==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-MAR-08 3CK9 . COMPND 2 MOLECULE: SUSD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR N.M.KOROPATKIN,E.C.MARTENS,J.I.GORDON,T.J.SMITH . 1023 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 1 0.1 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 . 51 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 5 2 2 2 0 8 0 4 3 0 2 0 0 0 1 0 0 0 0 2 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 37 A Q 0 0 189 0, 0.0 2,-0.2 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 109.1 -0.5 -53.3 -2.9 2 38 A T > + 0 0 76 4,-0.1 3,-2.0 3,-0.0 2,-0.3 -0.737 360.0 13.0-126.9 175.1 -3.7 -54.4 -4.5 3 39 A G G > S+ 0 0 54 1,-0.3 3,-1.3 -2,-0.2 94,-0.0 -0.408 133.9 7.0 63.0-122.0 -7.0 -55.9 -3.4 4 40 A G G 3 S+ 0 0 93 -2,-0.3 -1,-0.3 1,-0.3 0, 0.0 0.712 137.4 51.5 -65.3 -19.1 -7.5 -55.8 0.3 5 41 A S G < S+ 0 0 73 -3,-2.0 2,-0.7 2,-0.1 -1,-0.3 0.485 81.9 110.5 -94.4 -7.4 -4.3 -53.8 0.5 6 42 A F < - 0 0 28 -3,-1.3 2,-1.4 1,-0.1 3,-0.2 -0.611 55.8-157.9 -74.7 112.4 -5.5 -51.2 -2.1 7 43 A D > - 0 0 103 -2,-0.7 4,-3.0 -6,-0.2 5,-0.3 -0.699 12.9-176.7 -91.2 83.1 -6.1 -47.9 -0.3 8 44 A Q H > S+ 0 0 37 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.920 79.2 45.8 -46.7 -59.1 -8.5 -46.5 -2.9 9 45 A Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 115.1 48.7 -53.0 -47.4 -8.9 -43.1 -1.2 10 46 A G H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 113.4 44.3 -60.6 -47.6 -5.2 -42.8 -0.6 11 47 A V H X S+ 0 0 33 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.854 110.3 57.3 -66.5 -34.0 -4.2 -43.7 -4.1 12 48 A F H X S+ 0 0 5 -4,-2.8 4,-1.0 -5,-0.3 3,-0.2 0.940 109.0 45.2 -60.7 -46.6 -6.9 -41.3 -5.4 13 49 A V H X S+ 0 0 75 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.863 108.2 56.1 -65.9 -37.1 -5.4 -38.4 -3.5 14 50 A K H X S+ 0 0 74 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.807 96.8 67.4 -64.9 -27.6 -1.9 -39.4 -4.7 15 51 A G H < S+ 0 0 3 -4,-1.5 3,-0.3 -3,-0.2 4,-0.2 0.957 107.4 37.4 -55.6 -49.3 -3.3 -39.1 -8.2 16 52 A Y H >< S+ 0 0 29 -4,-1.0 3,-1.4 -3,-0.3 4,-0.5 0.818 109.2 63.8 -72.2 -32.4 -3.7 -35.3 -7.6 17 53 A A H >X S+ 0 0 36 -4,-1.9 4,-2.0 1,-0.3 3,-1.1 0.799 86.5 70.9 -64.0 -30.4 -0.5 -35.0 -5.6 18 54 A M T 3< S+ 0 0 5 -4,-1.7 19,-0.6 -3,-0.3 -1,-0.3 0.747 90.4 64.6 -59.0 -20.8 1.7 -36.0 -8.6 19 55 A L T <4 S+ 0 0 3 -3,-1.4 19,-0.5 -4,-0.2 -1,-0.3 0.868 120.7 14.8 -70.1 -35.7 0.7 -32.6 -10.1 20 56 A G T <4 S+ 0 0 4 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.436 117.3 56.5-124.7 4.7 2.5 -30.7 -7.3 21 57 A V < - 0 0 38 -4,-2.0 2,-0.3 235,-0.1 16,-0.2 -0.984 65.4-131.3-137.6 148.0 4.9 -32.9 -5.3 22 58 A T - 0 0 19 230,-0.4 230,-0.1 -2,-0.3 14,-0.1 -0.764 24.4-132.9 -94.6 143.5 7.8 -35.1 -6.2 23 59 A G 0 0 37 -2,-0.3 -1,-0.2 1,-0.2 13,-0.0 0.726 360.0 360.0 -61.3-121.5 7.8 -38.6 -4.7 24 60 A Q 0 0 225 8,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.287 360.0 360.0-146.6 360.0 11.0 -39.8 -3.1 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 68 A D 0 0 204 0, 0.0 2,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 69.8 15.0 -42.6 -10.3 27 69 A L > - 0 0 42 1,-0.1 3,-1.1 4,-0.1 2,-0.2 -0.382 360.0-103.8 -74.5 145.7 17.1 -41.2 -13.1 28 70 A D T 3 S+ 0 0 164 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.445 100.0 6.3 -69.2 132.2 20.8 -40.9 -13.1 29 71 A G T 3 S+ 0 0 47 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.795 97.6 126.8 66.5 30.3 22.3 -37.5 -12.5 30 72 A Q < - 0 0 35 -3,-1.1 -1,-0.2 49,-0.0 5,-0.1 -0.959 57.8-133.4-126.2 116.8 18.9 -35.9 -11.7 31 73 A D > - 0 0 121 -2,-0.5 3,-2.3 1,-0.1 4,-0.4 -0.363 24.6-123.3 -61.0 140.9 18.2 -33.9 -8.5 32 74 A E G > S+ 0 0 101 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.869 111.8 63.0 -55.0 -37.2 14.9 -35.1 -7.1 33 75 A G G 3 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.476 97.9 56.7 -68.2 -2.2 13.7 -31.5 -7.3 34 76 A E G < S+ 0 0 18 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.460 91.2 73.0-103.8 -8.2 14.0 -31.6 -11.1 35 77 A S < + 0 0 20 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.1 0.527 68.2 124.5 -86.0 -8.4 11.7 -34.6 -11.5 36 78 A G > - 0 0 0 -4,-0.3 4,-1.9 1,-0.1 5,-0.3 -0.101 65.9-128.9 -59.3 149.8 8.4 -32.8 -10.8 37 79 A F H > S+ 0 0 1 -19,-0.6 4,-1.6 -16,-0.2 5,-0.3 0.947 109.3 44.8 -58.8 -48.5 5.5 -32.8 -13.2 38 80 A Y H > S+ 0 0 4 -19,-0.5 4,-2.6 -20,-0.2 5,-0.2 0.954 113.4 45.5 -64.4 -52.3 5.3 -29.0 -12.9 39 81 A R H > S+ 0 0 16 216,-0.3 4,-2.7 1,-0.2 5,-0.2 0.903 113.3 48.5 -60.1 -45.2 8.9 -28.1 -13.3 40 82 A T H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.900 116.6 41.3 -64.6 -44.1 9.7 -30.4 -16.2 41 83 A T H X S+ 0 0 2 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.895 114.2 54.4 -70.4 -38.2 6.7 -29.3 -18.3 42 84 A F H >X S+ 0 0 1 -4,-2.6 3,-0.8 -5,-0.3 4,-0.6 0.946 109.3 46.3 -59.6 -51.9 7.2 -25.7 -17.3 43 85 A N H >X S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.3 4,-0.9 0.926 109.6 54.0 -58.8 -45.0 10.8 -25.6 -18.5 44 86 A C H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 118.0 37.5 -63.4 -20.0 9.9 -27.3 -21.8 45 87 A N H << S+ 0 0 0 -4,-1.0 409,-2.1 -3,-0.8 -1,-0.3 0.337 130.2 26.0-112.0 5.1 7.3 -24.6 -22.4 46 88 A E H X< S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.6 6,-0.6 0.657 102.9 64.2-130.4 -56.6 9.2 -21.6 -21.0 47 89 A L T 3< S+ 0 0 0 -4,-0.9 7,-0.2 -5,-0.3 -3,-0.1 0.750 108.0 46.5 -48.3 -32.9 13.0 -21.7 -21.0 48 90 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 426,-0.3 0.605 104.4 86.2 -86.9 -9.9 13.2 -21.8 -24.8 49 91 A T S < S- 0 0 0 -3,-2.2 3,-0.4 424,-0.1 -3,-0.1 -0.127 92.2-100.5 -89.3-179.0 10.7 -19.0 -25.2 50 92 A D S S+ 0 0 0 1,-0.2 237,-0.4 236,-0.1 234,-0.3 0.434 107.4 73.6 -77.3 -0.4 10.6 -15.2 -25.4 51 93 A E S S- 0 0 2 -5,-0.4 233,-0.8 1,-0.2 2,-0.3 0.873 101.0 -8.2 -86.5 -38.3 9.4 -15.1 -21.8 52 94 A C E -A 283 0A 0 -6,-0.6 2,-0.3 -3,-0.4 231,-0.2 -0.956 47.1-138.0-156.0 173.1 12.4 -16.0 -19.6 53 95 A L E -A 282 0A 1 229,-2.5 229,-1.7 -2,-0.3 2,-0.7 -0.964 21.7-127.2-135.6 150.3 16.0 -17.1 -19.2 54 96 A W E -A 281 0A 6 -2,-0.3 227,-0.2 -7,-0.2 226,-0.1 -0.893 19.5-153.9 -99.0 117.1 17.7 -19.5 -16.8 55 97 A A S S+ 0 0 6 225,-3.2 2,-1.4 -2,-0.7 -1,-0.1 0.824 81.0 66.4 -61.3 -37.6 20.7 -17.6 -15.3 56 98 A W > + 0 0 136 1,-0.2 3,-1.8 224,-0.1 -1,-0.2 -0.610 58.4 171.7 -93.4 81.9 22.9 -20.6 -14.5 57 99 A Q T 3 + 0 0 42 -2,-1.4 5,-0.2 1,-0.3 -1,-0.2 0.615 68.0 74.5 -62.5 -17.0 23.7 -21.8 -17.9 58 100 A K T 3 S+ 0 0 205 -3,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.703 71.1 107.6 -72.3 -17.0 26.2 -24.3 -16.6 59 101 A N S X S- 0 0 59 -3,-1.8 3,-1.9 1,-0.1 0, 0.0 -0.373 90.8 -85.2 -60.6 139.3 23.3 -26.5 -15.3 60 102 A Q T 3 S- 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.166 105.9 -2.6 -52.3 129.9 23.0 -29.6 -17.5 61 103 A D T 3> S+ 0 0 11 -3,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.478 96.3 117.4 68.0 5.5 21.0 -29.2 -20.7 62 104 A I H <> S+ 0 0 1 -3,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.925 72.6 50.2 -68.8 -46.9 20.1 -25.6 -20.0 63 105 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.899 109.9 53.6 -58.7 -37.9 21.9 -24.0 -23.0 64 106 A Q H 4>S+ 0 0 70 1,-0.2 5,-2.7 2,-0.2 6,-0.5 0.931 113.6 40.1 -60.8 -49.2 20.1 -26.6 -25.2 65 107 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.7 3,-0.2 -1,-0.2 0.864 111.2 59.7 -68.6 -37.1 16.6 -25.6 -23.9 66 108 A T H 3<5S+ 0 0 4 -4,-2.9 409,-0.2 1,-0.2 408,-0.2 0.878 118.8 25.9 -59.4 -42.4 17.5 -21.9 -23.8 67 109 A S T 3<5S- 0 0 21 -4,-1.8 -1,-0.2 407,-0.2 -2,-0.2 0.167 108.6-108.8-112.1 18.3 18.2 -21.7 -27.6 68 110 A I T < 5S+ 0 0 1 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.936 81.8 122.1 56.9 50.7 16.1 -24.5 -29.0 69 111 A S < + 0 0 56 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 -0.005 31.1 135.3-131.7 29.7 19.2 -26.7 -29.8 70 112 A W - 0 0 1 -6,-0.5 -9,-0.0 -5,-0.1 0, 0.0 -0.155 36.7-152.2 -72.8 172.8 18.5 -29.9 -27.8 71 113 A S > - 0 0 47 437,-0.1 3,-2.4 419,-0.1 6,-0.1 -0.811 39.9 -84.5-136.2 176.1 18.9 -33.4 -29.2 72 114 A P T 3 S+ 0 0 19 0, 0.0 421,-2.6 0, 0.0 422,-0.3 0.653 126.5 62.3 -61.7 -10.7 17.3 -36.8 -28.5 73 115 A S T 3 S+ 0 0 80 419,-0.2 2,-0.1 420,-0.1 5,-0.1 0.352 73.3 140.9 -94.3 6.6 19.8 -37.2 -25.7 74 116 A S <> - 0 0 2 -3,-2.4 4,-1.6 1,-0.2 3,-0.3 -0.273 43.2-155.7 -51.5 118.3 18.4 -34.2 -23.9 75 117 A Q H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 93.8 50.0 -65.0 -41.3 18.3 -34.9 -20.2 76 118 A R H > S+ 0 0 7 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.698 108.4 53.9 -72.1 -17.8 15.4 -32.4 -19.5 77 119 A T H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.846 109.2 47.5 -81.8 -36.6 13.4 -34.0 -22.4 78 120 A E H X S+ 0 0 45 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.906 107.9 58.3 -68.3 -41.0 13.8 -37.4 -20.8 79 121 A W H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 110.9 38.7 -54.8 -51.5 12.8 -36.0 -17.5 80 122 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 -40,-0.2 -1,-0.2 0.857 116.5 53.2 -69.8 -33.8 9.4 -34.7 -18.6 81 123 A Y H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.935 114.2 40.4 -64.9 -49.3 8.8 -37.7 -20.8 82 124 A V H X S+ 0 0 58 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.887 114.5 52.6 -68.2 -41.5 9.4 -40.2 -18.0 83 125 A R H X S+ 0 0 24 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.947 111.7 46.3 -60.0 -49.3 7.6 -38.1 -15.4 84 126 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 115.0 46.9 -59.1 -46.7 4.5 -37.9 -17.7 85 127 A G H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.915 111.1 52.1 -63.0 -43.4 4.6 -41.6 -18.4 86 128 A Y H X S+ 0 0 98 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.931 107.1 50.9 -60.0 -48.4 5.1 -42.5 -14.7 87 129 A D H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.898 109.6 52.5 -56.4 -41.5 2.1 -40.5 -13.5 88 130 A I H X S+ 0 0 5 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.900 103.4 54.9 -63.6 -41.2 -0.1 -42.2 -16.2 89 131 A T H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.883 107.9 52.4 -60.0 -34.1 1.0 -45.7 -15.0 90 132 A Q H X S+ 0 0 38 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.885 110.6 45.9 -67.5 -38.8 -0.2 -44.6 -11.6 91 133 A Y H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.897 111.2 52.0 -69.7 -41.2 -3.6 -43.5 -13.0 92 134 A N H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 45,-0.5 0.889 108.2 53.4 -60.9 -38.7 -3.9 -46.7 -15.0 93 135 A F H X S+ 0 0 30 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.944 109.5 46.8 -60.9 -50.3 -3.2 -48.6 -11.8 94 136 A F H X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.907 114.1 48.0 -59.7 -43.3 -6.0 -46.8 -10.0 95 137 A L H X S+ 0 0 4 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.874 112.1 49.0 -66.5 -38.4 -8.4 -47.4 -12.8 96 138 A D H >< S+ 0 0 44 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.928 110.9 50.2 -67.7 -42.7 -7.6 -51.0 -13.1 97 139 A Q H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 117.3 39.5 -67.2 -24.5 -8.0 -51.6 -9.4 98 140 A T H >< S+ 0 0 0 -4,-1.3 3,-2.3 -5,-0.2 -1,-0.2 0.439 83.8 135.1-104.2 -1.5 -11.4 -49.9 -9.3 99 141 A E T << S+ 0 0 115 -4,-0.7 3,-0.1 -3,-0.6 -3,-0.1 -0.199 71.7 20.3 -50.8 129.4 -12.6 -51.4 -12.6 100 142 A G T 3 S+ 0 0 61 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.176 87.7 128.9 96.8 -19.1 -16.2 -52.7 -12.3 101 143 A M < - 0 0 73 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.0 -0.597 32.9-177.9 -74.3 125.4 -17.1 -50.6 -9.2 102 144 A T + 0 0 119 -2,-0.4 -1,-0.1 -3,-0.1 2,-0.1 0.278 34.2 125.9-109.1 9.7 -20.3 -48.8 -9.8 103 145 A D > - 0 0 65 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.417 69.9-117.2 -71.5 146.8 -20.8 -46.8 -6.6 104 146 A A H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.876 112.4 52.6 -47.6 -46.8 -21.2 -43.1 -7.0 105 147 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 111.8 42.9 -57.6 -55.0 -18.0 -42.3 -5.1 106 148 A T H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.886 110.8 56.9 -61.0 -40.2 -15.8 -44.5 -7.2 107 149 A L H X S+ 0 0 59 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.932 109.4 45.4 -57.7 -45.5 -17.4 -43.3 -10.4 108 150 A R H X S+ 0 0 76 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 113.3 49.6 -65.5 -40.9 -16.6 -39.7 -9.6 109 151 A Q H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.942 111.2 49.2 -62.1 -46.8 -13.0 -40.6 -8.6 110 152 A R H X S+ 0 0 32 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.867 108.9 54.1 -59.9 -37.8 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107.4 52.0 -59.4 -46.2 10.8 36.8 24.0 603 129 B D H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.915 109.0 52.6 -57.0 -42.7 9.7 36.2 20.4 604 130 B I H X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.892 104.0 54.4 -62.9 -39.9 7.8 39.5 20.6 605 131 B T H X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.930 108.2 51.6 -60.4 -40.6 10.8 41.4 21.8 606 132 B Q H X S+ 0 0 57 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.893 110.8 47.2 -61.9 -40.2 12.7 40.1 18.8 607 133 B Y H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.938 111.8 49.3 -66.7 -45.3 9.9 41.2 16.4 608 134 B N H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 45,-0.5 0.862 108.5 55.8 -61.0 -34.8 9.7 44.7 18.0 609 135 B F H X S+ 0 0 24 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.952 109.1 44.8 -62.0 -49.9 13.5 44.9 17.7 610 136 B F H X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.910 114.2 50.4 -60.1 -43.2 13.3 44.2 13.9 611 137 B L H X S+ 0 0 5 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.867 111.6 46.8 -64.0 -39.1 10.4 46.7 13.6 612 138 B D H >< S+ 0 0 46 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.876 111.0 52.8 -70.8 -37.2 12.2 49.5 15.5 613 139 B Q H 3< S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 116.0 39.2 -70.4 -23.3 15.4 48.9 13.5 614 140 B T H >< S+ 0 0 0 -4,-1.3 3,-2.2 -5,-0.2 -1,-0.2 0.385 83.1 136.6-107.2 2.4 13.5 49.2 10.2 615 141 B E T << S+ 0 0 113 -3,-0.5 3,-0.1 -4,-0.5 -3,-0.1 -0.217 71.2 21.4 -51.9 132.3 11.2 52.1 11.3 616 142 B G T 3 S+ 0 0 63 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.209 86.8 129.5 93.7 -16.6 10.9 54.7 8.6 617 143 B M < + 0 0 70 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.0 -0.626 29.9 178.2 -77.1 122.2 12.0 52.5 5.7 618 144 B T + 0 0 115 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.0 0.376 33.7 123.8-106.3 3.9 9.5 52.8 2.8 619 145 B D S > S- 0 0 75 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.348 71.0-115.9 -67.3 149.0 11.0 50.5 0.2 620 146 B A H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.834 112.5 52.7 -51.6 -42.5 8.8 47.7 -1.1 621 147 B E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.977 112.1 44.0 -61.3 -54.5 11.0 44.9 0.3 622 148 B T H > S+ 0 0 4 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.892 110.5 55.8 -57.8 -42.4 11.1 46.3 3.8 623 149 B L H X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 109.3 46.6 -59.5 -38.9 7.4 47.0 3.8 624 150 B R H X S+ 0 0 63 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.931 113.5 48.9 -70.2 -41.4 6.6 43.4 3.0 625 151 B Q H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.950 112.0 48.1 -60.8 -50.0 9.0 42.2 5.7 626 152 B R H X S+ 0 0 32 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.907 109.9 53.5 -56.7 -44.2 7.6 44.5 8.3 627 153 B A H X S+ 0 0 2 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.903 112.8 43.1 -58.8 -43.6 4.0 43.4 7.4 628 154 B E H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.868 112.5 52.7 -71.3 -36.4 5.0 39.7 7.8 629 155 B I H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.885 108.4 50.8 -66.6 -36.7 6.9 40.5 11.0 630 156 B R H X S+ 0 0 40 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.803 107.3 55.6 -70.1 -26.7 3.8 42.2 12.4 631 157 B F H X S+ 0 0 0 -4,-1.1 4,-3.3 -5,-0.2 5,-0.2 0.957 107.0 47.9 -67.1 -50.4 1.8 39.1 11.5 632 158 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.892 113.6 48.2 -57.6 -40.7 4.1 36.9 13.5 633 159 B R H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.929 111.4 50.1 -65.3 -45.1 3.8 39.3 16.4 634 160 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.927 109.5 50.9 -58.1 -47.5 0.0 39.4 16.0 635 161 B L H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.916 110.8 50.0 -56.6 -43.6 -0.1 35.6 16.0 636 162 B H H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.915 107.1 52.4 -62.9 -44.2 2.0 35.6 19.2 637 163 B Y H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.795 103.3 60.5 -63.2 -25.8 -0.3 38.1 20.9 638 164 B W H 3X S+ 0 0 3 -4,-1.7 4,-3.1 -3,-0.2 -1,-0.2 0.839 102.8 50.6 -68.8 -34.1 -3.2 35.8 20.0 639 165 B Y H S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-1.1 0.944 115.6 44.3 -59.6 -47.0 -1.2 35.5 25.0 641 167 B L H X5S+ 0 0 2 -4,-2.5 4,-1.0 4,-0.2 -2,-0.2 0.946 117.5 42.8 -62.5 -51.8 -4.9 36.4 24.6 642 168 B D H <5S+ 0 0 10 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 124.1 36.5 -65.0 -36.9 -6.2 32.9 24.1 643 169 B L H <5S+ 0 0 0 -4,-2.8 362,-3.2 -5,-0.2 -2,-0.2 0.898 137.1 12.0 -84.5 -46.1 -4.0 31.4 26.9 644 170 B F H <5S- 0 0 0 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.590 89.5-125.4-110.1 -15.5 -3.9 34.1 29.6 645 171 B G S <> -H 646 0F 100 -2,-0.4 4,-1.8 -16,-0.2 3,-1.4 -0.753 32.6 -20.6-129.8 177.1 -6.0 42.5 28.2 663 189 B G H 3> S+ 0 0 16 -18,-2.9 4,-3.2 1,-0.3 3,-0.2 0.148 123.9 7.5 31.7-125.4 -9.2 41.2 26.9 664 190 B T H 3> S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.806 132.1 54.0 -53.2 -35.6 -11.0 43.4 24.5 665 191 B E H <> S+ 0 0 101 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.930 113.4 41.2 -67.7 -44.6 -8.1 45.9 24.3 666 192 B L H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.938 114.8 53.7 -66.3 -45.6 -5.7 43.2 23.4 667 193 B Y H X S+ 0 0 20 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.927 109.2 47.2 -52.4 -53.1 -8.2 41.7 21.0 668 194 B T H X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.860 108.7 55.3 -60.5 -38.9 -8.8 45.0 19.2 669 195 B Y H X S+ 0 0 32 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.883 108.8 47.6 -63.0 -39.8 -5.1 45.6 18.9 670 196 B I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.963 112.4 47.4 -67.2 -51.8 -4.5 42.2 17.1 671 197 B Q H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 113.2 51.7 -52.5 -47.9 -7.4 42.7 14.7 672 198 B N H X S+ 0 0 79 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.934 108.4 48.1 -53.8 -57.3 -6.1 46.2 14.0 673 199 B E H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.934 113.8 48.6 -49.0 -52.8 -2.5 45.1 13.2 674 200 B L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.834 111.9 48.4 -59.6 -36.4 -3.8 42.4 10.9 675 201 B N H < S+ 0 0 83 -4,-2.2 4,-0.4 -5,-0.2 3,-0.2 0.876 112.5 49.4 -73.7 -35.7 -6.1 44.8 9.1 676 202 B E H < S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.808 113.0 44.6 -71.9 -32.7 -3.4 47.3 8.7 677 203 B I H >X S+ 0 0 1 -4,-2.1 3,-0.9 -5,-0.2 4,-0.6 0.540 86.7 91.0 -92.0 -8.0 -0.7 45.0 7.3 678 204 B E G >< S+ 0 0 41 -4,-0.7 3,-1.8 -3,-0.2 -1,-0.2 0.905 79.6 58.1 -53.2 -51.8 -2.9 43.0 4.8 679 205 B A G 34 S+ 0 0 82 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.775 107.2 48.8 -52.6 -31.3 -2.3 45.3 1.8 680 206 B D G <4 S+ 0 0 66 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.559 93.9 95.8 -88.9 -6.9 1.4 44.7 2.0 681 207 B 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