==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-AUG-13 4MHF . COMPND 2 MOLECULE: TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: POLAROMONAS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 301 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 8.3 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 . 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 4 1 1 2 1 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 31 A T 0 0 86 0, 0.0 35,-2.3 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 169.5 -3.3 10.8 46.5 2 32 A E E -a 36 0A 112 33,-0.2 35,-0.2 35,-0.1 2,-0.1 -0.915 360.0-160.6-106.5 102.6 -2.2 14.4 46.2 3 33 A F E -a 37 0A 4 33,-2.8 35,-3.0 -2,-0.7 2,-0.4 -0.479 8.2-135.8 -76.9 154.4 1.1 14.8 48.0 4 34 A R E -a 38 0A 90 33,-0.2 58,-2.0 -2,-0.1 2,-0.3 -0.912 19.4-174.5-112.4 141.6 2.4 18.1 49.2 5 35 A S E -ab 39 62A 1 33,-2.3 35,-3.5 -2,-0.4 2,-0.3 -0.991 12.5-141.3-134.8 143.0 6.0 19.3 48.7 6 36 A A E +ab 40 63A 3 56,-1.2 58,-2.2 -2,-0.3 2,-0.3 -0.806 16.6 177.2-106.5 147.1 7.7 22.5 50.0 7 37 A D - 0 0 4 33,-2.3 36,-2.0 -2,-0.3 37,-0.4 -0.983 22.9-150.0-145.7 135.9 10.3 24.9 48.4 8 38 A T + 0 0 11 56,-0.5 2,-0.1 -2,-0.3 33,-0.1 0.695 66.7 102.8 -76.1 -19.8 11.7 28.1 49.9 9 39 A H - 0 0 9 1,-0.1 33,-2.7 33,-0.1 34,-0.3 -0.398 61.4-148.9 -75.4 142.4 12.3 29.8 46.6 10 40 A N + 0 0 102 31,-0.2 2,-0.2 32,-0.2 -1,-0.1 0.817 68.8 94.5 -77.3 -32.0 9.9 32.5 45.5 11 41 A A > - 0 0 27 1,-0.2 3,-1.6 2,-0.1 6,-0.2 -0.434 65.1-149.0 -72.0 128.7 10.1 32.0 41.7 12 42 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.735 100.5 44.6 -66.3 -21.9 7.5 29.7 40.3 13 43 A D T 3 S+ 0 0 103 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.100 78.4 139.2-108.7 19.4 10.0 28.6 37.6 14 44 A Y X> - 0 0 0 -3,-1.6 4,-2.9 1,-0.1 3,-0.8 -0.394 65.7-114.5 -62.1 144.5 13.0 28.1 39.9 15 45 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.836 114.9 49.1 -56.4 -36.4 14.8 25.0 38.8 16 46 A T H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.847 113.7 47.2 -69.9 -32.3 14.1 23.1 42.0 17 47 A V H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.933 113.3 47.7 -72.1 -48.9 10.4 24.0 41.8 18 48 A A H X S+ 0 0 20 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.883 110.1 55.1 -57.1 -39.3 10.2 23.0 38.2 19 49 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.896 107.8 45.2 -67.7 -42.3 12.0 19.8 38.9 20 50 A V H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 111.7 53.9 -71.7 -33.4 9.6 18.6 41.6 21 51 A K H X S+ 0 0 86 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.928 109.5 48.8 -60.4 -41.3 6.6 19.6 39.4 22 52 A Y H X S+ 0 0 73 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 108.4 53.3 -62.4 -46.2 8.2 17.4 36.7 23 53 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.913 106.5 53.6 -51.9 -44.6 8.6 14.6 39.2 24 54 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.910 107.4 50.3 -59.3 -43.1 4.9 14.9 39.9 25 55 A E H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 111.6 48.0 -62.3 -41.7 4.1 14.6 36.2 26 56 A L H X S+ 0 0 25 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.909 111.0 51.4 -64.4 -40.2 6.3 11.4 36.0 27 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 8,-0.4 0.893 106.7 53.3 -65.3 -39.5 4.6 10.1 39.2 28 58 A E H <>S+ 0 0 84 -4,-2.4 5,-2.9 2,-0.2 6,-0.3 0.925 113.0 45.1 -58.4 -45.6 1.1 10.7 37.7 29 59 A K H ><5S+ 0 0 176 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.959 113.8 47.0 -64.0 -50.5 2.2 8.7 34.6 30 60 A K H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 115.6 46.7 -63.4 -28.0 3.8 5.8 36.5 31 61 A S T ><5S- 0 0 18 -4,-2.0 3,-1.3 4,-0.2 -1,-0.3 0.259 112.7-114.7 -99.7 9.5 0.8 5.5 38.8 32 62 A G T < 5S- 0 0 75 -3,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.780 78.1 -49.5 63.0 27.2 -1.8 5.6 36.1 33 63 A G T 3 + 0 0 17 -2,-0.9 3,-1.9 -35,-0.2 -31,-0.2 -0.023 49.2 68.6 -87.8-163.6 7.0 27.4 46.9 42 72 A K T 3 S- 0 0 98 -33,-2.7 -34,-0.2 1,-0.3 -32,-0.2 0.721 121.8 -81.9 60.9 26.4 7.5 30.9 48.4 43 73 A Q T > S+ 0 0 74 -36,-2.0 3,-1.8 -34,-0.3 -1,-0.3 0.756 84.8 152.9 44.7 35.0 8.2 29.1 51.7 44 74 A A T < S+ 0 0 70 -3,-1.9 -2,-0.1 -37,-0.4 -1,-0.1 0.771 71.4 43.8 -61.0 -29.3 4.4 28.9 52.1 45 75 A L T 3 S- 0 0 48 -5,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.328 128.5 -77.0 -99.4 5.9 4.8 25.8 54.3 46 76 A G < - 0 0 12 -3,-1.8 -1,-0.4 -39,-0.1 -39,-0.1 -0.572 59.7 -51.0 129.6 171.3 7.7 27.2 56.4 47 77 A S > - 0 0 16 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.244 65.7 -95.4 -63.7 169.6 11.4 27.9 56.3 48 78 A E H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.948 128.7 49.8 -54.0 -51.0 13.6 25.0 55.3 49 79 A K H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 111.6 48.0 -55.2 -45.6 14.2 24.1 58.9 50 80 A E H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 111.0 50.1 -64.7 -41.8 10.5 24.2 59.7 51 81 A T H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.858 105.1 57.4 -68.3 -33.0 9.6 22.1 56.7 52 82 A I H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.931 108.6 46.7 -60.9 -42.6 12.2 19.5 57.6 53 83 A D H X S+ 0 0 70 -4,-1.7 4,-1.7 1,-0.2 6,-0.2 0.881 110.1 53.1 -68.5 -36.6 10.5 19.1 61.0 54 84 A Q H <>S+ 0 0 81 -4,-1.9 5,-1.8 2,-0.2 6,-1.4 0.884 110.4 47.6 -64.2 -37.0 7.0 18.9 59.4 55 85 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.4 4,-0.2 163,-0.3 0.931 106.7 58.6 -68.7 -42.1 8.3 16.1 57.1 56 86 A K H 3<5S+ 0 0 91 -4,-2.5 162,-0.2 1,-0.3 -2,-0.2 0.882 110.5 41.3 -52.8 -42.4 9.8 14.3 60.1 57 87 A I T 3<5S- 0 0 105 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.457 116.5-110.6 -91.0 0.6 6.4 14.1 61.9 58 88 A G T < 5S+ 0 0 16 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.558 87.8 114.5 85.2 9.2 4.5 13.1 58.7 59 89 A A S S+ 0 0 0 143,-2.4 3,-1.5 1,-0.2 4,-0.5 0.806 103.3 82.9 -61.9 -25.1 21.8 19.8 52.5 68 98 A G G > S+ 0 0 0 1,-0.3 3,-1.9 142,-0.2 4,-0.3 0.906 92.2 40.8 -45.5 -62.2 22.9 22.6 54.9 69 99 A P G 3 S+ 0 0 22 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.563 112.6 58.6 -70.7 -4.4 19.9 22.4 57.3 70 100 A M G <> S+ 0 0 0 -3,-1.5 4,-2.8 -4,-0.4 7,-0.3 0.432 77.2 99.7 -91.9 -2.5 20.0 18.6 57.1 71 101 A N T <4 S+ 0 0 2 -3,-1.9 7,-0.3 -4,-0.5 -1,-0.1 0.837 88.9 33.6 -60.1 -38.9 23.6 18.5 58.3 72 102 A A T 4 S+ 0 0 86 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.872 121.0 47.0 -83.1 -36.5 22.7 17.6 62.0 73 103 A I T 4 S+ 0 0 66 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.852 128.2 23.5 -79.6 -33.5 19.7 15.4 61.4 74 104 A a S >< S- 0 0 2 -4,-2.8 3,-2.4 -7,-0.2 -1,-0.3 -0.802 78.8-169.1-127.5 86.8 21.2 13.3 58.6 75 105 A P G > S+ 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.754 76.7 67.2 -60.2 -28.2 24.9 13.6 59.2 76 106 A L G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 28,-0.1 0.718 84.7 74.8 -66.9 -14.5 26.2 12.1 56.0 77 107 A T G <> S+ 0 0 0 -3,-2.4 4,-0.5 -7,-0.3 -1,-0.3 0.716 82.3 71.7 -65.7 -15.4 24.7 15.1 54.2 78 108 A Q H X> S+ 0 0 25 -3,-2.2 4,-1.0 -7,-0.3 3,-0.8 0.832 83.3 70.5 -63.2 -32.1 27.7 16.9 55.7 79 109 A V H X4 S+ 0 0 1 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.2 0.959 102.6 38.1 -54.7 -57.2 30.0 15.0 53.2 80 110 A P H 34 S+ 0 0 2 0, 0.0 128,-0.4 0, 0.0 -1,-0.3 0.562 110.7 63.1 -76.9 -3.1 28.8 16.8 50.1 81 111 A T H << S+ 0 0 0 -3,-0.8 128,-0.3 -4,-0.5 -2,-0.2 0.665 78.3 117.9 -78.7 -22.5 28.7 20.1 52.0 82 112 A M S X< S- 0 0 1 -3,-1.4 3,-1.3 -4,-1.0 126,-0.4 -0.101 75.5-100.4 -59.3 143.8 32.4 19.9 52.7 83 113 A P T 3 S- 0 0 1 0, 0.0 124,-0.2 0, 0.0 -1,-0.1 -0.414 96.1 -8.0 -70.0 132.2 34.5 22.8 51.3 84 114 A F T 3 S+ 0 0 35 121,-0.3 123,-0.1 -2,-0.2 -2,-0.1 0.772 88.6 135.0 58.8 29.4 36.4 22.0 48.1 85 115 A L < + 0 0 5 -3,-1.3 2,-0.3 -5,-0.1 -1,-0.1 0.933 62.6 52.0 -69.7 -50.0 35.5 18.4 48.2 86 116 A F S S- 0 0 14 -4,-0.3 3,-0.1 -6,-0.1 211,-0.1 -0.684 71.4-148.4 -91.2 146.2 34.6 18.2 44.5 87 117 A S S S- 0 0 103 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.654 77.4 -9.7 -87.4 -15.3 37.0 19.4 41.8 88 118 A S S > S- 0 0 46 1,-0.1 4,-2.2 120,-0.0 -1,-0.2 -0.971 74.0 -94.1-168.9 166.9 34.2 20.5 39.4 89 119 A I H > S+ 0 0 55 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.905 123.8 55.1 -60.2 -43.1 30.4 20.4 38.8 90 120 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 108.1 48.9 -57.1 -41.1 30.9 17.3 36.6 91 121 A H H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 109.9 51.5 -65.1 -44.6 32.7 15.6 39.5 92 122 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.907 111.3 48.3 -57.0 -44.7 29.9 16.5 41.9 93 123 A R H X S+ 0 0 55 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.930 111.8 47.4 -64.9 -47.4 27.3 15.1 39.5 94 124 A K H X S+ 0 0 109 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.922 114.8 47.7 -60.4 -44.0 29.1 11.8 39.0 95 125 A S H < S+ 0 0 5 -4,-2.6 6,-1.8 1,-0.2 5,-0.4 0.929 114.9 43.2 -62.7 -48.5 29.7 11.4 42.7 96 126 A L H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.0 52.5 -72.8 -27.7 26.1 12.1 43.7 97 127 A D H < S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.750 109.6 59.5 -76.4 -24.2 24.6 10.0 40.9 98 128 A G S X S- 0 0 19 -4,-1.2 4,-2.3 -3,-0.2 5,-0.2 0.048 114.1 -61.0 -93.7-160.1 26.7 7.0 42.0 99 129 A P H > S+ 0 0 114 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.767 127.0 59.0 -60.9 -28.0 27.1 4.9 45.1 100 130 A V H > S+ 0 0 14 -5,-0.4 4,-2.2 2,-0.2 -4,-0.2 0.977 110.6 40.8 -63.0 -54.1 28.3 7.8 47.2 101 131 A G H > S+ 0 0 0 -6,-1.8 4,-2.7 1,-0.2 5,-0.2 0.921 114.8 51.8 -59.8 -43.9 25.1 9.8 46.7 102 132 A D H X S+ 0 0 76 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 108.5 51.1 -65.2 -37.9 22.9 6.8 47.0 103 133 A E H X S+ 0 0 60 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.932 110.6 49.4 -63.2 -45.3 24.4 5.7 50.3 104 134 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.942 110.5 49.9 -59.2 -47.7 23.9 9.2 51.7 105 135 A L H >< S+ 0 0 12 -4,-2.7 3,-1.1 1,-0.2 10,-1.0 0.928 111.8 48.2 -55.0 -47.8 20.3 9.2 50.6 106 136 A K H >< S+ 0 0 131 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.820 101.2 66.0 -64.9 -29.6 19.6 5.9 52.2 107 137 A S H >< S+ 0 0 33 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.694 87.0 69.6 -67.3 -18.6 21.3 6.9 55.5 108 138 A a G X<>S+ 0 0 0 -3,-1.1 3,-1.7 -4,-0.7 5,-1.7 0.662 76.9 81.5 -75.2 -14.5 18.6 9.5 56.2 109 139 A E G X 5S+ 0 0 77 -3,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.849 81.3 64.3 -60.7 -32.8 16.0 6.8 56.8 110 140 A S G < 5S+ 0 0 118 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.715 105.0 47.0 -61.9 -21.0 17.3 6.4 60.4 111 141 A A G < 5S- 0 0 23 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.394 130.0 -91.2-102.0 -0.5 16.2 10.0 61.1 112 142 A G T < 5S+ 0 0 15 -3,-1.6 105,-2.3 -4,-0.4 2,-0.4 0.579 90.1 111.4 104.9 13.7 12.8 9.7 59.5 113 143 A F E < -D 216 0A 0 -5,-1.7 2,-0.8 103,-0.2 -1,-0.3 -0.969 56.1-146.2-128.1 132.1 13.5 10.8 56.0 114 144 A I E -D 215 0A 2 101,-3.2 101,-2.3 -2,-0.4 2,-0.4 -0.869 23.8-144.0 -93.5 109.9 13.5 8.9 52.7 115 145 A G E +D 214 0A 3 -10,-1.0 99,-0.2 -2,-0.8 3,-0.1 -0.645 28.9 167.1 -76.2 124.3 16.2 10.4 50.6 116 146 A L E - 0 0 12 97,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.732 51.2 -8.1-113.5 -32.5 15.1 10.5 47.0 117 147 A A E -D 213 0A 4 96,-1.1 96,-2.6 -12,-0.1 2,-0.5 -0.980 46.2-131.7-165.3 151.5 17.4 12.7 44.9 118 148 A F E -D 212 0A 7 -2,-0.3 2,-0.4 94,-0.2 94,-0.2 -0.952 26.5-160.9-103.8 132.6 20.1 15.2 44.9 119 149 A Y E -D 211 0A 0 92,-1.7 92,-2.8 -2,-0.5 2,-0.1 -0.884 26.0-100.8-112.0 146.5 19.6 18.3 42.8 120 150 A D + 0 0 1 -2,-0.4 89,-0.1 119,-0.2 -104,-0.0 -0.378 36.7 169.2 -64.3 138.5 22.3 20.7 41.5 121 151 A S - 0 0 1 1,-0.4 64,-0.1 87,-0.3 -1,-0.1 0.002 38.1-135.0-133.4 23.6 22.9 24.0 43.3 122 152 A G - 0 0 0 86,-0.1 -1,-0.4 63,-0.1 2,-0.4 -0.153 47.1 -44.7 57.5-153.6 26.1 25.0 41.6 123 153 A A - 0 0 20 61,-0.1 2,-0.4 85,-0.1 63,-0.2 -0.907 55.4-126.9-113.4 143.6 28.9 26.4 43.7 124 154 A R E +E 207 0B 5 83,-2.8 82,-1.3 -2,-0.4 83,-0.7 -0.768 29.4 178.0 -95.7 136.4 28.5 28.9 46.5 125 155 A S E - F 0 184B 2 59,-2.1 59,-2.2 -2,-0.4 2,-0.2 -0.933 32.0 -96.8-135.8 154.5 30.5 32.1 46.7 126 156 A I E -EF 202 183B 0 76,-0.8 76,-2.6 -2,-0.3 2,-0.4 -0.480 31.9-169.2 -72.7 135.7 30.7 35.1 49.0 127 157 A Y E +EF 201 182B 0 55,-2.8 55,-2.1 74,-0.2 2,-0.3 -0.993 23.5 134.8-125.8 143.4 28.8 38.2 48.1 128 158 A A E -EF 200 181B 1 72,-2.3 72,-2.1 -2,-0.4 53,-0.2 -0.871 66.6 -82.9-164.0-175.4 29.4 41.5 50.0 129 159 A K S S+ 0 0 120 51,-0.6 52,-0.1 -2,-0.3 72,-0.1 0.400 111.5 35.6 -93.5 3.3 29.9 45.2 49.7 130 160 A K S S- 0 0 107 70,-0.2 72,-0.1 7,-0.0 -2,-0.1 -0.968 96.5 -88.0-149.4 157.1 33.7 44.7 49.0 131 161 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.406 25.8-158.5 -69.3 147.2 35.8 42.1 47.2 132 162 A I + 0 0 0 -6,-0.2 -6,-0.1 1,-0.1 3,-0.1 -0.826 28.8 154.9-124.3 86.2 37.0 39.1 49.2 133 163 A R + 0 0 117 -2,-0.4 135,-1.8 134,-0.1 2,-0.3 0.664 65.8 16.3 -92.4 -19.2 40.1 37.9 47.2 134 164 A T S >> S- 0 0 46 133,-0.1 3,-1.0 137,-0.1 4,-0.8 -0.927 85.9-100.9-144.4 162.0 42.0 36.1 49.9 135 165 A V H >> S+ 0 0 31 -2,-0.3 4,-0.8 1,-0.3 3,-0.5 0.818 120.0 66.1 -59.0 -27.4 41.1 34.8 53.4 136 166 A A H >4 S+ 0 0 75 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.900 98.0 52.0 -60.8 -36.7 42.7 37.8 54.8 137 167 A D H <4 S+ 0 0 67 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 106.2 56.2 -66.8 -24.9 40.0 40.0 53.2 138 168 A A H X< S+ 0 0 0 -4,-0.8 3,-2.5 -3,-0.5 -1,-0.2 0.608 76.5 122.5 -82.0 -13.9 37.4 37.7 54.9 139 169 A K T << S- 0 0 171 -3,-0.8 21,-0.3 -4,-0.8 20,-0.1 -0.285 87.9 -0.9 -58.3 124.3 38.7 38.3 58.3 140 170 A G T 3 S+ 0 0 54 19,-2.8 -1,-0.3 1,-0.2 20,-0.2 0.461 88.8 156.6 78.1 2.7 35.9 39.7 60.5 141 171 A L < - 0 0 6 -3,-2.5 20,-2.8 1,-0.1 2,-1.3 -0.411 44.5-132.2 -69.0 129.6 33.3 39.7 57.7 142 172 A K E +g 161 0B 81 -2,-0.2 38,-2.2 18,-0.2 39,-1.2 -0.673 44.3 168.9 -84.5 94.9 29.8 39.6 59.1 143 173 A I E -gh 162 181B 0 18,-1.6 20,-2.7 -2,-1.3 39,-0.2 -0.928 32.9-132.3-124.4 129.3 28.4 36.9 56.9 144 174 A R E +g 163 0B 2 37,-2.5 39,-0.3 -2,-0.4 2,-0.3 -0.548 27.3 177.7 -74.7 137.0 25.2 34.9 57.0 145 175 A V E -g 164 0B 0 18,-2.3 20,-2.1 -2,-0.2 7,-0.1 -0.864 35.4 -87.8-125.4 167.0 25.4 31.1 56.6 146 176 A Q - 0 0 13 -2,-0.3 2,-1.8 18,-0.2 6,-0.1 -0.173 57.8 -82.3 -65.7 169.8 22.8 28.4 56.6 147 177 A Q S S+ 0 0 68 18,-0.1 2,-0.3 17,-0.1 -1,-0.1 -0.508 87.5 99.4 -89.2 74.9 21.8 26.8 59.9 148 178 A S S > S- 0 0 13 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.983 70.6-127.8-149.2 150.6 24.3 24.1 60.7 149 179 A D H > S+ 0 0 135 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.877 112.7 55.9 -61.4 -37.3 27.4 23.9 62.9 150 180 A L H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.929 106.8 49.2 -60.7 -43.3 29.4 22.7 59.8 151 181 A W H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.920 110.5 49.9 -65.3 -40.7 28.4 25.8 57.9 152 182 A V H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 10,-0.2 0.930 115.1 44.7 -59.2 -44.0 29.4 28.1 60.8 153 183 A A H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.895 108.6 57.1 -68.6 -41.0 32.8 26.3 61.0 154 184 A L H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.946 116.2 33.9 -57.3 -51.3 33.4 26.3 57.2 155 185 A V H ><>S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 5,-1.3 0.842 112.3 61.9 -78.2 -30.9 33.1 30.0 56.9 156 186 A S H ><5S+ 0 0 53 -4,-2.2 3,-2.3 -5,-0.3 -1,-0.2 0.826 93.0 66.8 -59.2 -31.0 34.7 30.7 60.4 157 187 A A T 3<5S+ 0 0 35 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 93.7 58.7 -64.9 -22.7 37.8 28.9 59.0 158 188 A M T < 5S- 0 0 4 -3,-1.3 -1,-0.3 -4,-0.3 -20,-0.2 0.437 124.3-107.3 -79.5 -1.3 38.2 31.9 56.7 159 189 A G T < 5S+ 0 0 38 -3,-2.3 -19,-2.8 1,-0.3 -3,-0.2 0.450 76.9 138.6 86.4 1.7 38.3 34.2 59.7 160 190 A A < - 0 0 7 -5,-1.3 2,-1.1 -21,-0.3 -1,-0.3 -0.305 64.0-114.8 -79.0 163.3 34.8 35.5 59.0 161 191 A N E -g 142 0B 87 -20,-2.8 -18,-1.6 -23,-0.2 2,-0.3 -0.789 39.3-156.6-100.0 86.6 32.1 36.1 61.6 162 192 A A E -g 143 0B 12 -2,-1.1 -18,-0.2 -10,-0.2 -20,-0.1 -0.528 10.2-168.8 -79.9 134.7 29.6 33.5 60.4 163 193 A T E -g 144 0B 38 -20,-2.7 -18,-2.3 -2,-0.3 2,-0.3 -0.964 14.3-140.8-128.4 107.5 26.0 34.1 61.4 164 194 A P E +g 145 0B 70 0, 0.0 -18,-0.2 0, 0.0 -17,-0.1 -0.578 36.5 151.8 -77.6 126.4 23.4 31.3 60.9 165 195 A M - 0 0 18 -20,-2.1 -18,-0.1 -2,-0.3 2,-0.1 -0.974 48.1 -98.0-143.8 154.9 20.0 32.6 59.6 166 196 A P > - 0 0 23 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.456 40.6-112.4 -70.5 150.4 17.1 31.1 57.6 167 197 A Y G > S+ 0 0 33 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.826 110.6 63.2 -53.3 -42.0 17.2 32.1 53.9 168 198 A G G 3 S+ 0 0 47 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.662 100.1 53.9 -63.9 -17.7 14.1 34.3 54.0 169 199 A E G <> S+ 0 0 111 -3,-1.8 4,-1.7 1,-0.1 -1,-0.3 0.487 87.7 83.6 -91.2 -4.5 15.7 36.7 56.4 170 200 A V H <> S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.3 5,-0.2 0.926 83.6 53.3 -72.1 -45.6 18.8 37.3 54.2 171 201 A Y H > S+ 0 0 52 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.953 114.1 41.2 -56.4 -53.9 17.5 40.0 51.9 172 202 A T H > S+ 0 0 77 -4,-0.4 4,-2.6 1,-0.2 6,-0.3 0.872 112.2 56.7 -62.8 -35.2 16.3 42.3 54.6 173 203 A G H X>S+ 0 0 2 -4,-1.7 6,-1.7 1,-0.2 5,-1.3 0.904 110.7 43.6 -63.7 -40.7 19.4 41.7 56.7 174 204 A L H <5S+ 0 0 5 -4,-2.6 3,-0.2 3,-0.2 -2,-0.2 0.891 113.7 50.9 -69.1 -41.8 21.6 42.8 53.8 175 205 A K H <5S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.930 116.2 40.1 -61.5 -45.0 19.5 45.8 53.0 176 206 A T H <5S- 0 0 99 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.583 111.5-115.7 -85.4 -10.2 19.4 47.1 56.6 177 207 A G T <5S+ 0 0 28 -4,-0.8 -3,-0.2 2,-0.3 -4,-0.1 0.582 77.2 128.8 86.0 11.5 23.1 46.3 57.3 178 208 A L S - 0 0 0 -2,-0.3 4,-2.2 -61,-0.2 5,-0.2 -0.260 55.1-102.5 -73.8 169.2 25.1 30.4 43.9 186 216 A I H > S+ 0 0 14 -63,-0.2 4,-2.5 1,-0.2 5,-0.2 0.911 117.9 55.6 -66.2 -43.8 24.4 33.0 41.3 187 217 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.859 111.1 45.7 -60.2 -33.2 20.7 32.1 40.8 188 218 A S H > S+ 0 0 3 2,-0.2 4,-2.4 3,-0.2 6,-0.5 0.935 110.7 51.9 -70.5 -49.2 20.0 32.6 44.5 189 219 A F H < S+ 0 0 0 -4,-2.2 6,-2.0 1,-0.2 5,-0.5 0.890 119.9 38.5 -50.7 -42.0 22.0 35.9 44.6 190 220 A D H >< S+ 0 0 26 -4,-2.5 3,-1.7 4,-0.2 -2,-0.2 0.979 118.6 41.4 -71.5 -63.1 19.8 37.0 41.7 191 221 A T H 3< S+ 0 0 37 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.773 113.6 51.2 -71.3 -28.7 16.3 35.6 42.4 192 222 A A T 3< S- 0 0 20 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 0.440 111.4-122.6 -83.9 0.0 16.3 36.4 46.2 193 223 A K X> + 0 0 103 -3,-1.7 3,-1.7 -5,-0.2 4,-0.6 0.578 69.7 136.9 74.9 14.9 17.3 40.0 45.2 194 224 A H H >> + 0 0 2 -6,-0.5 4,-2.2 -5,-0.5 3,-1.2 0.847 65.6 66.0 -62.2 -31.3 20.5 39.9 47.3 195 225 A V H 34 S+ 0 0 9 -6,-2.0 -1,-0.3 1,-0.3 -5,-0.1 0.754 90.7 64.1 -59.4 -26.7 22.2 41.6 44.4 196 226 A E H <4 S+ 0 0 107 -3,-1.7 -1,-0.3 -7,-0.3 -2,-0.2 0.843 111.6 35.8 -64.1 -32.2 20.0 44.6 45.0 197 227 A A H << S+ 0 0 30 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.825 128.5 23.0 -90.6 -42.5 21.7 45.1 48.4 198 228 A V < - 0 0 3 -4,-2.2 -1,-0.3 1,-0.1 -69,-0.2 -0.999 57.4-171.5-134.2 136.2 25.3 44.0 47.8 199 229 A K + 0 0 74 -2,-0.4 64,-2.8 -3,-0.1 2,-0.8 0.567 54.5 93.1-106.4 -11.8 27.1 44.0 44.4 200 230 A V E -Ei 128 263B 11 -72,-2.1 -72,-2.3 62,-0.2 2,-0.7 -0.764 47.5-174.0-100.2 111.2 30.4 42.3 44.9 201 231 A Y E -Ei 127 264B 8 62,-2.7 64,-3.0 -2,-0.8 2,-0.6 -0.887 6.3-164.8-106.2 105.7 30.4 38.6 44.1 202 232 A S E -Ei 126 265B 1 -76,-2.6 2,-2.7 -2,-0.7 -76,-0.8 -0.838 20.3-132.4-100.0 117.8 33.7 37.0 44.9 203 233 A K E + 0 0 52 62,-3.0 64,-0.4 -2,-0.6 66,-0.1 -0.284 52.2 143.1 -77.1 64.9 34.1 33.6 43.4 204 234 A T E - 0 0 0 -2,-2.7 -1,-0.2 -78,-0.2 -79,-0.2 0.781 36.1-163.1 -71.4 -30.6 35.4 31.6 46.4 205 235 A E E + 0 0 51 -3,-0.3 -121,-0.3 1,-0.2 -80,-0.2 0.874 24.4 163.4 48.3 48.5 33.3 28.5 45.3 206 236 A H E + 0 0 0 -82,-1.3 2,-0.3 -123,-0.1 -1,-0.2 0.428 56.0 17.3 -87.6 -1.7 33.8 27.2 48.8 207 237 A S E -E 124 0B 3 -83,-0.7 -83,-2.8 -124,-0.2 -126,-0.1 -0.951 44.1-161.6-160.0 153.4 31.1 24.6 48.7 208 238 A M + 0 0 25 -128,-0.4 -87,-0.3 -126,-0.4 -127,-0.1 0.030 31.9 171.3-118.0 23.5 28.9 22.7 46.2 209 239 A A - 0 0 0 -128,-0.3 -128,-0.2 1,-0.1 -141,-0.1 -0.042 23.1-147.9 -32.5 110.6 26.4 21.7 48.9 210 240 A P - 0 0 0 0, 0.0 -143,-2.4 0, 0.0 2,-0.3 -0.254 13.1-100.7 -84.1 172.4 23.6 20.1 46.7 211 241 A E E -CD 66 119A 4 -92,-2.8 -92,-1.7 -145,-0.3 2,-0.4 -0.654 32.2-153.4 -82.6 152.9 19.9 20.1 47.3 212 242 A I E -CD 65 118A 0 -147,-3.0 -147,-2.3 -2,-0.3 2,-0.6 -0.994 5.4-150.4-126.6 135.1 18.2 17.0 48.7 213 243 A L E -CD 64 117A 0 -96,-2.6 -97,-2.8 -2,-0.4 -96,-1.1 -0.931 24.0-176.6 -99.6 122.8 14.6 15.9 48.1 214 244 A V E -CD 63 115A 0 -151,-2.5 -151,-2.2 -2,-0.6 2,-0.3 -0.928 15.3-154.2-121.4 146.7 13.3 14.0 51.1 215 245 A M E -CD 62 114A 0 -101,-2.3 -101,-3.2 -2,-0.4 2,-0.3 -0.883 35.0 -98.9-109.9 149.2 10.0 12.2 51.8 216 246 A S E > - D 0 113A 0 -155,-2.6 4,-2.7 -2,-0.3 -103,-0.2 -0.517 23.5-147.7 -64.1 123.5 8.5 11.5 55.2 217 247 A K H > S+ 0 0 59 -105,-2.3 4,-2.8 -2,-0.3 5,-0.2 0.895 98.2 59.8 -56.6 -40.4 9.2 8.0 56.2 218 248 A I H 4 S+ 0 0 77 -106,-0.4 4,-0.5 -163,-0.3 -1,-0.2 0.929 112.3 38.0 -55.5 -46.0 5.9 7.9 58.1 219 249 A I H >4 S+ 0 0 36 -164,-0.2 3,-1.3 1,-0.2 4,-0.5 0.948 116.0 51.8 -71.3 -49.2 4.0 8.6 54.9 220 250 A Y H >< S+ 0 0 17 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.894 102.6 59.5 -53.3 -44.3 6.2 6.4 52.6 221 251 A D T 3< S+ 0 0 78 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.681 100.2 56.8 -65.6 -19.2 6.0 3.3 54.9 222 252 A K T < S+ 0 0 170 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.580 90.5 90.3 -87.7 -11.5 2.2 3.2 54.5 223 253 A L S < S- 0 0 28 -3,-1.7 5,-0.1 -4,-0.5 -3,-0.0 -0.588 88.9 -97.2 -85.7 148.1 2.3 3.0 50.7 224 254 A P >> - 0 0 66 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.269 36.1-113.3 -54.4 146.9 2.4 -0.2 48.7 225 255 A K H 3> S+ 0 0 163 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.877 116.5 56.2 -52.2 -43.6 5.9 -1.3 47.7 226 256 A A H 3> S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.856 109.7 46.5 -61.4 -32.9 5.1 -0.8 44.0 227 257 A E H <> S+ 0 0 25 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.859 107.4 55.8 -79.1 -35.5 4.1 2.8 44.7 228 258 A Q H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 108.0 50.9 -54.7 -44.3 7.2 3.4 46.8 229 259 A D H X S+ 0 0 98 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 106.0 54.1 -64.7 -39.0 9.1 2.3 43.7 230 260 A M H X S+ 0 0 47 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.913 109.3 48.7 -59.7 -42.7 7.2 4.7 41.5 231 261 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 111.2 49.0 -65.4 -45.7 8.1 7.6 43.8 232 262 A R H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 114.1 46.5 -60.2 -41.7 11.8 6.7 43.9 233 263 A A H X S+ 0 0 29 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 110.7 50.8 -68.7 -42.4 11.9 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