==== 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 31-AUG-13 4MIJ . 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 . 302 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 77.5 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 . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 3 1 2 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 87 0, 0.0 35,-2.2 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 167.5 -3.2 10.8 46.5 2 32 A E E -a 36 0A 107 33,-0.2 35,-0.2 35,-0.1 2,-0.1 -0.906 360.0-160.2-106.0 101.9 -2.1 14.5 46.2 3 33 A F E -a 37 0A 4 33,-2.8 35,-2.9 -2,-0.7 2,-0.4 -0.461 7.6-136.0 -75.8 155.5 1.2 14.8 47.9 4 34 A R E -a 38 0A 92 33,-0.2 58,-1.9 -2,-0.1 57,-0.4 -0.923 19.1-174.4-113.2 140.1 2.5 18.2 49.1 5 35 A S E -ab 39 62A 0 33,-2.4 35,-3.6 -2,-0.4 2,-0.3 -0.988 12.1-142.1-134.1 144.8 6.1 19.3 48.6 6 36 A A E +ab 40 63A 2 56,-1.3 58,-2.4 -2,-0.3 2,-0.3 -0.792 17.3 174.7-108.6 147.8 7.8 22.5 49.9 7 37 A D - 0 0 4 33,-2.2 36,-1.9 -2,-0.3 37,-0.4 -0.972 24.1-149.0-147.7 137.3 10.4 24.9 48.4 8 38 A T + 0 0 11 56,-0.5 -1,-0.1 -2,-0.3 33,-0.1 0.741 65.7 104.9 -74.8 -24.9 11.8 28.1 49.8 9 39 A H - 0 0 10 33,-0.1 33,-2.6 1,-0.1 34,-0.3 -0.315 60.6-148.7 -70.0 141.4 12.4 29.8 46.4 10 40 A N + 0 0 96 31,-0.2 2,-0.3 32,-0.2 -1,-0.1 0.824 69.3 93.1 -76.3 -32.4 10.0 32.5 45.3 11 41 A A > - 0 0 29 1,-0.2 3,-1.6 2,-0.1 6,-0.2 -0.464 65.9-148.3 -73.5 130.2 10.3 32.0 41.6 12 42 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -2,-0.3 -3,-0.0 0.718 100.9 44.5 -68.1 -21.0 7.6 29.7 40.2 13 43 A D T 3 S+ 0 0 103 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.089 78.0 139.0-107.2 18.8 10.1 28.6 37.5 14 44 A Y X> - 0 0 0 -3,-1.6 4,-2.8 1,-0.1 3,-0.9 -0.401 66.4-114.0 -61.8 144.1 13.1 28.2 39.8 15 45 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.828 114.9 49.3 -55.1 -36.6 14.9 25.0 38.7 16 46 A T H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.840 113.4 47.1 -68.9 -33.7 14.2 23.1 41.9 17 47 A V H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.943 113.2 48.0 -70.3 -50.5 10.5 24.0 41.8 18 48 A A H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.877 109.9 55.2 -55.6 -40.0 10.3 23.0 38.1 19 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.901 108.1 44.9 -66.8 -41.9 12.1 19.8 38.9 20 50 A V H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.887 111.6 53.9 -72.5 -32.5 9.7 18.6 41.5 21 51 A K H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 109.8 48.4 -60.5 -41.2 6.7 19.6 39.3 22 52 A Y H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 108.2 53.7 -64.1 -44.1 8.3 17.4 36.6 23 53 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.904 106.8 53.3 -53.0 -44.3 8.7 14.6 39.2 24 54 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.916 107.3 50.4 -59.8 -43.3 5.0 15.0 39.8 25 55 A E H X S+ 0 0 119 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.913 111.7 47.9 -61.5 -42.7 4.2 14.6 36.2 26 56 A L H X S+ 0 0 23 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.893 110.7 51.5 -63.4 -40.9 6.3 11.5 36.0 27 57 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 8,-0.4 0.899 107.2 53.0 -65.3 -39.4 4.6 10.1 39.1 28 58 A E H <>S+ 0 0 83 -4,-2.6 5,-2.8 2,-0.2 6,-0.3 0.933 113.3 44.8 -57.1 -46.7 1.2 10.7 37.6 29 59 A K H ><5S+ 0 0 175 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.950 114.1 46.7 -64.2 -50.0 2.3 8.7 34.5 30 60 A K H 3<5S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 116.1 46.0 -63.6 -30.7 3.9 5.9 36.4 31 61 A S T ><5S- 0 0 19 -4,-2.2 3,-1.3 4,-0.2 -1,-0.3 0.267 112.4-115.1 -97.5 8.8 0.9 5.6 38.8 32 62 A G T < 5S- 0 0 75 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.778 77.9 -49.0 63.5 27.9 -1.7 5.7 36.0 33 63 A G T 3 + 0 0 15 -2,-0.9 3,-1.9 -35,-0.2 -31,-0.2 -0.043 49.0 69.5 -87.7-162.8 7.2 27.3 46.8 42 72 A K T 3 S- 0 0 100 -33,-2.6 -34,-0.2 1,-0.3 -32,-0.2 0.738 121.6 -82.5 61.9 24.1 7.6 30.9 48.2 43 73 A Q T > S+ 0 0 76 -36,-1.9 3,-1.6 -34,-0.3 -1,-0.3 0.769 84.9 152.1 47.6 33.5 8.3 29.2 51.6 44 74 A A T < S+ 0 0 72 -3,-1.9 -2,-0.1 -37,-0.4 -1,-0.1 0.803 71.4 44.5 -61.5 -30.0 4.5 29.0 52.0 45 75 A L T 3 S- 0 0 47 -5,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.365 127.9 -80.9 -97.7 4.8 4.8 25.9 54.2 46 76 A G < - 0 0 13 -3,-1.6 -1,-0.4 -39,-0.1 -39,-0.1 -0.601 59.3 -46.9 127.8 174.6 7.7 27.3 56.3 47 77 A S > - 0 0 17 -2,-0.2 4,-2.8 -3,-0.1 5,-0.3 -0.256 65.6 -95.7 -66.3 168.6 11.4 27.9 56.3 48 78 A E H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.941 128.0 49.4 -53.1 -49.9 13.7 25.0 55.2 49 79 A K H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 111.9 48.5 -56.5 -45.6 14.2 24.1 58.9 50 80 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 110.8 49.5 -63.7 -41.0 10.5 24.2 59.6 51 81 A T H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.856 106.0 56.9 -70.6 -32.0 9.6 22.1 56.6 52 82 A I H X S+ 0 0 7 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.932 109.2 46.4 -60.1 -44.7 12.2 19.5 57.5 53 83 A D H X S+ 0 0 70 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.879 110.3 53.0 -65.9 -38.5 10.5 19.1 60.9 54 84 A Q H <>S+ 0 0 80 -4,-2.1 5,-1.9 2,-0.2 6,-1.4 0.870 110.4 47.6 -64.9 -36.1 7.1 18.9 59.2 55 85 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.6 4,-0.2 163,-0.3 0.921 107.2 57.9 -67.4 -42.7 8.3 16.1 57.0 56 86 A K H 3<5S+ 0 0 94 -4,-2.4 162,-0.2 1,-0.3 -2,-0.2 0.873 110.2 42.2 -55.6 -41.7 9.8 14.3 60.0 57 87 A I T 3<5S- 0 0 104 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.410 116.6-111.5 -89.7 3.9 6.5 14.1 61.8 58 88 A G T < 5S+ 0 0 16 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.543 87.5 115.1 81.5 10.4 4.6 13.2 58.6 59 89 A A S S+ 0 0 0 143,-2.4 3,-1.6 -2,-0.2 4,-0.5 0.825 104.4 79.4 -61.8 -27.4 21.9 19.7 52.4 68 98 A G G > S+ 0 0 0 1,-0.3 3,-2.0 142,-0.2 4,-0.3 0.911 94.4 42.1 -48.1 -59.2 23.1 22.5 54.7 69 99 A P G 3 S+ 0 0 22 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.581 112.6 57.4 -69.8 -6.0 20.1 22.6 57.0 70 100 A M G <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.4 7,-0.3 0.390 77.4 100.0 -92.8 -1.3 20.1 18.7 57.0 71 101 A N T <4 S+ 0 0 4 -3,-2.0 7,-0.3 -4,-0.5 -1,-0.1 0.838 87.2 36.8 -59.9 -37.4 23.7 18.6 58.3 72 102 A A T 4 S+ 0 0 89 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.888 120.7 43.3 -80.2 -40.5 22.7 17.8 61.9 73 103 A I T 4 S+ 0 0 71 1,-0.3 -2,-0.2 -4,-0.3 -1,-0.1 0.815 128.7 25.8 -83.4 -28.7 19.7 15.6 61.3 74 104 A a S >< S- 0 0 3 -4,-2.6 3,-2.4 -7,-0.2 -1,-0.3 -0.786 77.6-170.7-128.8 84.9 21.2 13.5 58.5 75 105 A P G > S+ 0 0 58 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.754 76.0 67.1 -61.4 -27.5 24.9 13.7 59.2 76 106 A L G > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 28,-0.1 0.724 84.8 75.0 -65.8 -15.6 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 0.715 82.0 71.6 -64.2 -16.2 24.8 15.1 54.2 78 108 A Q H X> S+ 0 0 25 -3,-2.4 4,-1.1 -7,-0.3 3,-0.8 0.821 83.4 70.8 -63.3 -31.6 27.8 16.9 55.6 79 109 A V H X4 S+ 0 0 1 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.2 0.957 102.5 37.5 -54.7 -58.7 30.0 14.9 53.2 80 110 A P H 34 S+ 0 0 2 0, 0.0 128,-0.4 0, 0.0 -1,-0.3 0.555 111.5 63.3 -74.7 -4.3 28.9 16.7 50.0 81 111 A T H << S+ 0 0 0 -3,-0.8 128,-0.3 -4,-0.5 -2,-0.2 0.670 78.2 118.1 -78.4 -23.8 28.8 20.0 51.9 82 112 A M S X< S- 0 0 2 -3,-1.4 3,-1.4 -4,-1.1 126,-0.4 -0.069 75.2-100.6 -58.4 143.9 32.5 19.9 52.6 83 113 A P T 3 S- 0 0 1 0, 0.0 124,-0.2 0, 0.0 -1,-0.1 -0.389 96.6 -7.4 -70.6 131.8 34.6 22.7 51.2 84 114 A F T 3 S+ 0 0 37 121,-0.3 123,-0.1 122,-0.2 -2,-0.1 0.744 88.8 134.2 58.3 30.1 36.6 22.0 48.1 85 115 A L < + 0 0 4 -3,-1.4 2,-0.3 121,-0.1 -1,-0.1 0.945 62.7 51.7 -69.8 -49.6 35.6 18.3 48.1 86 116 A F S S- 0 0 15 -4,-0.3 3,-0.1 -6,-0.1 211,-0.1 -0.652 70.4-149.0 -90.6 149.1 34.7 18.1 44.5 87 117 A S S S- 0 0 101 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.642 76.9 -9.2 -90.9 -16.0 37.0 19.3 41.7 88 118 A S S > S- 0 0 45 1,-0.1 4,-2.3 120,-0.0 -1,-0.2 -0.969 74.0 -95.0-169.0 164.5 34.2 20.4 39.3 89 119 A I H > S+ 0 0 53 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.898 124.2 56.3 -60.6 -38.7 30.5 20.2 38.7 90 120 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 107.7 48.0 -58.8 -42.3 31.1 17.1 36.6 91 121 A H H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 111.1 50.7 -64.7 -44.7 32.8 15.4 39.5 92 122 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.947 110.8 48.8 -57.1 -49.3 30.0 16.4 41.8 93 123 A R H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 112.4 47.1 -60.7 -44.6 27.4 15.0 39.5 94 124 A K H X S+ 0 0 73 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.916 114.9 47.5 -63.4 -42.3 29.2 11.7 39.0 95 125 A S H < S+ 0 0 5 -4,-2.5 6,-1.8 1,-0.2 5,-0.4 0.932 114.5 44.4 -64.4 -47.6 29.8 11.3 42.7 96 126 A L H < S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 112.9 51.5 -69.6 -30.9 26.2 12.1 43.7 97 127 A D H < S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.715 109.2 59.7 -76.0 -23.9 24.7 9.9 41.0 98 128 A G S X S- 0 0 20 -4,-1.2 4,-2.3 -3,-0.3 5,-0.2 0.023 113.6 -60.1 -93.8-159.2 26.8 6.9 42.0 99 129 A P H > S+ 0 0 113 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.768 127.1 58.4 -60.9 -29.6 27.2 4.8 45.1 100 130 A V H > S+ 0 0 13 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.975 111.2 40.6 -63.2 -54.9 28.4 7.7 47.3 101 131 A G H > S+ 0 0 0 -6,-1.8 4,-2.7 1,-0.2 5,-0.2 0.919 114.6 52.3 -59.7 -43.2 25.2 9.7 46.7 102 132 A D H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 109.3 49.4 -65.3 -36.5 22.9 6.7 46.9 103 133 A E H X S+ 0 0 66 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.923 110.6 50.5 -67.8 -41.3 24.4 5.7 50.3 104 134 A I H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.2 0.945 110.2 50.2 -60.4 -47.0 24.0 9.2 51.7 105 135 A L H >< S+ 0 0 12 -4,-2.7 10,-1.0 1,-0.2 3,-1.0 0.926 111.6 47.9 -56.2 -46.0 20.3 9.3 50.5 106 136 A K H >< S+ 0 0 130 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.803 101.4 66.4 -65.7 -28.5 19.6 5.9 52.2 107 137 A S H >< S+ 0 0 33 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.726 86.6 68.5 -68.8 -20.9 21.3 7.0 55.4 108 138 A a G X<>S+ 0 0 0 -3,-1.0 5,-1.8 -4,-0.8 3,-1.7 0.661 78.1 81.5 -75.3 -11.9 18.7 9.6 56.2 109 139 A E G X 5S+ 0 0 72 -3,-1.4 3,-1.7 1,-0.3 -1,-0.2 0.848 80.5 65.6 -61.7 -30.7 16.0 6.9 56.8 110 140 A S G < 5S+ 0 0 118 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.726 105.0 45.3 -62.8 -21.5 17.4 6.5 60.3 111 141 A A G < 5S- 0 0 24 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.332 130.6 -89.9-103.9 1.3 16.2 10.0 61.1 112 142 A G T < 5S+ 0 0 16 -3,-1.7 105,-2.4 -4,-0.3 2,-0.4 0.565 90.4 112.4 104.9 12.4 12.8 9.7 59.5 113 143 A F E < -D 216 0A 0 -5,-1.8 2,-0.8 103,-0.2 -1,-0.3 -0.957 55.7-146.8-126.5 131.5 13.6 10.8 55.9 114 144 A I E -D 215 0A 2 101,-3.2 101,-2.2 -2,-0.4 2,-0.4 -0.868 24.1-143.3 -92.8 108.8 13.5 8.9 52.6 115 145 A G E +D 214 0A 3 -10,-1.0 99,-0.2 -2,-0.8 3,-0.1 -0.640 29.1 167.6 -74.2 125.3 16.3 10.5 50.6 116 146 A L E - 0 0 12 97,-2.9 2,-0.3 -2,-0.4 98,-0.2 0.758 50.7 -9.8-113.2 -33.5 15.2 10.5 47.0 117 147 A A E -D 213 0A 3 96,-1.1 96,-2.5 -12,-0.1 2,-0.5 -0.976 46.8-131.1-164.9 150.6 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 -0.945 26.2-161.4-102.7 133.8 20.2 15.2 44.8 119 149 A Y E -D 211 0A 0 92,-1.6 92,-2.9 -2,-0.5 2,-0.1 -0.893 26.2-100.7-111.9 146.8 19.7 18.3 42.7 120 150 A D + 0 0 1 -2,-0.4 89,-0.1 119,-0.2 -104,-0.0 -0.385 35.9 170.4 -65.0 141.5 22.4 20.7 41.4 121 151 A S - 0 0 2 1,-0.4 64,-0.1 87,-0.3 -1,-0.1 -0.016 38.3-134.4-134.5 22.8 23.0 23.9 43.2 122 152 A G - 0 0 1 86,-0.1 -1,-0.4 63,-0.1 2,-0.4 -0.179 47.9 -43.8 58.8-154.0 26.2 25.0 41.5 123 153 A A - 0 0 19 61,-0.1 2,-0.4 85,-0.1 85,-0.2 -0.924 54.8-128.0-112.7 142.7 29.1 26.3 43.6 124 154 A R E +E 207 0B 4 83,-2.8 82,-1.3 -2,-0.4 83,-0.7 -0.744 30.4 175.9 -94.3 136.2 28.6 28.8 46.5 125 155 A S E - F 0 184B 2 59,-2.0 59,-2.2 -2,-0.4 2,-0.2 -0.938 33.3 -95.2-137.0 154.8 30.8 31.9 46.6 126 156 A I E -EF 202 183B 1 76,-0.8 76,-2.6 -2,-0.3 2,-0.4 -0.489 31.9-168.8 -71.2 135.6 31.0 35.0 48.8 127 157 A Y E +EF 201 182B 0 55,-2.7 55,-2.0 74,-0.2 2,-0.2 -0.990 24.2 136.7-124.3 141.9 29.1 38.2 47.9 128 158 A A E -EF 200 181B 1 72,-2.5 72,-2.3 -2,-0.4 53,-0.2 -0.848 65.8 -85.1-162.4-175.0 29.8 41.4 49.7 129 159 A K S S+ 0 0 120 51,-0.6 72,-0.1 -2,-0.2 52,-0.1 0.375 111.1 36.3 -94.6 3.5 30.4 45.1 49.4 130 160 A K S S- 0 0 105 70,-0.2 2,-0.1 7,-0.0 72,-0.1 -0.961 97.1 -88.7-148.0 156.4 34.1 44.6 48.7 131 161 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.471 26.1-157.5 -68.8 141.8 36.2 42.0 46.9 132 162 A I + 0 0 0 -6,-0.2 -6,-0.1 -2,-0.1 3,-0.1 -0.826 29.6 154.9-118.6 85.1 37.4 38.9 48.9 133 163 A R + 0 0 118 -2,-0.5 135,-2.4 134,-0.1 2,-0.3 0.708 64.7 19.7 -91.4 -22.5 40.4 37.8 46.8 134 164 A T S >> S- 0 0 48 133,-0.1 3,-1.1 -3,-0.1 4,-0.7 -0.931 85.5-103.2-140.3 165.4 42.3 36.0 49.6 135 165 A V H >> S+ 0 0 30 -2,-0.3 3,-0.9 1,-0.3 4,-0.6 0.834 118.5 65.0 -62.6 -30.4 41.4 34.6 52.9 136 166 A A H >4 S+ 0 0 75 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.869 96.7 56.6 -57.8 -35.5 43.0 37.6 54.5 137 167 A D H <4 S+ 0 0 66 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.771 102.6 56.7 -67.0 -23.8 40.3 39.8 52.9 138 168 A A H X< S+ 0 0 0 -3,-0.9 3,-2.5 -4,-0.7 -1,-0.2 0.587 75.4 123.7 -81.6 -14.6 37.7 37.6 54.7 139 169 A K T << S- 0 0 170 -3,-1.0 21,-0.3 -4,-0.6 20,-0.1 -0.293 88.1 -2.3 -56.8 124.1 39.1 38.2 58.2 140 170 A G T 3 S+ 0 0 54 19,-2.9 -1,-0.3 1,-0.2 2,-0.2 0.467 89.7 153.5 77.4 0.4 36.3 39.7 60.3 141 171 A L < - 0 0 7 -3,-2.5 20,-2.8 1,-0.1 2,-1.3 -0.472 46.3-131.9 -66.9 130.9 33.7 39.7 57.5 142 172 A K E +g 161 0B 82 -2,-0.2 38,-2.4 18,-0.2 39,-1.3 -0.680 41.5 171.8 -88.4 97.5 30.2 39.5 58.9 143 173 A I E -gh 162 181B 0 18,-1.5 20,-2.5 -2,-1.3 39,-0.3 -0.913 30.3-130.9-119.3 126.9 28.8 36.8 56.7 144 174 A R E +g 163 0B 5 37,-2.5 2,-0.3 -2,-0.5 39,-0.3 -0.508 28.2 178.9 -70.4 139.3 25.6 34.9 56.8 145 175 A V E -g 164 0B 0 18,-1.8 20,-2.3 -2,-0.2 7,-0.0 -0.880 34.0 -88.9-127.1 165.8 25.6 31.2 56.6 146 176 A Q - 0 0 11 -2,-0.3 2,-1.9 18,-0.2 6,-0.1 -0.173 56.7 -82.8 -60.3 168.0 22.9 28.5 56.7 147 177 A Q S S+ 0 0 75 18,-0.2 2,-0.3 17,-0.1 -76,-0.1 -0.544 90.0 113.2 -80.5 78.7 21.8 27.0 60.0 148 178 A S > - 0 0 11 -2,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.961 63.4-143.5-153.9 131.3 24.6 24.4 60.2 149 179 A D H > S+ 0 0 128 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.886 106.7 55.7 -63.3 -38.4 27.5 24.0 62.6 150 180 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.935 107.5 49.8 -58.1 -46.3 29.7 22.7 59.7 151 181 A W H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.900 107.3 52.7 -61.8 -41.7 28.9 26.0 57.8 152 182 A V H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 10,-0.2 0.936 114.3 44.1 -56.9 -43.6 29.8 28.1 60.8 153 183 A A H X S+ 0 0 24 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.884 109.6 56.5 -67.1 -41.6 33.1 26.2 61.0 154 184 A L H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.942 115.6 35.1 -56.5 -50.6 33.7 26.4 57.2 155 185 A V H ><>S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.2 3,-1.1 0.846 112.2 60.7 -79.5 -30.8 33.5 30.2 57.0 156 186 A S H ><5S+ 0 0 55 -4,-2.1 3,-2.1 -5,-0.3 -1,-0.2 0.822 94.6 65.0 -61.3 -32.0 35.1 30.7 60.4 157 187 A A T 3<5S+ 0 0 34 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.771 96.0 57.6 -63.5 -24.8 38.2 28.9 59.0 158 188 A M T < 5S- 0 0 5 -3,-1.1 -1,-0.3 -4,-0.4 -20,-0.2 0.419 124.1-107.7 -79.3 -2.8 38.5 31.9 56.6 159 189 A G T < 5S+ 0 0 38 -3,-2.1 -19,-2.9 1,-0.3 -3,-0.2 0.447 76.4 138.7 88.7 1.1 38.7 34.2 59.6 160 190 A A < - 0 0 10 -5,-1.4 2,-1.0 -21,-0.3 -1,-0.3 -0.307 63.7-113.5 -80.9 164.6 35.2 35.5 58.9 161 191 A N E -g 142 0B 78 -20,-2.8 -18,-1.5 -23,-0.2 2,-0.2 -0.792 37.9-150.2 -99.1 87.7 32.4 36.1 61.5 162 192 A A E -g 143 0B 14 -2,-1.0 -18,-0.2 -10,-0.2 -10,-0.1 -0.434 13.1-169.6 -68.7 134.3 29.9 33.5 60.5 163 193 A T E -g 144 0B 35 -20,-2.5 -18,-1.8 -2,-0.2 2,-0.3 -0.893 12.3-146.1-131.7 97.6 26.3 34.4 61.2 164 194 A P E +g 145 0B 72 0, 0.0 -18,-0.2 0, 0.0 -17,-0.1 -0.504 33.7 152.8 -72.3 128.2 23.7 31.6 60.9 165 195 A M - 0 0 16 -20,-2.3 -18,-0.2 -2,-0.3 2,-0.1 -0.984 47.9 -97.7-147.3 151.4 20.4 32.8 59.6 166 196 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.443 41.1-113.1 -66.9 150.4 17.4 31.4 57.7 167 197 A Y G > S+ 0 0 36 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.821 111.6 61.9 -56.0 -39.8 17.5 32.2 53.9 168 198 A G G 3 S+ 0 0 48 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.660 100.7 54.3 -65.3 -17.0 14.4 34.5 54.0 169 199 A E G <> S+ 0 0 110 -3,-1.8 4,-1.9 1,-0.1 -1,-0.3 0.529 86.9 82.9 -91.8 -7.2 16.1 36.9 56.4 170 200 A V H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.4 5,-0.3 0.904 83.7 55.0 -70.9 -43.8 19.2 37.5 54.2 171 201 A Y H > S+ 0 0 59 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.950 113.4 40.4 -55.8 -54.0 17.9 40.1 51.8 172 202 A T H > S+ 0 0 80 -4,-0.3 4,-2.3 1,-0.2 6,-0.3 0.892 112.7 57.5 -64.2 -36.8 16.8 42.5 54.6 173 203 A G H X>S+ 0 0 2 -4,-1.9 6,-1.6 1,-0.2 5,-1.2 0.907 110.0 43.3 -58.9 -44.5 19.9 41.8 56.6 174 204 A L H <5S+ 0 0 5 -4,-2.6 3,-0.4 2,-0.2 -1,-0.2 0.893 112.2 53.3 -67.6 -41.2 22.1 42.9 53.7 175 205 A K H <5S+ 0 0 126 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.912 115.8 38.6 -60.6 -41.7 20.1 45.9 52.9 176 206 A T H <5S- 0 0 100 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.509 110.5-115.4 -90.7 -6.2 20.2 47.2 56.5 177 207 A G T <5S+ 0 0 34 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.581 76.6 130.4 79.5 11.2 23.8 46.3 57.2 178 208 A L S - 0 0 0 -2,-0.3 4,-2.2 -61,-0.2 5,-0.1 -0.258 54.7-103.9 -72.4 169.3 25.3 30.4 43.8 186 216 A I H > S+ 0 0 20 -63,-0.2 4,-2.7 1,-0.2 5,-0.2 0.904 117.4 57.1 -71.1 -40.7 24.5 33.1 41.3 187 217 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.869 111.3 44.5 -58.8 -32.7 20.8 32.1 40.8 188 218 A S H > S+ 0 0 4 2,-0.2 4,-2.5 3,-0.2 6,-0.5 0.934 111.1 52.4 -73.2 -46.9 20.2 32.6 44.5 189 219 A F H <>S+ 0 0 0 -4,-2.2 6,-2.0 1,-0.2 5,-0.6 0.886 119.8 38.2 -50.0 -43.7 22.2 35.9 44.6 190 220 A D H ><5S+ 0 0 25 -4,-2.7 3,-1.8 4,-0.2 -2,-0.2 0.978 119.0 41.4 -71.1 -64.0 20.0 37.0 41.7 191 221 A T H 3<5S+ 0 0 35 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.770 113.5 51.5 -69.9 -27.5 16.5 35.7 42.5 192 222 A A T 3<5S- 0 0 20 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.430 111.4-123.2 -84.0 -0.7 16.6 36.4 46.3 193 223 A K T X>5 + 0 0 100 -3,-1.8 3,-1.6 -5,-0.2 4,-0.5 0.608 69.6 136.7 72.3 17.4 17.6 40.0 45.3 194 224 A H H >>< + 0 0 1 -5,-0.6 4,-2.0 -6,-0.5 3,-1.6 0.853 64.2 67.8 -62.0 -32.5 20.8 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 0.729 88.6 66.2 -57.8 -25.4 22.5 41.6 44.4 196 226 A E H <4 S+ 0 0 106 -3,-1.6 -1,-0.3 -7,-0.3 -2,-0.2 0.824 110.4 34.6 -64.8 -30.0 20.4 44.7 45.1 197 227 A A H << S+ 0 0 28 -3,-1.6 2,-0.4 -4,-0.5 -2,-0.2 0.795 128.0 25.6 -94.9 -37.9 22.2 45.1 48.4 198 228 A V < - 0 0 2 -4,-2.0 -1,-0.3 1,-0.1 -69,-0.2 -0.999 56.1-173.1-136.2 137.5 25.7 44.0 47.6 199 229 A K + 0 0 75 -2,-0.4 64,-2.9 -71,-0.1 2,-0.7 0.564 54.8 92.1-107.9 -12.3 27.4 43.9 44.2 200 230 A V E -Ei 128 263B 9 -72,-2.3 -72,-2.5 62,-0.2 2,-0.7 -0.793 48.0-173.5-100.9 114.4 30.8 42.2 44.6 201 231 A Y E -Ei 127 264B 7 62,-2.7 64,-2.9 -2,-0.7 2,-0.6 -0.901 6.8-164.1-108.6 104.0 30.6 38.4 43.9 202 232 A S E -Ei 126 265B 0 -76,-2.6 2,-2.7 -2,-0.7 -76,-0.8 -0.848 19.8-132.6 -97.2 117.6 34.0 36.8 44.7 203 233 A K E + 0 0 50 62,-2.9 64,-0.4 -2,-0.6 66,-0.1 -0.286 52.2 143.5 -78.7 65.0 34.3 33.4 43.1 204 234 A T E - 0 0 0 -2,-2.7 -1,-0.2 -78,-0.2 -79,-0.2 0.786 36.4-163.1 -68.2 -32.1 35.6 31.5 46.1 205 235 A E E + 0 0 54 -3,-0.3 -121,-0.3 1,-0.1 -80,-0.2 0.874 24.3 163.7 48.5 48.9 33.5 28.4 45.1 206 236 A H E + 0 0 0 -82,-1.3 2,-0.3 -123,-0.1 -122,-0.2 0.451 55.7 17.7 -87.0 -3.8 34.0 27.1 48.6 207 237 A S E -E 124 0B 3 -83,-0.7 -83,-2.8 -124,-0.2 -126,-0.1 -0.961 44.0-163.1-157.3 152.8 31.2 24.5 48.5 208 238 A M + 0 0 25 -128,-0.4 -87,-0.3 -126,-0.4 -86,-0.1 -0.002 31.8 170.3-119.3 25.7 29.1 22.6 46.0 209 239 A A - 0 0 0 -128,-0.3 -128,-0.2 1,-0.1 -141,-0.1 -0.084 24.0-146.0 -36.5 114.6 26.6 21.6 48.7 210 240 A P - 0 0 0 0, 0.0 -143,-2.4 0, 0.0 2,-0.2 -0.269 12.9-100.3 -85.7 171.6 23.7 20.1 46.6 211 241 A E E -CD 66 119A 4 -92,-2.9 -92,-1.6 -145,-0.3 2,-0.4 -0.622 32.8-152.9 -81.0 154.0 20.0 20.1 47.2 212 242 A I E -CD 65 118A 0 -147,-2.9 -147,-2.3 -2,-0.2 2,-0.6 -0.994 5.0-150.9-128.9 134.5 18.3 17.0 48.6 213 243 A L E -CD 64 117A 0 -96,-2.5 -97,-2.9 -2,-0.4 -96,-1.1 -0.940 23.6-177.4-100.1 122.6 14.7 15.9 48.1 214 244 A V E -CD 63 115A 0 -151,-2.3 -151,-2.1 -2,-0.6 2,-0.3 -0.929 15.6-154.3-121.6 148.7 13.3 14.0 51.0 215 245 A M E -CD 62 114A 0 -101,-2.2 -101,-3.2 -2,-0.3 2,-0.3 -0.878 35.6 -97.8-111.2 150.3 10.0 12.2 51.7 216 246 A S E > - D 0 113A 0 -155,-2.6 4,-2.8 -2,-0.3 -103,-0.2 -0.508 23.6-147.4 -64.5 124.7 8.5 11.6 55.1 217 247 A K H > S+ 0 0 62 -105,-2.4 4,-2.7 -2,-0.3 5,-0.2 0.877 98.2 59.6 -57.9 -39.1 9.3 8.0 56.2 218 248 A I H > S+ 0 0 77 -106,-0.4 4,-0.5 -163,-0.3 -1,-0.2 0.929 112.6 37.7 -56.2 -45.6 6.0 7.9 58.0 219 249 A I H >> S+ 0 0 37 -164,-0.2 3,-1.1 1,-0.2 4,-0.5 0.937 116.2 51.6 -71.9 -47.9 4.1 8.6 54.8 220 250 A Y H >< S+ 0 0 16 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.888 103.2 59.1 -57.2 -42.1 6.3 6.5 52.5 221 251 A D H 3< S+ 0 0 78 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 100.3 56.4 -68.0 -20.5 6.1 3.4 54.8 222 252 A K H << S+ 0 0 172 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.581 90.6 90.8 -85.8 -10.2 2.3 3.2 54.4 223 253 A L S << S- 0 0 27 -3,-1.6 5,-0.1 -4,-0.5 -3,-0.0 -0.582 88.9 -98.0 -85.2 148.2 2.4 3.1 50.6 224 254 A P >> - 0 0 69 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.273 35.6-112.1 -57.0 149.4 2.5 -0.2 48.7 225 255 A K H 3> S+ 0 0 165 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.857 116.8 56.6 -53.3 -42.0 6.0 -1.3 47.6 226 256 A A H 3> S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.848 109.7 45.4 -60.9 -34.3 5.1 -0.8 43.9 227 257 A E H <> S+ 0 0 24 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.857 107.7 56.4 -80.7 -35.8 4.1 2.9 44.6 228 258 A Q H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 108.0 50.8 -52.7 -44.7 7.2 3.5 46.7 229 259 A D H X S+ 0 0 99 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.882 106.2 53.6 -64.6 -39.6 9.1 2.4 43.6 230 260 A M H X S+ 0 0 48 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.907 109.5 48.8 -60.2 -43.3 7.2 4.8 41.4 231 261 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.933 111.3 49.0 -63.5 -46.2 8.1 7.7 43.7 232 262 A R H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 113.7 46.8 -61.1 -41.1 11.8 6.7 43.8 233 263 A A H X S+ 0 0 28 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.925 110.9 50.8 -67.7 -45.0 11.9 6.4 40.0 234 264 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.912 112.5 47.5 -60.0 -42.2 10.1 9.7 39.4 235 265 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 3,-0.5 0.953 113.6 46.4 -63.2 -49.5 12.6 11.5 41.7 236 266 A K H >< S+ 0 0 153 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.913 112.1 50.5 -59.8 -43.1 15.6 9.9 40.2 237 267 A E H 3X S+ 0 0 93 -4,-2.8 4,-0.6 1,-0.3 3,-0.3 0.727 101.3 64.1 -71.8 -19.3 14.4 10.6 36.6 238 268 A S H 3X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.5 -1,-0.3 0.677 84.0 77.3 -76.6 -15.2 13.8 14.3 37.5 239 269 A V H S+ 0 0 66 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.890 111.7 49.6 -61.6 -38.9 18.4 15.2 34.5 241 271 A F H X S+ 0 0 57 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.945 109.8 50.5 -62.6 -47.6 15.6 17.7 34.0 242 272 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.882 108.6 52.8 -57.9 -40.2 16.7 19.8 37.0 243 273 A R H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.890 108.3 48.7 -68.2 -38.2 20.2 19.9 35.7 244 274 A Q H X S+ 0 0 123 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.939 115.3 45.3 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109.9 52.5 -59.8 -45.0 37.8 9.1 50.1 295 325 A A H < S+ 0 0 35 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.910 109.9 49.8 -60.5 -40.8 35.4 7.5 47.6 296 326 A V H >< S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.959 114.3 42.9 -60.3 -50.8 34.6 10.9 46.2 297 327 A Q H 3< S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.619 108.9 58.8 -80.6 -7.1 38.2 11.9 45.8 298 328 A D T 3< S+ 0 0 93 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.442 81.9 118.2 -86.1 -5.7 39.1 8.5 44.4 299 329 A T < - 0 0 44 -3,-1.6 2,-0.3 -4,-0.3 -204,-0.1 -0.441 62.7-131.5 -71.5 135.3 36.6 9.0 41.6 300 330 A K - 0 0 171 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.628 16.9-118.1 -88.7 141.2 38.0 9.1 38.1 301 331 A A 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 -210,-0.0 -0.396 360.0 360.0 -70.9 155.2 37.2 11.8 35.5 302 332 A E 0 0 197 -2,-0.1 -1,-0.1 0, 0.0 -211,-0.0 0.901 360.0 360.0 -88.4 360.0 35.4 10.8 32.3