==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-MAR-08 3CK8 . COMPND 2 MOLECULE: SUSD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR N.M.KOROPATKIN,E.C.MARTENS,J.I.GORDON,T.J.SMITH . 1002 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 4.5 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 . 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 . 47 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 2 6 2 2 0 7 0 4 3 2 2 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 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 . 4 0 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 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 0 186 0, 0.0 2,-0.2 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 129.4 -0.5 -53.2 -2.8 2 38 A T > + 0 0 69 4,-0.1 3,-1.9 5,-0.0 2,-0.2 -0.814 360.0 16.3-137.4 177.0 -3.8 -54.3 -4.4 3 39 A G G > S+ 0 0 55 1,-0.3 3,-0.8 -2,-0.2 87,-0.0 -0.388 132.4 4.4 61.3-122.9 -7.1 -55.9 -3.6 4 40 A G G 3 S+ 0 0 92 1,-0.2 -1,-0.3 -2,-0.2 0, 0.0 0.782 139.5 48.4 -64.9 -26.7 -7.7 -55.8 0.2 5 41 A S G < S+ 0 0 73 -3,-1.9 2,-0.6 2,-0.1 -1,-0.2 0.554 81.5 113.6 -89.3 -11.7 -4.5 -53.7 0.7 6 42 A F < - 0 0 24 -3,-0.8 2,-1.6 1,-0.1 3,-0.2 -0.504 59.1-152.1 -64.7 112.2 -5.3 -51.3 -2.1 7 43 A D > + 0 0 103 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 -0.635 18.1 179.9 -88.1 80.5 -5.9 -48.0 -0.4 8 44 A Q H > S+ 0 0 36 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.907 78.0 47.6 -47.1 -55.2 -8.3 -46.5 -2.9 9 45 A Q H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 114.9 46.5 -54.5 -49.9 -8.8 -43.2 -1.1 10 46 A G H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 112.8 47.6 -61.9 -42.3 -5.1 -42.8 -0.6 11 47 A V H X S+ 0 0 26 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.855 109.3 56.0 -68.1 -33.9 -4.1 -43.6 -4.2 12 48 A F H X S+ 0 0 5 -4,-2.5 4,-1.0 -5,-0.3 3,-0.3 0.948 109.5 45.3 -61.5 -48.3 -6.9 -41.3 -5.4 13 49 A V H >X S+ 0 0 76 -4,-2.2 4,-2.2 1,-0.2 3,-0.7 0.897 109.8 54.7 -61.8 -42.8 -5.3 -38.4 -3.4 14 50 A K H 3X S+ 0 0 67 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.817 97.0 66.6 -61.7 -30.3 -1.8 -39.3 -4.6 15 51 A G H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.908 109.4 36.5 -56.8 -41.4 -3.2 -39.1 -8.2 16 52 A Y H XX S+ 0 0 30 -4,-1.0 3,-1.8 -3,-0.7 4,-0.5 0.829 109.6 64.8 -78.3 -34.7 -3.6 -35.4 -7.6 17 53 A A H >X S+ 0 0 36 -4,-2.2 4,-2.0 1,-0.3 3,-1.2 0.835 86.8 70.4 -58.1 -34.9 -0.5 -35.1 -5.5 18 54 A M H 3< S+ 0 0 10 -4,-2.0 12,-0.6 1,-0.3 -1,-0.3 0.675 91.1 62.5 -58.5 -17.1 1.7 -36.1 -8.5 19 55 A L H <4 S+ 0 0 4 -3,-1.8 12,-0.5 -5,-0.1 -1,-0.3 0.852 119.9 18.2 -77.2 -34.7 0.9 -32.6 -9.9 20 56 A G H << S+ 0 0 5 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.471 117.4 53.8-119.8 -0.1 2.5 -30.7 -7.1 21 57 A V < 0 0 42 -4,-2.0 9,-0.3 228,-0.1 225,-0.1 -0.944 360.0 360.0-134.5 157.1 4.9 -33.0 -5.2 22 58 A T 0 0 56 223,-0.4 223,-0.1 -2,-0.3 4,-0.1 -0.752 360.0 360.0-111.9 360.0 7.9 -35.3 -6.0 23 ! 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 24 73 A D 0 0 166 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 179.8 17.9 -34.3 -8.4 25 74 A E + 0 0 123 1,-0.2 3,-0.2 2,-0.2 4,-0.1 0.670 360.0 63.0 -82.7 -20.0 14.3 -35.3 -7.5 26 75 A G S S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.523 100.0 53.1 -82.3 -6.4 13.5 -31.6 -7.3 27 76 A E S S+ 0 0 26 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.638 103.4 57.3 -98.6 -20.3 14.2 -31.3 -11.0 28 77 A S S S+ 0 0 30 -4,-0.4 -2,-0.1 -3,-0.2 -1,-0.1 0.186 72.5 127.1-101.0 17.7 11.9 -34.1 -12.1 29 78 A G S > S- 0 0 0 -3,-0.2 4,-1.9 1,-0.1 5,-0.3 -0.275 70.5-111.3 -70.8 161.3 8.6 -33.0 -10.8 30 79 A F H > S+ 0 0 1 -12,-0.6 4,-1.7 -9,-0.3 5,-0.3 0.936 114.3 43.7 -56.4 -49.4 5.5 -32.8 -13.0 31 80 A Y H > S+ 0 0 3 -12,-0.5 4,-2.6 1,-0.2 5,-0.2 0.934 113.7 47.0 -66.4 -48.1 5.3 -29.0 -12.9 32 81 A R H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 112.6 48.4 -62.7 -44.5 9.0 -28.1 -13.3 33 82 A T H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 40,-0.2 0.936 117.6 40.0 -63.9 -47.7 9.7 -30.4 -16.3 34 83 A T H X S+ 0 0 2 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.912 115.3 54.2 -67.6 -40.0 6.6 -29.3 -18.3 35 84 A F H X S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.3 3,-0.4 0.940 109.4 46.5 -58.2 -50.4 7.2 -25.7 -17.2 36 85 A N H >X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.2 3,-0.8 0.906 110.1 52.5 -61.7 -42.5 10.8 -25.6 -18.5 37 86 A C H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 117.7 39.1 -64.2 -27.0 9.9 -27.3 -21.8 38 87 A N H 3< S+ 0 0 0 -4,-1.5 409,-2.3 -3,-0.4 -1,-0.2 0.426 129.5 26.8-101.7 0.2 7.2 -24.7 -22.4 39 88 A E H X< S+ 0 0 0 -3,-0.8 3,-1.7 -4,-0.8 6,-0.7 0.719 102.8 63.5-126.4 -53.6 9.1 -21.7 -21.0 40 89 A L T 3< S+ 0 0 0 -4,-1.3 7,-0.2 -5,-0.3 -3,-0.1 0.780 108.1 46.3 -51.8 -33.6 12.9 -21.7 -21.1 41 90 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 426,-0.2 0.590 104.4 85.7 -85.1 -11.3 13.1 -21.8 -24.9 42 91 A T S < S- 0 0 0 -3,-1.7 3,-0.2 424,-0.1 -3,-0.1 -0.036 92.1-101.6 -85.1-174.5 10.5 -19.0 -25.3 43 92 A D S S+ 0 0 0 1,-0.2 237,-0.5 236,-0.1 234,-0.4 0.543 106.6 74.1 -82.6 -10.1 10.4 -15.2 -25.3 44 93 A E S S- 0 0 2 -5,-0.3 233,-0.7 1,-0.1 2,-0.3 0.873 102.2 -8.3 -76.1 -39.8 9.2 -15.1 -21.7 45 94 A C E -A 276 0A 0 -6,-0.7 2,-0.3 231,-0.3 231,-0.2 -0.943 47.7-138.9-154.4 175.1 12.3 -16.0 -19.7 46 95 A L E -A 275 0A 1 229,-2.2 229,-1.7 -2,-0.3 2,-0.6 -0.992 23.6-125.4-140.0 143.3 15.9 -17.2 -19.4 47 96 A W E -A 274 0A 7 -2,-0.3 227,-0.2 -7,-0.2 226,-0.1 -0.819 22.1-148.4 -89.0 122.4 17.6 -19.5 -16.9 48 97 A A S S+ 0 0 3 225,-3.3 2,-0.9 -2,-0.6 -1,-0.1 0.672 82.5 65.9 -67.6 -20.9 20.5 -17.6 -15.5 49 98 A W > + 0 0 118 224,-0.2 3,-1.7 1,-0.2 -1,-0.2 -0.713 56.0 172.5-109.8 84.9 22.9 -20.5 -15.0 50 99 A Q T 3 S+ 0 0 39 -2,-0.9 5,-0.2 1,-0.3 -1,-0.2 0.572 70.4 73.6 -64.9 -13.4 23.7 -21.7 -18.5 51 100 A K T 3 S+ 0 0 205 4,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.716 72.3 108.1 -75.3 -19.3 26.3 -24.1 -17.1 52 101 A N S X S- 0 0 59 -3,-1.7 3,-2.0 1,-0.1 0, 0.0 -0.323 90.0 -85.6 -58.8 139.3 23.5 -26.3 -15.8 53 102 A Q T 3 S- 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.151 107.5 -1.5 -49.7 131.7 23.2 -29.5 -17.9 54 103 A D T 3> S+ 0 0 10 -3,-0.1 4,-1.6 1,-0.1 -1,-0.3 0.555 97.5 116.1 63.9 11.4 21.0 -29.2 -21.0 55 104 A I H <> S+ 0 0 0 -3,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.924 72.1 50.5 -76.5 -45.2 20.2 -25.5 -20.3 56 105 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 110.9 53.2 -58.7 -37.8 21.9 -24.0 -23.3 57 106 A Q H >>S+ 0 0 67 2,-0.2 5,-2.7 1,-0.2 4,-0.8 0.949 113.4 39.6 -60.4 -53.6 19.9 -26.6 -25.4 58 107 A L H <5S+ 0 0 0 -4,-1.6 3,-0.3 3,-0.2 -1,-0.2 0.850 115.6 54.2 -65.9 -34.6 16.5 -25.7 -24.0 59 108 A T H <5S+ 0 0 0 -4,-2.8 409,-0.3 1,-0.2 408,-0.3 0.894 119.3 31.3 -66.2 -41.4 17.4 -22.0 -24.0 60 109 A S H <5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.327 107.3-115.2-101.2 6.2 18.4 -21.9 -27.7 61 110 A I T <5S+ 0 0 1 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.965 81.1 121.7 57.3 52.6 16.0 -24.6 -29.0 62 111 A S < + 0 0 56 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 -0.018 31.2 135.4-135.5 31.2 18.9 -26.8 -29.9 63 112 A W - 0 0 1 -6,-0.5 -9,-0.0 416,-0.1 0, 0.0 -0.203 35.5-154.7 -75.3 170.9 18.3 -30.0 -27.9 64 113 A S > - 0 0 49 437,-0.1 3,-2.6 419,-0.1 6,-0.2 -0.819 40.6 -81.8-137.4 175.5 18.7 -33.5 -29.3 65 114 A P T 3 S+ 0 0 16 0, 0.0 421,-2.9 0, 0.0 422,-0.4 0.674 126.3 61.1 -56.8 -16.8 17.2 -36.9 -28.4 66 115 A S T 3 S+ 0 0 75 419,-0.2 2,-0.1 420,-0.1 5,-0.0 0.368 74.2 138.5 -91.3 5.4 19.8 -37.3 -25.6 67 116 A S <> - 0 0 1 -3,-2.6 4,-1.8 1,-0.2 5,-0.1 -0.299 44.9-155.0 -53.8 121.0 18.3 -34.2 -23.9 68 117 A Q H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 93.8 50.5 -66.7 -40.2 18.2 -34.9 -20.2 69 118 A R H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.799 109.4 51.6 -70.2 -26.3 15.4 -32.4 -19.6 70 119 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 109.9 49.7 -74.8 -38.7 13.3 -33.9 -22.4 71 120 A E H X S+ 0 0 72 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.902 108.1 55.2 -65.5 -39.7 13.8 -37.3 -20.8 72 121 A W H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 112.4 39.4 -59.7 -48.8 12.7 -35.9 -17.4 73 122 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -40,-0.2 5,-0.2 0.883 117.1 51.3 -70.3 -36.5 9.4 -34.6 -18.7 74 123 A Y H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.932 114.9 41.4 -63.9 -48.4 8.8 -37.6 -20.9 75 124 A V H X S+ 0 0 80 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.864 114.4 52.2 -69.0 -38.0 9.5 -40.1 -18.1 76 125 A R H X S+ 0 0 34 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.932 109.7 47.9 -65.6 -46.0 7.5 -38.0 -15.5 77 126 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.904 114.4 48.0 -61.2 -40.3 4.4 -37.8 -17.7 78 127 A G H X S+ 0 0 19 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.896 110.0 50.7 -67.7 -41.9 4.6 -41.5 -18.3 79 128 A Y H X S+ 0 0 108 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.923 109.0 51.5 -62.8 -44.8 5.1 -42.5 -14.7 80 129 A D H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.913 109.4 50.8 -58.2 -43.8 2.1 -40.4 -13.6 81 130 A I H X S+ 0 0 5 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.868 105.4 55.1 -64.0 -37.2 -0.1 -42.1 -16.2 82 131 A T H X S+ 0 0 48 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.900 107.1 51.6 -63.3 -37.8 0.9 -45.6 -15.1 83 132 A Q H X S+ 0 0 34 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.892 111.4 46.6 -65.4 -38.2 -0.2 -44.6 -11.6 84 133 A Y H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.925 110.7 51.6 -68.4 -44.2 -3.6 -43.5 -13.0 85 134 A N H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 45,-0.5 0.864 108.4 53.8 -59.4 -34.8 -3.9 -46.7 -15.1 86 135 A F H X S+ 0 0 37 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.912 108.8 47.3 -65.4 -44.3 -3.2 -48.6 -11.9 87 136 A F H X S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.907 113.1 48.8 -63.7 -42.7 -6.0 -46.8 -10.0 88 137 A L H < S+ 0 0 4 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.851 111.3 49.6 -67.0 -35.3 -8.4 -47.4 -12.9 89 138 A D H >< S+ 0 0 46 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.913 111.3 49.0 -69.8 -41.9 -7.5 -51.1 -13.1 90 139 A Q H 3< S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.763 117.9 39.8 -69.1 -25.4 -8.0 -51.6 -9.4 91 140 A T T >< S+ 0 0 0 -4,-1.4 3,-1.9 -5,-0.2 -1,-0.2 0.286 83.9 135.6-105.9 9.0 -11.4 -49.9 -9.3 92 141 A E T < S+ 0 0 115 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.1 -0.345 72.6 17.7 -60.7 131.9 -12.6 -51.4 -12.6 93 142 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.249 89.1 132.9 92.0 -14.7 -16.2 -52.6 -12.4 94 143 A M < - 0 0 68 -3,-1.9 -1,-0.3 1,-0.1 -3,-0.0 -0.560 30.2-179.6 -73.4 130.8 -16.9 -50.6 -9.3 95 144 A T + 0 0 120 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.418 34.3 121.9-113.9 0.5 -20.2 -48.7 -9.7 96 145 A D S > S- 0 0 69 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.328 71.7-115.9 -65.1 150.0 -20.7 -46.8 -6.4 97 146 A A H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.846 111.9 54.9 -54.3 -40.4 -21.1 -43.1 -6.8 98 147 A E H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.961 110.8 43.4 -60.6 -53.3 -17.8 -42.3 -5.0 99 148 A T H > S+ 0 0 1 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.889 110.2 57.0 -61.0 -39.8 -15.6 -44.5 -7.1 100 149 A L H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.904 109.8 44.9 -59.4 -40.2 -17.4 -43.2 -10.3 101 150 A R H X S+ 0 0 75 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.942 114.2 49.1 -68.3 -45.6 -16.4 -39.7 -9.4 102 151 A Q H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.935 112.1 47.8 -58.1 -48.5 -12.9 -40.7 -8.5 103 152 A R H X S+ 0 0 32 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.896 110.0 53.4 -60.4 -41.0 -12.4 -42.6 -11.7 104 153 A A H X S+ 0 0 3 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.927 112.8 43.6 -60.1 -45.2 -13.8 -39.7 -13.7 105 154 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.862 112.4 51.4 -69.7 -36.5 -11.3 -37.3 -12.1 106 155 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.910 110.5 49.6 -67.1 -39.3 -8.4 -39.8 -12.5 107 156 A R H X S+ 0 0 43 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.828 108.7 54.1 -67.2 -29.7 -9.3 -40.1 -16.2 108 157 A F H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.962 109.6 46.2 -66.0 -50.6 -9.3 -36.3 -16.3 109 158 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.871 112.9 49.8 -58.7 -39.9 -5.8 -36.2 -14.9 110 159 A R H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.905 110.6 50.6 -65.6 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-78.5 156.8 -2.9 -2.7 11.7 825 371 B T H 3> S+ 0 0 30 1,-0.3 4,-2.7 2,-0.2 14,-0.3 0.868 122.3 57.0 -58.3 -33.4 -3.4 1.0 11.4 826 372 B E H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.836 106.7 48.7 -66.6 -29.6 -5.0 0.4 8.0 827 373 B D H <> S+ 0 0 24 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.826 109.1 53.7 -75.2 -32.8 -7.4 -1.9 9.7 828 374 B M H X S+ 0 0 0 -4,-1.9 4,-2.4 11,-0.2 -2,-0.2 0.944 111.0 45.6 -63.4 -48.9 -8.1 0.8 12.3 829 375 B I H X>S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 5,-1.2 0.905 111.5 51.6 -61.4 -45.5 -8.8 3.3 9.5 830 376 B K H <5S+ 0 0 173 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.923 112.7 45.7 -59.3 -45.4 -11.1 0.8 7.7 831 377 B A H <5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.1 49.8 -66.8 -37.9 -13.1 0.2 10.9 832 378 B A H <5S- 0 0 21 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.735 97.0-140.1 -73.5 -22.1 -13.3 3.9 11.7 833 379 B G T <5S+ 0 0 14 -4,-1.7 91,-2.0 -5,-0.2 92,-0.5 0.872 71.1 100.8 62.9 35.1 -14.5 4.7 8.2 834 380 B D > < - 0 0 5 -5,-1.2 3,-1.6 89,-0.2 -1,-0.2 -0.932 68.6-145.7-154.2 124.7 -12.3 7.8 8.4 835 381 B D T 3 S+ 0 0 44 86,-2.5 87,-0.1 -2,-0.3 -6,-0.1 0.725 99.2 65.0 -62.1 -21.9 -8.9 8.4 6.9 836 382 B R T 3 + 0 0 0 85,-0.2 2,-2.8 1,-0.2 -1,-0.3 0.557 68.3 100.3 -80.4 -8.1 -8.0 10.6 9.9 837 383 B A < + 0 0 0 -3,-1.6 2,-2.5 1,-0.1 -1,-0.2 -0.247 46.0 163.0 -75.1 55.1 -8.2 7.7 12.4 838 384 B L + 0 0 10 -2,-2.8 27,-2.2 -10,-0.1 28,-0.4 -0.406 25.4 132.1 -76.8 68.1 -4.4 7.4 12.3 839 385 B L E -J 864 0F 0 -2,-2.5 2,-0.4 -14,-0.3 25,-0.2 -0.810 46.7-143.3-119.6 159.7 -4.1 5.3 15.5 840 386 B Y E +J 863 0F 3 23,-2.5 23,-2.2 -2,-0.3 -16,-0.1 -0.971 28.2 159.2-130.9 121.0 -2.3 2.1 16.4 841 387 B S + 0 0 4 -18,-0.5 -44,-0.4 -2,-0.4 7,-0.4 0.147 44.9 123.4-118.0 13.2 -3.6 -0.6 18.6 842 388 B G S S- 0 0 1 -19,-0.2 6,-0.1 1,-0.1 21,-0.1 -0.052 76.1-104.4 -70.0 177.0 -1.2 -3.2 17.3 843 389 B V S > S+ 0 0 7 -29,-0.3 3,-2.7 4,-0.1 2,-0.5 0.562 81.0 116.4 -81.2 -10.5 1.3 -5.3 19.2 844 390 B G T 3 S+ 0 0 1 1,-0.3 -79,-0.2 -30,-0.1 -80,-0.1 -0.469 90.5 11.9 -62.3 114.5 4.3 -3.4 18.1 845 391 B G T 3 S- 0 0 31 -2,-0.5 -1,-0.3 -81,-0.2 2,-0.1 0.364 132.1 -63.8 98.4 -5.5 5.6 -1.9 21.3 846 392 B G S < S- 0 0 26 -3,-2.7 2,-0.2 -82,-0.1 -82,-0.0 -0.404 76.3 -37.7 116.8 167.2 3.4 -4.0 23.6 847 393 B R - 0 0 101 -2,-0.1 2,-0.3 -44,-0.1 -4,-0.1 -0.473 63.0-150.9 -66.6 128.4 -0.2 -4.7 24.4 848 394 B R - 0 0 11 -7,-0.4 2,-0.3 -2,-0.2 12,-0.2 -0.726 9.3-151.2-107.1 154.3 -2.2 -1.5 24.4 849 395 B K - 0 0 85 10,-1.9 3,-0.1 -2,-0.3 0, 0.0 -0.741 11.6-149.5-111.7 163.5 -5.3 -0.3 26.3 850 396 B I S S+ 0 0 26 1,-0.4 2,-0.3 -2,-0.3 12,-0.3 0.791 89.9 17.3 -96.9 -43.1 -7.8 2.2 25.1 851 397 B Q S S- 0 0 72 10,-0.1 -1,-0.4 -71,-0.1 2,-0.3 -0.957 73.3-158.0-129.9 145.5 -8.6 3.4 28.6 852 398 B T - 0 0 5 -2,-0.3 3,-0.1 121,-0.1 -71,-0.1 -0.916 21.4-146.6-125.4 152.4 -6.6 3.0 31.8 853 399 B D S S+ 0 0 114 -2,-0.3 2,-0.3 1,-0.3 120,-0.1 0.355 95.4 22.9 -94.5 3.7 -7.5 3.1 35.5 854 400 B A S S- 0 0 46 6,-0.1 2,-1.4 119,-0.1 -1,-0.3 -0.856 82.1-119.9-168.0 130.1 -4.0 4.5 36.2 855 401 B I + 0 0 38 -2,-0.3 -302,-0.2 1,-0.2 3,-0.1 -0.617 56.1 142.5 -77.6 95.2 -1.6 6.4 34.0 856 402 B S - 0 0 90 -2,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.755 58.4 -16.3-105.9 -33.9 1.4 4.0 34.3 857 403 B G S > S- 0 0 20 -3,-0.3 3,-1.9 -305,-0.1 -1,-0.3 -0.977 71.0 -79.4-163.5 176.9 3.0 4.0 30.8 858 404 B F G > S+ 0 0 14 -2,-0.3 3,-0.7 1,-0.3 -309,-0.1 0.783 118.7 57.2 -54.8 -35.3 3.0 4.7 27.1 859 405 B T G 3 S+ 0 0 43 1,-0.2 -10,-1.9 -14,-0.1 -1,-0.3 0.386 77.1 95.2 -82.4 6.2 0.9 1.7 26.2 860 406 B D G < S+ 0 0 8 -3,-1.9 2,-0.3 -12,-0.2 -1,-0.2 0.406 95.8 23.7 -76.3 4.7 -1.9 2.7 28.5 861 407 B G S < S- 0 0 0 -3,-0.7 -11,-0.2 -10,-0.1 -12,-0.2 -0.957 101.5 -75.2-157.4 167.1 -3.6 4.3 25.5 862 408 B L - 0 0 0 -83,-0.4 -83,-2.5 -12,-0.3 2,-0.3 -0.327 50.2-113.5 -68.6 152.9 -3.6 3.9 21.7 863 409 B S E -IJ 778 840F 0 -23,-2.2 -23,-2.5 -85,-0.2 2,-0.6 -0.637 20.5-134.3 -87.5 147.0 -0.6 5.3 19.8 864 410 B I E + J 0 839F 1 -87,-0.5 3,-0.2 -2,-0.3 -25,-0.2 -0.903 25.9 173.0-104.5 113.8 -1.1 8.2 17.5 865 411 B V + 0 0 18 -27,-2.2 -26,-0.2 -2,-0.6 -1,-0.1 0.026 42.7 116.0-108.5 27.1 0.7 7.8 14.1 866 412 B K + 0 0 0 -28,-0.4 2,-0.4 -110,-0.1 -144,-0.2 0.914 68.9 59.5 -59.2 -48.0 -0.7 10.9 12.5 867 413 B W S S+ 0 0 1 -111,-0.3 2,-0.3 -3,-0.2 -144,-0.2 -0.707 73.7 177.9 -86.8 135.5 2.7 12.5 12.1 868 414 B Q - 0 0 36 -146,-2.6 -99,-0.1 -2,-0.4 17,-0.1 -0.973 37.9-145.5-139.4 153.5 5.2 10.6 10.1 869 415 B N S S+ 0 0 3 -2,-0.3 2,-0.4 -101,-0.2 8,-0.1 -0.346 72.1 101.8-109.8 48.5 8.8 10.9 8.8 870 416 B Y S S- 0 0 43 6,-0.1 -146,-1.4 -102,-0.0 -145,-0.5 -0.976 70.9-124.2-128.3 142.1 8.0 9.0 5.5 871 417 B R > - 0 0 29 4,-0.6 3,-1.7 -2,-0.4 -2,-0.1 -0.672 12.3-133.5 -87.7 143.3 7.5 10.8 2.2 872 418 B S T 3 S+ 0 0 46 -2,-0.3 -1,-0.1 1,-0.3 -152,-0.0 0.751 109.8 55.0 -65.8 -24.5 4.3 10.1 0.2 873 419 B D T 3 S- 0 0 39 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.319 112.9-122.4 -90.5 8.5 6.4 9.6 -2.9 874 420 B G < + 0 0 25 -3,-1.7 -558,-0.3 1,-0.2 -557,-0.2 0.459 63.6 141.4 67.8 1.6 8.4 7.0 -1.1 875 421 B K - 0 0 77 -559,-0.2 -4,-0.6 1,-0.1 -1,-0.2 -0.263 60.0 -81.0 -72.4 163.1 11.7 8.8 -1.6 876 422 B P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.284 38.5-134.3 -64.3 145.9 14.5 8.9 1.1 877 423 B V - 0 0 43 -8,-0.1 -152,-0.0 -3,-0.1 -8,-0.0 -0.549 24.5-112.2 -92.3 166.1 14.2 11.4 3.9 878 424 B S S S+ 0 0 53 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.768 91.7 31.6 -72.4 -26.9 17.4 13.4 4.8 879 425 B H - 0 0 52 3,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.972 59.4-141.8-139.2 151.7 18.0 11.9 8.3 880 426 B A S S+ 0 0 66 -2,-0.3 -109,-0.8 -110,-0.1 -1,-0.1 0.673 103.9 21.1 -80.1 -19.8 17.6 8.6 10.1 881 427 B T S S+ 0 0 34 -111,-0.2 -109,-0.2 1,-0.2 -123,-0.1 0.775 113.5 59.6-114.2 -54.5 16.6 10.2 13.4 882 428 B Y S S- 0 0 41 -138,-0.3 -3,-0.3 -112,-0.1 -1,-0.2 -0.680 82.1-123.1 -85.3 131.4 15.3 13.8 12.9 883 429 B P - 0 0 1 0, 0.0 -130,-0.1 0, 0.0 -129,-0.1 -0.294 9.1-151.4 -73.3 153.2 12.2 14.2 10.7 884 430 B D + 0 0 12 -141,-0.3 -142,-0.5 -5,-0.1 -15,-0.1 0.557 59.5 124.6 -93.5 -15.0 11.9 16.3 7.5 885 431 B T - 0 0 0 -17,-0.1 -132,-0.2 -163,-0.1 -161,-0.2 -0.235 55.4-141.4 -53.2 123.9 8.2 16.7 8.2 886 432 B D - 0 0 0 -163,-0.5 -145,-0.2 -145,-0.1 -160,-0.1 -0.482 17.3-118.5 -81.8 156.6 7.1 20.4 8.4 887 433 B I E -M 740 0I 2 -147,-2.0 2,-2.3 -2,-0.1 -147,-2.2 -0.884 18.3-146.7 -98.7 110.7 4.5 21.4 10.9 888 434 B P E +M 739 0I 1 0, 0.0 -151,-0.1 0, 0.0 -1,-0.0 -0.487 26.3 172.9 -77.5 75.7 1.5 22.7 9.0 889 435 B L E + 0 0 19 -2,-2.3 2,-0.5 -151,-0.5 -153,-0.0 0.900 69.0 37.9 -49.6 -49.5 0.6 25.3 11.6 890 436 B F E S+M 738 0I 0 -152,-1.9 -152,-1.7 -3,-0.2 -153,-1.0 -0.933 74.2 175.9-110.0 124.5 -2.1 26.9 9.4 891 437 B R E >> -M 736 0I 0 -2,-0.5 3,-2.0 -155,-0.2 4,-0.5 -0.962 40.6-123.2-128.3 146.2 -4.3 24.6 7.2 892 438 B L H >> S+ 0 0 0 -157,-1.9 3,-1.8 -2,-0.3 4,-1.1 0.843 107.1 73.5 -53.1 -35.7 -7.2 25.5 4.9 893 439 B A H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.802 86.7 62.5 -50.2 -32.7 -9.2 22.9 6.9 894 440 B E H <> S+ 0 0 1 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.857 98.8 55.6 -63.5 -33.3 -9.4 25.4 9.8 895 441 B A H <>S+ 0 0 27 -4,-2.9 5,-2.5 1,-0.2 3,-1.0 0.936 112.9 51.4 -62.1 -46.7 -22.6 29.5 10.5 904 450 B F H ><5S+ 0 0 56 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.898 109.0 49.0 -56.9 -46.7 -24.0 27.0 13.0 905 451 B R H 3<5S+ 0 0 72 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 107.3 57.8 -71.3 -11.3 -23.9 29.5 15.9 906 452 B Q T <<5S- 0 0 94 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.416 123.5-103.8 -95.9 -1.3 -25.7 32.0 13.7 907 453 B G T < 5S+ 0 0 71 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.457 81.5 123.4 93.5 3.0 -28.6 29.7 13.1 908 454 B G S + 0 0 1 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.236 49.3 103.1-100.2 13.4 -23.2 24.2 8.4 911 457 B T H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 77.1 58.2 -62.8 -37.4 -23.5 20.7 7.0 912 458 B G H > S+ 0 0 43 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.945 108.4 42.2 -58.6 -51.6 -21.9 21.7 3.8 913 459 B D H > S+ 0 0 14 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.911 116.5 48.9 -64.5 -41.3 -18.6 22.9 5.3 914 460 B I H >X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 3,-0.7 0.935 111.3 48.4 -63.9 -47.4 -18.4 20.0 7.7 915 461 B N H 3X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.723 99.5 67.6 -67.3 -19.7 -19.0 17.4 5.1 916 462 B E H 3X S+ 0 0 71 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.914 107.6 40.2 -64.7 -38.6 -16.4 19.0 2.9 917 463 B L H S+ 0 0 7 -4,-1.8 5,-3.0 2,-0.2 -2,-0.2 0.836 110.1 50.7 -70.2 -32.4 -15.5 14.5 6.0 919 465 B K H ><5S+ 0 0 110 -4,-2.7 3,-2.0 3,-0.2 -1,-0.2 0.914 107.2 53.6 -69.9 -42.1 -15.6 13.9 2.2 920 466 B R H 3<5S+ 0 0 19 -4,-1.5 -202,-0.4 1,-0.3 -2,-0.2 0.883 110.3 47.9 -58.9 -37.4 -11.9 14.7 2.0 921 467 B A T 3<5S- 0 0 0 -4,-1.6 -86,-2.5 -204,-0.1 -1,-0.3 0.293 113.8-121.6 -85.6 9.5 -11.3 12.1 4.7 922 468 B N T < 5 - 0 0 103 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.896 42.8-172.7 50.8 45.4 -13.5 9.6 2.8 923 469 B C < - 0 0 6 -5,-3.0 -89,-0.2 1,-0.2 -1,-0.2 -0.465 26.8-151.2 -71.1 138.8 -15.8 9.2 5.8 924 470 B T S S+ 0 0 121 -91,-2.0 2,-0.5 -92,-0.2 -1,-0.2 0.814 84.8 65.1 -76.8 -30.6 -18.4 6.6 5.6 925 471 B R - 0 0 109 -92,-0.5 2,-0.3 -7,-0.1 -2,-0.1 -0.811 69.7-164.9 -98.6 128.7 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