.9 40.5 68.6 17.0 289 316 A A H 3>5S+ 0 0 0 -5,-0.3 4,-2.9 1,-0.2 5,-0.3 0.866 113.2 57.9 -57.3 -43.9 41.4 65.2 18.2 290 317 A W H 3> S+ 0 0 159 -3,-0.5 4,-2.3 -6,-0.4 -2,-0.2 0.931 112.4 50.2 -70.3 -46.6 45.0 68.7 20.1 292 319 A D H < S+ 0 0 41 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.913 117.7 40.3 -57.1 -46.2 42.9 67.0 22.6 293 320 A Y H >< S+ 0 0 2 -4,-2.9 3,-1.4 -5,-0.2 4,-0.5 0.972 116.3 47.0 -67.6 -55.4 45.2 64.0 22.7 294 321 A G H 3< S+ 0 0 12 -4,-2.7 7,-0.3 -5,-0.3 3,-0.3 0.819 111.0 49.8 -64.4 -32.4 48.6 65.8 22.6 295 322 A A T 3< S+ 0 0 85 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.567 88.2 88.3 -83.7 -6.3 47.8 68.4 25.3 296 323 A K S < S- 0 0 136 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.914 104.4 -32.4 -61.9 -50.0 46.6 65.8 27.8 297 324 A N > - 0 0 55 -4,-0.5 4,-2.1 -3,-0.3 3,-0.3 -0.952 66.8 -88.3-161.2 175.2 49.9 65.0 29.4 298 325 A E H > S+ 0 0 164 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.859 122.1 56.4 -64.0 -35.6 53.6 64.7 28.6 299 326 A G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 108.7 46.3 -62.6 -39.4 53.3 61.1 27.5 300 327 A C H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 110.4 53.4 -69.4 -42.8 50.6 61.9 25.0 301 328 A A H X S+ 0 0 46 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.910 111.8 46.4 -56.7 -44.0 52.6 64.8 23.6 302 329 A K H X S+ 0 0 97 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 112.6 47.9 -66.1 -48.9 55.6 62.5 23.1 303 330 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.880 111.2 51.5 -59.9 -39.6 53.6 59.8 21.5 304 331 A L H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.944 111.4 47.0 -63.8 -46.3 51.9 62.2 19.1 305 332 A A H X S+ 0 0 43 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.914 114.6 46.9 -61.8 -43.4 55.3 63.7 18.0 306 333 A L H < S+ 0 0 29 -4,-2.5 -202,-0.4 1,-0.2 4,-0.3 0.880 111.6 50.5 -68.8 -36.0 56.8 60.3 17.5 307 334 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.901 105.5 57.5 -66.3 -39.9 53.7 59.1 15.6 308 335 A Q H >< S+ 0 0 79 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.816 94.1 66.9 -59.8 -30.9 53.9 62.2 13.4 309 336 A Q T 3< S+ 0 0 137 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.700 95.5 58.1 -63.2 -18.7 57.5 61.2 12.4 310 337 A T T < 0 0 27 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.549 360.0 360.0 -90.0 -7.6 56.0 58.2 10.6 311 338 A L < 0 0 87 -3,-1.5 -221,-0.0 -4,-0.3 -222,-0.0 -0.719 360.0 360.0 -83.8 360.0 53.8 60.2 8.3