==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 25-APR-12 4EUO . COMPND 2 MOLECULE: ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYA . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR S.MORERA,S.PLANAMENTE . 313 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.2 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 . 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 . 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 . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 1 1 1 4 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 24 A D 0 0 109 0, 0.0 2,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 151.2 18.7 1.5 -5.5 2 25 A L E -a 31 0A 0 28,-2.5 30,-3.1 236,-0.1 2,-0.5 -0.811 360.0-144.2 -99.1 139.9 18.2 -0.1 -2.1 3 26 A V E -a 32 0A 26 -2,-0.4 51,-2.0 28,-0.2 52,-1.9 -0.920 10.9-165.2-109.9 125.6 16.9 -3.7 -2.0 4 27 A F E -ab 33 55A 1 28,-2.9 30,-2.5 -2,-0.5 2,-0.4 -0.939 4.4-161.5-109.0 123.4 14.5 -4.8 0.8 5 28 A S E +ab 34 56A 0 50,-2.7 52,-2.8 -2,-0.5 30,-0.2 -0.918 23.6 145.8-107.0 134.1 13.8 -8.5 1.3 6 29 A S - 0 0 0 28,-1.6 31,-1.8 -2,-0.4 52,-0.0 -0.661 60.1 -68.8-147.2-160.0 10.8 -9.8 3.3 7 30 A W - 0 0 29 29,-0.3 174,-0.4 1,-0.2 175,-0.3 0.266 68.0-130.9 -93.5 10.4 8.3 -12.6 3.4 8 31 A G >> + 0 0 20 26,-0.3 4,-1.7 1,-0.2 3,-0.7 0.033 62.4 49.6 74.6 179.2 6.4 -11.8 0.2 9 32 A G H 3> S- 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 -0.060 115.1 -9.2 56.7-143.4 2.7 -11.5 -0.4 10 33 A T H 3> S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.822 134.6 51.6 -61.3 -36.9 0.3 -9.4 1.6 11 34 A T H <> S+ 0 0 6 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.952 113.1 42.9 -68.1 -47.4 2.8 -8.6 4.4 12 35 A Q H X S+ 0 0 13 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.908 111.8 54.8 -68.3 -34.6 5.6 -7.4 2.1 13 36 A D H X S+ 0 0 104 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 110.1 47.7 -61.5 -39.2 3.1 -5.4 0.0 14 37 A A H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.877 110.6 50.1 -69.3 -39.4 2.0 -3.7 3.2 15 38 A Q H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.5 0.895 110.1 52.6 -63.8 -37.5 5.6 -3.0 4.3 16 39 A K H X>S+ 0 0 112 -4,-2.7 4,-2.0 1,-0.2 5,-0.6 0.956 111.6 45.1 -61.5 -47.7 6.2 -1.5 0.8 17 40 A A H <5S+ 0 0 77 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.884 118.0 43.8 -63.4 -41.7 3.2 0.8 1.2 18 41 A A H <5S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.766 130.8 15.6 -74.4 -30.1 4.2 1.8 4.7 19 42 A W H X5S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.2 -3,-0.2 0.710 104.4 73.0-117.2 -37.0 7.9 2.4 4.2 20 43 A A H X5S+ 0 0 6 -4,-2.0 4,-2.0 -5,-0.5 -3,-0.1 0.938 103.0 38.5 -61.0 -47.8 9.1 2.6 0.6 21 44 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 110.7 45.0 -57.1 -42.6 8.6 7.6 3.0 23 46 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 6,-0.5 0.906 112.7 50.8 -66.5 -41.7 12.3 6.5 2.4 24 47 A M H X S+ 0 0 50 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.860 112.6 46.2 -64.0 -42.1 12.3 7.7 -1.3 25 48 A V H < S+ 0 0 131 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.923 116.2 44.8 -67.3 -47.3 11.0 11.2 -0.2 26 49 A E H < S+ 0 0 115 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.829 133.3 14.0 -66.8 -39.6 13.4 11.5 2.7 27 50 A T H < S- 0 0 40 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.552 89.7-121.9-115.9 -17.7 16.6 10.3 0.9 28 51 A G S < S+ 0 0 68 -4,-2.0 2,-0.5 -5,-0.4 -4,-0.2 0.567 70.4 132.9 77.3 11.0 15.9 10.3 -2.9 29 52 A I - 0 0 48 -6,-0.5 2,-0.3 209,-0.1 -1,-0.3 -0.845 54.3-133.8 -99.3 127.6 16.8 6.5 -2.9 30 53 A N - 0 0 70 -2,-0.5 -28,-2.5 -3,-0.1 2,-0.5 -0.605 16.0-140.4 -79.6 135.5 14.4 4.1 -4.7 31 54 A V E -a 2 0A 9 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.881 14.4-164.2-100.7 129.3 13.5 0.9 -2.8 32 55 A L E -a 3 0A 72 -30,-3.1 -28,-2.9 -2,-0.5 2,-0.4 -0.848 15.4-128.9-109.9 147.4 13.2 -2.3 -4.7 33 56 A Q E +a 4 0A 61 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.793 34.2 157.1 -98.6 138.8 11.5 -5.5 -3.3 34 57 A D E +a 5 0A 72 -30,-2.5 -28,-1.6 -2,-0.4 -26,-0.3 -0.876 23.5 27.9-145.3 178.6 13.0 -8.9 -3.2 35 58 A G - 0 0 27 1,-0.3 -28,-0.1 -2,-0.3 2,-0.1 -0.893 49.7-123.7 132.8-161.8 12.7 -12.2 -1.4 36 59 A P - 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -29,-0.3 0.457 63.8-106.3 -70.9 155.1 11.2 -14.2 0.1 37 60 A T + 0 0 10 -31,-1.8 2,-0.4 -3,-0.2 -2,-0.0 -0.225 48.0 173.8 -49.5 131.4 13.6 -14.1 3.1 38 61 A D > - 0 0 68 1,-0.1 4,-2.1 -3,-0.0 5,-0.1 -0.958 27.8-153.5-148.2 118.6 15.7 -17.2 2.9 39 62 A Y H > S+ 0 0 43 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.821 97.0 54.5 -69.8 -29.2 18.6 -17.8 5.3 40 63 A G H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 110.8 45.7 -67.0 -43.5 20.4 -20.1 2.9 41 64 A K H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.863 111.8 53.0 -66.7 -35.5 20.3 -17.4 0.2 42 65 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.965 112.2 44.2 -62.9 -52.0 21.4 -14.7 2.7 43 66 A K H X S+ 0 0 98 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 112.1 53.8 -59.8 -42.7 24.4 -16.8 3.7 44 67 A A H X S+ 0 0 55 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.902 109.7 46.7 -60.9 -41.0 25.2 -17.6 0.1 45 68 A M H <>S+ 0 0 22 -4,-2.3 5,-2.9 2,-0.2 4,-0.2 0.881 112.6 49.7 -71.3 -32.8 25.3 -14.0 -1.0 46 69 A V H ><5S+ 0 0 24 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.959 112.5 47.6 -66.4 -46.3 27.4 -13.0 2.0 47 70 A E H 3<5S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.789 112.3 49.1 -66.8 -28.9 29.9 -15.8 1.2 48 71 A A T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.406 108.4-124.3 -86.1 -1.2 30.0 -14.9 -2.5 49 72 A N T < 5S+ 0 0 131 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.891 81.6 118.6 51.9 42.1 30.6 -11.2 -1.6 50 73 A G < + 0 0 36 -5,-2.9 2,-0.2 -6,-0.2 -4,-0.2 -0.298 39.3 173.0-130.3 46.4 27.5 -10.7 -3.8 51 74 A V + 0 0 13 181,-0.3 183,-0.4 -6,-0.2 3,-0.1 -0.416 10.4 163.4 -64.8 124.2 25.1 -9.1 -1.4 52 75 A T + 0 0 79 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.379 57.9 75.1-118.9 -4.9 22.0 -8.0 -3.2 53 76 A W - 0 0 8 1,-0.1 -49,-0.2 -11,-0.1 3,-0.1 -0.970 54.7-179.6-107.6 117.2 19.6 -7.7 -0.2 54 77 A D S S+ 0 0 2 -51,-2.0 2,-0.4 -2,-0.6 -50,-0.2 0.845 74.0 21.0 -87.0 -37.1 20.5 -4.5 1.7 55 78 A V E S-b 4 0A 0 -52,-1.9 -50,-2.7 174,-0.2 2,-0.4 -1.000 74.2-168.8-131.6 131.2 17.8 -4.7 4.4 56 79 A V E -bC 5 228A 0 172,-2.7 172,-2.0 -2,-0.4 2,-0.7 -0.981 19.5-140.5-123.9 135.3 16.2 -8.1 5.3 57 80 A D E + C 0 227A 0 -52,-2.8 2,-0.3 -2,-0.4 170,-0.2 -0.826 40.2 166.8 -89.3 118.8 13.2 -8.7 7.5 58 81 A V E - C 0 226A 0 168,-2.7 168,-2.9 -2,-0.7 2,-0.2 -0.817 42.4 -84.1-126.9 169.9 14.1 -11.9 9.4 59 82 A E E > - C 0 225A 2 -2,-0.3 4,-2.5 166,-0.2 3,-0.4 -0.521 40.9-122.6 -73.2 144.8 12.9 -13.9 12.4 60 83 A G H > S+ 0 0 5 164,-2.2 4,-2.0 1,-0.2 -1,-0.1 0.785 109.1 55.2 -62.9 -30.9 14.2 -12.5 15.7 61 84 A D H > S+ 0 0 2 163,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.898 110.2 46.7 -69.9 -37.3 15.8 -15.8 16.8 62 85 A Y H >> S+ 0 0 7 -3,-0.4 4,-1.7 1,-0.2 3,-1.6 0.959 111.7 52.1 -63.4 -47.8 17.8 -15.9 13.6 63 86 A A H 3X S+ 0 0 1 -4,-2.5 4,-0.8 1,-0.3 -2,-0.2 0.858 104.2 57.4 -56.2 -40.9 18.8 -12.2 14.0 64 87 A A H 3< S+ 0 0 31 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.607 118.0 30.4 -71.7 -14.3 20.0 -12.7 17.5 65 88 A Q H S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 6,-0.4 0.802 84.3 65.4 -76.1 -26.0 23.5 -14.3 12.9 67 90 A G T ><5S+ 0 0 3 -4,-0.8 3,-2.6 1,-0.2 5,-0.3 0.972 100.4 46.9 -60.9 -53.9 25.9 -11.5 13.9 68 91 A P T 345S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.711 105.3 63.3 -60.3 -20.8 28.6 -13.6 15.7 69 92 A K T 3<5S- 0 0 103 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.478 118.0-112.8 -80.1 -6.1 28.5 -16.0 12.6 70 93 A G T < 5S+ 0 0 35 -3,-2.6 -3,-0.2 -4,-0.2 -4,-0.1 0.679 85.4 118.1 82.8 20.1 29.7 -13.1 10.4 71 94 A L < + 0 0 20 -5,-2.0 160,-2.5 -4,-0.1 2,-0.3 0.679 64.8 51.2 -89.2 -19.7 26.5 -12.8 8.4 72 95 A L B S-J 230 0B 2 -6,-0.4 2,-0.2 -5,-0.3 -2,-0.1 -0.911 74.2-119.2-125.6 151.3 25.5 -9.3 9.4 73 96 A E - 0 0 20 156,-3.1 156,-0.4 -2,-0.3 2,-0.2 -0.572 41.9-109.1 -78.5 145.1 26.8 -5.7 9.5 74 97 A K - 0 0 107 -2,-0.2 19,-0.3 1,-0.1 2,-0.1 -0.516 44.1-110.3 -68.6 138.9 26.8 -4.2 13.0 75 98 A L - 0 0 12 17,-2.8 2,-1.1 -2,-0.2 -1,-0.1 -0.485 20.8-120.0 -74.3 149.7 24.0 -1.6 13.0 76 99 A D >> - 0 0 58 1,-0.2 4,-2.7 -2,-0.1 3,-1.4 -0.751 28.3-177.3 -91.5 97.8 25.0 2.1 13.1 77 100 A F T 34 S+ 0 0 55 -2,-1.1 5,-0.3 1,-0.3 -1,-0.2 0.424 78.1 70.5 -78.9 6.2 23.3 3.4 16.3 78 101 A S T 34 S+ 0 0 106 3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.644 114.5 29.3 -87.4 -16.2 24.5 6.9 15.6 79 102 A V T <4 S+ 0 0 60 -3,-1.4 2,-0.6 1,-0.2 -2,-0.2 0.778 116.5 60.8-104.8 -49.8 21.9 6.8 12.8 80 103 A I S < S- 0 0 1 -4,-2.7 2,-0.9 2,-0.0 -1,-0.2 -0.786 80.3-145.7 -83.6 121.2 19.3 4.4 14.2 81 104 A D > - 0 0 91 -2,-0.6 3,-0.8 1,-0.1 4,-0.2 -0.775 14.0-171.6 -91.5 105.6 17.9 5.9 17.4 82 105 A K G > + 0 0 103 -2,-0.9 3,-1.1 -5,-0.3 -1,-0.1 0.536 63.3 95.5 -75.1 -6.9 17.2 3.1 19.8 83 106 A T G 3 S+ 0 0 99 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.732 94.5 30.9 -59.1 -25.2 15.5 5.4 22.3 84 107 A K G < S+ 0 0 80 -3,-0.8 182,-2.8 2,-0.1 183,-0.3 0.368 98.4 108.2-112.7 6.6 12.0 4.7 21.0 85 108 A L B < S-K 265 0C 10 -3,-1.1 180,-0.2 180,-0.2 5,-0.1 -0.599 85.1 -94.2 -91.6 145.4 12.5 1.1 19.8 86 109 A D > - 0 0 18 178,-2.5 3,-1.5 -2,-0.3 10,-0.4 -0.272 36.5-148.0 -53.9 114.7 11.1 -2.0 21.5 87 110 A P G > S+ 0 0 104 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.682 87.6 71.4 -68.3 -12.6 14.0 -2.9 23.8 88 111 A R G 3 S+ 0 0 143 1,-0.2 -2,-0.1 3,-0.0 7,-0.0 0.686 104.3 39.9 -71.9 -20.3 13.3 -6.6 23.7 89 112 A F G < S+ 0 0 26 -3,-1.5 2,-0.5 175,-0.1 -1,-0.2 0.154 85.8 108.5-119.0 17.2 14.5 -6.8 20.1 90 113 A V < + 0 0 34 -3,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.850 35.1 154.9 -99.4 125.6 17.6 -4.5 19.9 91 114 A T B > -L 94 0D 44 3,-2.8 3,-0.8 -2,-0.5 -16,-0.1 -0.839 61.4 -91.5-130.8 178.9 21.0 -6.2 19.5 92 115 A D T 3 S+ 0 0 94 -2,-0.3 -17,-2.8 1,-0.2 -15,-0.1 0.724 129.2 33.4 -64.5 -19.5 24.3 -4.9 18.0 93 116 A Y T 3 S+ 0 0 45 -19,-0.3 136,-0.4 1,-0.1 2,-0.3 0.310 121.7 30.0-116.4 1.7 23.1 -6.4 14.6 94 117 A S B < -L 91 0D 2 -3,-0.8 -3,-2.8 134,-0.1 2,-0.3 -0.998 45.8-163.0-160.2 157.9 19.3 -6.0 14.7 95 118 A V E -D 227 0A 0 132,-1.3 132,-2.9 -2,-0.3 -5,-0.2 -0.946 46.1 -82.1-136.4 162.1 16.2 -4.1 15.7 96 119 A G E -D 226 0A 4 -10,-0.4 130,-0.3 -2,-0.3 168,-0.1 -0.307 30.8-174.7 -67.2 146.6 12.6 -5.1 15.7 97 120 A S E - 0 0 0 128,-3.0 167,-0.3 1,-0.5 2,-0.3 0.739 68.1 -28.6-102.7 -48.0 10.5 -5.0 12.5 98 121 A F E -D 225 0A 7 127,-1.0 127,-2.4 165,-0.1 -1,-0.5 -0.949 55.1-119.7-167.4 161.1 7.1 -6.0 13.9 99 122 A Y E +DE 224 262A 12 163,-2.5 163,-2.7 -2,-0.3 2,-0.3 -0.894 40.3 164.8-112.5 134.4 5.6 -8.0 16.7 100 123 A Y E -D 223 0A 6 123,-2.8 123,-2.3 -2,-0.4 2,-0.3 -0.888 24.9-134.1-142.7 174.9 3.3 -10.9 15.9 101 124 A S E -D 222 0A 0 -2,-0.3 99,-2.5 121,-0.2 2,-0.5 -0.968 17.7-128.5-131.8 150.4 1.5 -14.0 17.1 102 125 A F E +DF 221 199A 2 119,-2.7 119,-2.1 -2,-0.3 2,-0.3 -0.864 44.5 175.2 -85.4 127.5 0.9 -17.6 15.9 103 126 A V E - F 0 198A 0 95,-2.4 95,-2.5 -2,-0.5 2,-1.0 -0.817 40.2 -98.3-128.3 169.4 -2.8 -18.0 16.2 104 127 A I E -DF 216 197A 1 112,-2.2 112,-2.5 -2,-0.3 2,-0.2 -0.797 43.7-167.0 -96.5 99.6 -5.3 -20.7 15.3 105 128 A G E -DF 215 196A 0 91,-2.1 91,-1.6 -2,-1.0 2,-0.3 -0.598 5.7-170.3 -84.8 149.9 -6.8 -19.6 12.0 106 129 A a E -DF 214 195A 1 108,-2.3 108,-2.5 -2,-0.2 2,-1.6 -0.967 34.6-141.0-149.7 133.4 -9.9 -21.3 10.7 107 130 A N > - 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0 0 20 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.1 -0.520 49.5-123.0 -66.5 133.0 2.7 -27.7 29.7 152 175 A T > - 0 0 78 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.477 19.9-110.8 -79.3 153.9 1.8 -24.3 31.3 153 176 A A G > S+ 0 0 43 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.888 115.9 50.8 -49.6 -47.4 3.0 -21.2 29.6 154 177 A D G 3 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.543 108.2 53.7 -73.9 -3.9 5.5 -20.3 32.2 155 178 A K G < S+ 0 0 159 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.154 73.5 103.4-116.1 19.6 7.2 -23.7 32.1 156 179 A L < + 0 0 4 -3,-1.3 4,-0.3 -4,-0.2 -1,-0.1 0.851 58.4 107.7 -69.4 -36.8 7.9 -24.1 28.4 157 180 A Y + 0 0 57 -3,-0.2 2,-0.1 2,-0.1 -1,-0.0 -0.815 66.1 37.0-105.6 138.5 11.7 -23.4 28.7 158 181 A P S S- 0 0 103 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.488 105.1-120.3 -68.7 147.5 14.0 -25.2 28.4 159 182 A L - 0 0 15 -2,-0.1 2,-1.2 1,-0.1 3,-0.2 -0.345 8.4-141.0 -64.9 137.3 12.1 -27.0 25.7 160 183 A D > + 0 0 79 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.777 26.3 178.3 -93.4 89.7 11.3 -30.7 26.2 161 184 A L H > S+ 0 0 16 -2,-1.2 4,-3.0 1,-0.2 5,-0.2 0.917 74.8 54.0 -64.5 -40.5 11.8 -31.7 22.5 162 185 A D H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 110.9 46.9 -60.6 -41.3 11.1 -35.4 23.0 163 186 A R H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.6 49.5 -67.3 -42.8 7.8 -34.6 24.6 164 187 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 112.2 47.8 -61.4 -44.6 6.9 -32.1 21.8 165 188 A F H X S+ 0 0 17 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.889 109.6 52.8 -67.6 -36.5 7.8 -34.6 19.1 166 189 A K H X S+ 0 0 153 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.916 111.6 46.9 -63.0 -39.1 5.8 -37.4 20.7 167 190 A K H >< S+ 0 0 41 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.923 112.3 49.2 -67.8 -43.5 2.8 -35.0 20.8 168 191 A L H >X S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.9 0.886 102.4 63.6 -61.8 -35.5 3.4 -34.0 17.1 169 192 A D H 3< S+ 0 0 62 -4,-2.6 3,-0.4 1,-0.3 4,-0.4 0.808 90.9 66.5 -58.4 -30.9 3.6 -37.7 16.2 170 193 A T T << S+ 0 0 89 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.688 119.5 20.1 -64.9 -18.9 -0.0 -38.2 17.3 171 194 A I T X4 S+ 0 0 3 -3,-1.9 3,-2.3 -4,-0.3 4,-0.2 0.326 88.5 116.8-128.8 5.9 -1.2 -35.9 14.4 172 195 A K G >< S+ 0 0 46 -4,-0.9 3,-1.6 -3,-0.4 -2,-0.1 0.813 75.1 52.9 -49.8 -44.8 1.8 -36.1 12.0 173 196 A S G 3 S+ 0 0 107 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.1 0.638 107.5 54.8 -70.0 -11.4 -0.0 -37.8 9.1 174 197 A D G < S+ 0 0 38 -3,-2.3 -43,-2.5 -44,-0.1 2,-0.4 0.342 86.5 104.1-102.8 9.5 -2.7 -35.1 9.3 175 198 A I E < -g 131 0A 16 -3,-1.6 2,-0.5 -4,-0.2 -43,-0.2 -0.745 46.2-171.7 -92.7 134.8 -0.3 -32.1 8.9 176 199 A I E -g 132 0A 41 -45,-2.2 -43,-0.9 -2,-0.4 2,-0.2 -0.995 27.9-136.0-115.0 122.7 0.1 -30.2 5.7 177 200 A W E -g 133 0A 51 -2,-0.5 2,-0.5 -45,-0.2 -43,-0.2 -0.535 5.8-143.1 -83.4 144.5 3.1 -27.9 6.2 178 201 A W E -g 134 0A 0 -45,-2.4 -43,-2.8 -2,-0.2 -42,-0.4 -0.938 9.7-170.1-106.3 128.6 3.2 -24.2 5.1 179 202 A S - 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0 0 12 -3,-1.7 3,-0.5 1,-0.2 -1,-0.3 -0.306 37.2-146.1 -50.7 144.8 26.0 -4.8 1.3 234 257 A K S S+ 0 0 160 -183,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.475 97.4 55.3 -92.2 -3.3 27.1 -2.2 -1.2 235 258 A N > + 0 0 33 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 -0.324 66.1 143.9-121.6 46.2 24.5 0.2 0.2 236 259 A K H > S+ 0 0 86 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.916 73.2 43.7 -56.5 -53.0 25.5 0.2 4.0 237 260 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 115.8 48.7 -61.6 -41.6 24.7 3.8 4.8 238 261 A A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 108.7 54.9 -64.7 -36.6 21.4 3.7 2.9 239 262 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.909 107.6 49.0 -64.1 -42.7 20.5 0.4 4.7 240 263 A M H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 111.5 49.4 -64.9 -39.4 21.0 2.1 8.1 241 264 A K H X S+ 0 0 97 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.863 109.6 52.3 -65.2 -35.7 18.9 5.1 7.0 242 265 A F H X S+ 0 0 2 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.930 109.7 47.7 -67.7 -41.7 16.2 2.7 5.8 243 266 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.923 110.6 52.3 -65.0 -40.2 16.1 0.8 9.2 244 267 A A H < S+ 0 0 28 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.906 115.3 42.6 -61.1 -40.4 15.9 4.2 11.0 245 268 A L H >< S+ 0 0 13 -4,-2.1 3,-1.7 1,-0.2 6,-0.3 0.949 112.6 50.7 -69.0 -52.1 12.9 5.2 8.8 246 269 A A H 3< S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.772 114.2 45.6 -59.5 -29.2 11.1 1.8 8.9 247 270 A T T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.377 88.8 111.9 -97.5 4.1 11.3 1.7 12.7 248 271 A S S <> S- 0 0 42 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.273 81.5-102.2 -75.0 163.8 10.2 5.3 13.2 249 272 A A H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 115.9 39.1 -58.4 -52.9 6.8 6.0 14.9 250 273 A Q H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 116.4 51.7 -66.4 -43.6 4.6 6.9 11.9 251 274 A A H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.892 113.3 46.0 -58.3 -40.5 6.2 4.2 9.6 252 275 A Q H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.890 111.6 50.4 -71.6 -40.6 5.6 1.6 12.3 253 276 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.924 112.0 48.9 -62.3 -41.1 2.0 2.8 13.0 254 277 A D H X S+ 0 0 49 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.914 110.5 49.8 -67.1 -37.2 1.4 2.6 9.2 255 278 A M H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 6,-0.4 0.931 113.8 47.1 -63.2 -44.8 2.9 -0.9 8.9 256 279 A A H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.6 0.932 111.0 49.4 -65.4 -44.5 0.7 -2.0 11.9 257 280 A T H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.8 46.7 -58.9 -39.9 -2.5 -0.5 10.5 258 281 A A H 3< S+ 0 0 35 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.624 125.8 25.4 -78.2 -19.1 -1.9 -2.2 7.1 259 282 A T H << S- 0 0 6 -4,-1.2 -54,-0.3 -3,-0.6 -55,-0.2 0.684 91.9-118.7-117.7 -29.3 -1.0 -5.6 8.5 260 283 A G S < S+ 0 0 10 -4,-2.7 2,-0.2 1,-0.4 -4,-0.1 0.481 74.4 124.6 89.6 6.7 -2.6 -6.4 11.8 261 284 A Y - 0 0 3 -6,-0.4 -1,-0.4 -5,-0.3 -2,-0.2 -0.590 66.0-107.8 -92.3 158.4 0.9 -6.8 13.4 262 285 A A B -E 99 0A 0 -163,-2.7 -163,-2.5 -2,-0.2 -1,-0.1 -0.649 32.6-113.2 -88.4 144.6 1.9 -4.7 16.4 263 286 A P - 0 0 11 0, 0.0 -165,-0.1 0, 0.0 -1,-0.1 -0.355 9.4-150.1 -72.4 158.8 4.5 -1.9 16.1 264 287 A V S S+ 0 0 3 -167,-0.3 -178,-2.5 -168,-0.1 2,-0.4 -0.086 74.1 89.4-120.1 28.6 7.9 -2.0 17.7 265 288 A N B > S-K 85 0C 11 -180,-0.2 3,-1.6 -16,-0.1 4,-0.4 -0.997 73.4-142.1-121.8 127.3 8.2 1.8 18.2 266 289 A I T 3 S+ 0 0 106 -182,-2.8 4,-0.2 -2,-0.4 3,-0.1 0.611 98.7 54.0 -69.9 -10.6 6.8 2.8 21.6 267 290 A E T 3 S+ 0 0 68 -183,-0.3 -1,-0.3 1,-0.1 4,-0.2 0.260 89.2 81.4-105.7 11.6 5.3 6.0 20.2 268 291 A S S X S+ 0 0 0 -3,-1.6 3,-1.9 2,-0.1 4,-0.5 0.859 75.3 66.1 -82.2 -42.0 3.4 4.3 17.4 269 292 A A G > S+ 0 0 56 -4,-0.4 3,-1.7 1,-0.3 8,-0.1 0.883 96.1 58.1 -50.9 -42.7 0.2 3.1 19.2 270 293 A K G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.651 101.9 56.1 -62.7 -18.7 -1.0 6.6 19.9 271 294 A L G < S+ 0 0 76 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.539 95.2 89.0 -90.1 -10.5 -1.0 7.4 16.1 272 295 A M S < S- 0 0 15 -3,-1.7 -18,-0.1 -4,-0.5 -19,-0.0 -0.508 91.4 -95.1 -92.9 160.2 -3.3 4.6 15.3 273 296 A D >> - 0 0 74 -2,-0.2 4,-2.8 1,-0.1 3,-1.2 -0.543 35.5-135.4 -64.3 122.3 -7.1 4.2 15.2 274 297 A P H 3> S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.847 104.2 59.3 -53.0 -34.0 -8.0 2.9 18.7 275 298 A K H 34 S+ 0 0 161 2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.807 112.6 38.8 -64.0 -31.8 -10.4 0.3 17.0 276 299 A I H X4 S+ 0 0 45 -3,-1.2 3,-1.5 2,-0.1 4,-0.3 0.904 112.9 55.4 -83.7 -46.0 -7.4 -1.1 15.1 277 300 A A H >< S+ 0 0 20 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.830 99.4 62.2 -57.4 -35.1 -4.9 -0.9 18.0 278 301 A K T 3< S+ 0 0 165 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.698 103.1 49.8 -63.4 -24.1 -7.1 -2.9 20.3 279 302 A S T < S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.402 84.5 113.2 -95.6 -4.1 -6.9 -6.0 18.1 280 303 A L S X> S- 0 0 3 -3,-1.3 3,-2.6 -4,-0.3 4,-0.6 -0.335 81.4-106.3 -73.9 156.0 -3.1 -6.1 17.6 281 304 A P G >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -181,-0.1 0.806 117.4 61.6 -54.8 -32.8 -1.1 -9.0 19.1 282 305 A D G 34 S+ 0 0 57 1,-0.2 3,-0.1 -183,-0.2 -4,-0.1 0.580 108.4 45.0 -72.4 -5.8 0.4 -6.9 22.0 283 306 A Q G <4 S+ 0 0 111 -3,-2.6 2,-1.5 -6,-0.1 3,-0.3 0.427 88.1 88.1-106.9 -7.4 -3.3 -6.3 23.2 284 307 A Q << + 0 0 47 -3,-1.1 3,-0.2 -4,-0.6 -64,-0.2 -0.411 53.9 130.6 -92.3 62.6 -4.4 -10.0 22.9 285 308 A T > + 0 0 87 -2,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.433 28.9 97.2-103.3 -2.8 -3.1 -10.7 26.4 286 309 A E T 3 S+ 0 0 204 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.914 111.9 3.0 -52.8 -46.9 -6.1 -12.5 28.1 287 310 A S T 3 S+ 0 0 53 -3,-0.2 -67,-1.2 -70,-0.2 -68,-1.1 -0.845 94.9 147.2-145.0 97.6 -4.4 -15.9 27.3 288 311 A Q E < -i 220 0A 40 -3,-0.5 2,-0.4 -2,-0.3 -67,-0.2 -0.987 32.2-154.6-139.7 147.6 -1.1 -15.4 25.6 289 312 A V E -i 221 0A 5 -69,-3.1 -67,-2.8 -2,-0.3 2,-0.7 -0.958 14.7-142.7-121.3 137.0 2.3 -17.2 25.6 290 313 A N E -i 222 0A 95 -2,-0.4 -67,-0.1 -69,-0.2 -69,-0.1 -0.891 13.8-139.9-105.7 113.8 5.6 -15.4 24.7 291 314 A A - 0 0 15 -69,-2.1 2,-0.9 -2,-0.7 3,-0.1 -0.415 17.3-127.5 -66.6 147.9 8.1 -17.4 22.7 292 315 A D > + 0 0 61 1,-0.2 4,-1.9 -2,-0.1 5,-0.1 -0.815 28.6 177.3-103.2 97.4 11.6 -17.0 23.8 293 316 A M H > S+ 0 0 18 -2,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.772 80.2 57.5 -72.3 -24.0 13.7 -16.0 20.8 294 317 A N H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 105.8 50.1 -72.4 -38.2 16.8 -15.6 22.8 295 318 A Y H > S+ 0 0 40 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.949 113.5 46.2 -60.7 -47.1 16.5 -19.2 24.0 296 319 A W H >< S+ 0 0 2 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.921 109.3 54.4 -62.5 -41.8 16.1 -20.3 20.4 297 320 A A H >< S+ 0 0 12 -4,-2.5 3,-0.9 1,-0.3 4,-0.2 0.912 107.9 50.9 -59.6 -38.5 19.0 -18.1 19.2 298 321 A Q H 3< S+ 0 0 155 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.701 125.3 26.6 -71.3 -22.0 21.3 -19.9 21.8 299 322 A H T S+ 0 0 39 -3,-0.9 4,-2.2 -4,-0.3 5,-0.1 0.865 73.0 42.7 -58.4 -48.0 19.3 -22.6 17.0 301 324 A D H > S+ 0 0 88 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 116.1 48.8 -67.1 -39.7 21.4 -25.1 15.1 302 325 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.8 46.7 -69.6 -42.2 20.7 -27.9 17.5 303 326 A I H X S+ 0 0 5 -4,-2.7 4,-2.8 -7,-0.2 -1,-0.2 0.944 112.3 53.0 -64.0 -41.1 16.9 -27.4 17.6 304 327 A G H X S+ 0 0 9 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.926 107.6 49.9 -58.6 -45.5 17.0 -27.2 13.8 305 328 A E H X S+ 0 0 129 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.943 114.6 45.0 -58.4 -45.4 18.9 -30.5 13.4 306 329 A R H X S+ 0 0 90 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.877 111.9 52.4 -65.9 -41.0 16.4 -32.2 15.7 307 330 A W H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.950 113.3 41.8 -61.3 -50.9 13.4 -30.6 14.0 308 331 A Y H X S+ 0 0 96 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.889 114.5 52.0 -68.3 -35.6 14.4 -31.7 10.4 309 332 A A H X S+ 0 0 66 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.936 110.8 48.5 -65.2 -40.0 15.5 -35.2 11.6 310 333 A W H >< S+ 0 0 6 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.917 107.3 54.9 -66.1 -41.8 12.1 -35.6 13.3 311 334 A Q H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.0 45.0 -57.2 -36.4 10.2 -34.5 10.2 312 335 A A H 3< 0 0 89 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.604 360.0 360.0 -84.8 -11.0 12.1 -37.2 8.2 313 336 A K << 0 0 155 -4,-1.0 -3,-0.0 -3,-0.8 -4,-0.0 -0.328 360.0 360.0 -65.7 360.0 11.5 -39.9 10.8