==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-09 2WSP . COMPND 2 MOLECULE: ALPHA-L-FUCOSIDASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR G.SULZENBACHER,A.LIPSKI,B.COBUCCI-PONZANO,F.CONTE,E.BEDINI, . 869 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.9 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 67 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 7 0 4 0 0 1 2 4 1 2 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 2 2 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 PARALLEL BRIDGES PER LADDER . 7 2 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 4 1 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 5 A K 0 0 259 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.9 30.5 -8.2 53.6 2 6 A P - 0 0 100 0, 0.0 238,-0.1 0, 0.0 239,-0.0 -0.854 360.0-177.5 -88.2 120.1 26.7 -8.3 53.6 3 7 A R + 0 0 99 -2,-0.7 2,-0.3 233,-0.1 233,-0.0 0.909 53.0 70.3 -85.6 -45.7 25.9 -10.4 50.5 4 8 A Y - 0 0 20 232,-0.2 7,-0.1 231,-0.1 236,-0.1 -0.586 62.4-157.0 -88.4 134.8 22.1 -10.4 50.3 5 9 A K - 0 0 124 -2,-0.3 2,-1.9 2,-0.2 5,-0.0 -0.736 32.3-102.5-102.5 154.1 20.1 -7.4 49.4 6 10 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 227,-0.2 -0.412 87.6 89.0 -79.0 63.9 16.3 -6.8 50.3 7 11 A D S > S- 0 0 63 -2,-1.9 4,-2.1 225,-0.2 3,-0.5 -0.965 81.0-117.4-152.3 152.9 14.7 -7.6 46.9 8 12 A W H > S+ 0 0 31 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.835 112.4 56.2 -59.9 -38.0 13.5 -10.9 45.4 9 13 A E H 4 S+ 0 0 43 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.911 112.9 42.6 -59.8 -42.7 15.9 -10.9 42.5 10 14 A S H >4 S+ 0 0 2 -3,-0.5 3,-0.9 1,-0.2 -2,-0.2 0.825 109.4 56.7 -72.0 -33.9 18.8 -10.7 45.0 11 15 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.694 90.2 73.4 -76.5 -17.1 17.3 -13.2 47.4 12 16 A R T 3< S+ 0 0 19 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.784 81.1 74.0 -61.0 -29.3 17.2 -15.9 44.7 13 17 A E T < S+ 0 0 16 -3,-0.9 2,-1.0 -4,-0.4 -1,-0.3 0.792 78.7 85.0 -53.5 -31.0 20.9 -16.1 45.0 14 18 A H < - 0 0 4 -3,-1.3 2,-0.2 -4,-0.2 242,-0.1 -0.686 66.3-176.4 -79.6 103.9 20.3 -18.0 48.3 15 19 A T - 0 0 58 -2,-1.0 242,-0.1 1,-0.2 3,-0.1 -0.507 43.4 -67.1 -91.5 165.7 19.8 -21.6 47.3 16 20 A V - 0 0 40 241,-0.3 -1,-0.2 -2,-0.2 2,-0.1 -0.274 61.2-109.8 -52.9 130.6 18.9 -24.4 49.7 17 21 A P >> - 0 0 12 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.415 19.5-123.6 -68.3 142.7 21.8 -25.0 52.1 18 22 A K H 3> S+ 0 0 152 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.866 107.9 62.2 -51.7 -44.3 23.7 -28.3 51.6 19 23 A W H 3> S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.852 106.0 46.8 -53.2 -38.9 23.1 -29.4 55.2 20 24 A F H <> S+ 0 0 0 -3,-1.0 4,-1.1 2,-0.2 3,-0.3 0.927 111.9 48.4 -70.6 -47.6 19.4 -29.4 54.6 21 25 A D H < S+ 0 0 60 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.3 42.5 -58.6 -39.0 19.6 -31.3 51.3 22 26 A K H < S+ 0 0 122 -4,-2.9 325,-1.8 -5,-0.2 -1,-0.2 0.677 100.7 72.2 -78.5 -20.9 21.9 -33.9 53.0 23 27 A A H < + 0 0 6 -4,-1.2 2,-1.6 -5,-0.3 -2,-0.2 0.892 64.4 176.6 -69.9 -43.5 19.9 -34.1 56.2 24 28 A K < + 0 0 3 -4,-1.1 287,-2.3 -3,-0.1 2,-0.4 -0.045 58.2 52.4 74.7 -36.4 17.0 -36.0 54.7 25 29 A F E +a 311 0A 0 -2,-1.6 91,-3.1 285,-0.2 92,-0.6 -0.982 59.3 165.0-144.6 123.1 15.0 -36.5 57.9 26 30 A G E -ab 312 117A 0 285,-3.0 287,-2.2 -2,-0.4 2,-0.5 -0.883 30.3-119.0-133.2 164.4 13.8 -34.0 60.5 27 31 A I E -ab 313 118A 0 90,-3.1 92,-2.7 -2,-0.3 2,-0.3 -0.917 16.4-158.0-110.5 130.8 11.4 -33.8 63.5 28 32 A F E -ab 314 119A 3 285,-2.8 287,-2.7 -2,-0.5 2,-0.4 -0.793 9.0-158.1 -95.2 143.5 8.5 -31.5 63.7 29 33 A I E -ab 315 120A 0 90,-2.7 92,-2.6 -2,-0.3 2,-0.9 -0.915 11.4-173.8-128.3 110.5 7.1 -30.7 67.2 30 34 A H + 0 0 7 285,-1.5 252,-0.4 250,-0.5 2,-0.4 -0.873 28.2 152.3 -95.3 104.1 3.5 -29.4 67.7 31 35 A W + 0 0 7 -2,-0.9 2,-0.2 90,-0.2 287,-0.1 -0.982 10.4 119.2-140.2 119.1 3.4 -28.7 71.4 32 36 A G S > S- 0 0 2 -2,-0.4 3,-0.8 285,-0.3 4,-0.3 -0.772 77.8 -66.4-153.4-160.9 1.2 -26.1 73.0 33 37 A I G > S+ 0 0 0 1,-0.2 3,-1.3 -2,-0.2 5,-0.2 0.751 124.5 69.7 -74.3 -24.6 -1.6 -25.5 75.5 34 38 A Y G 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 5,-0.4 0.686 86.1 69.6 -60.0 -21.1 -3.8 -27.4 73.1 35 39 A S G <4 S+ 0 0 1 -3,-0.8 284,-0.7 2,-0.2 -1,-0.2 0.806 86.1 67.0 -66.5 -31.0 -1.7 -30.4 74.2 36 40 A V T <4 S+ 0 0 22 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.963 111.8 30.0 -59.5 -57.7 -3.3 -30.3 77.7 37 41 A P T 4 S- 0 0 0 0, 0.0 247,-0.2 0, 0.0 -1,-0.2 0.886 89.8-177.5 -65.5 -34.9 -6.8 -31.3 76.5 38 42 A G < + 0 0 0 -4,-1.8 246,-2.7 -5,-0.2 2,-0.4 0.869 29.2 137.7 39.9 60.1 -5.0 -33.2 73.7 39 43 A W + 0 0 31 -5,-0.4 2,-0.3 22,-0.3 -1,-0.2 -0.996 18.7 142.8-142.4 137.5 -8.2 -34.3 72.1 40 44 A A - 0 0 1 -2,-0.4 245,-0.3 22,-0.0 21,-0.1 -0.947 52.2 -99.9-164.0 153.5 -9.6 -34.7 68.6 41 45 A T - 0 0 21 17,-0.6 2,-2.4 -2,-0.3 3,-0.3 -0.718 36.8-136.4 -74.3 115.2 -11.9 -37.0 66.6 42 46 A P + 0 0 35 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.370 45.9 153.2 -75.4 67.8 -9.5 -39.2 64.6 43 47 A T - 0 0 66 -2,-2.4 2,-0.3 14,-0.3 15,-0.1 0.946 50.5 -92.3 -64.2 -56.5 -11.5 -38.9 61.3 44 48 A G - 0 0 13 -3,-0.3 2,-0.2 234,-0.1 -1,-0.2 -0.946 45.7 -49.9 173.4-154.8 -8.7 -39.4 58.7 45 49 A E - 0 0 108 -2,-0.3 2,-0.2 2,-0.2 233,-0.1 -0.624 64.3 -76.1-107.5 167.9 -6.2 -37.8 56.4 46 50 A L 0 0 38 -2,-0.2 -1,-0.1 216,-0.2 0, 0.0 -0.479 360.0 360.0 -60.1 130.8 -6.4 -35.0 53.9 47 51 A G 0 0 80 2,-0.5 -2,-0.2 -2,-0.2 216,-0.0 -0.386 360.0 360.0 75.8 360.0 -8.1 -36.3 50.7 48 ! 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 49 53 A V 0 0 32 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.4 -11.9 -36.9 54.8 50 54 A P >> - 0 0 89 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.365 360.0-146.6 -56.4 113.6 -14.7 -34.8 53.2 51 55 A M T 34 S+ 0 0 75 -2,-0.3 4,-0.4 1,-0.3 -5,-0.0 0.572 93.6 69.3 -64.6 -9.4 -13.4 -31.3 53.4 52 56 A D T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.860 111.7 29.4 -72.1 -38.1 -16.9 -30.0 53.9 53 57 A A T X> S+ 0 0 38 -3,-1.7 4,-2.0 1,-0.1 3,-0.9 0.531 93.8 102.4 -96.2 -9.2 -17.0 -31.6 57.4 54 58 A W T 3< S+ 0 0 8 -4,-1.0 3,-0.2 1,-0.3 -1,-0.1 0.830 84.5 41.1 -48.3 -50.8 -13.3 -31.3 58.1 55 59 A F T >4 S+ 0 0 8 127,-0.4 3,-0.6 -4,-0.4 -1,-0.3 0.775 115.4 52.4 -73.4 -24.9 -13.4 -28.3 60.5 56 60 A F T <4 S+ 0 0 30 -3,-0.9 19,-0.3 126,-0.3 -1,-0.2 0.755 124.9 26.5 -77.5 -29.4 -16.6 -29.6 62.2 57 61 A Q T 3< S- 0 0 88 -4,-2.0 -14,-0.3 -3,-0.2 -1,-0.2 -0.411 91.6-177.2-126.0 51.9 -14.9 -33.0 62.8 58 62 A N < - 0 0 2 -3,-0.6 -17,-0.6 1,-0.1 -3,-0.1 -0.356 21.1-166.3 -69.2 118.7 -11.3 -31.8 62.9 59 63 A P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.526 66.9 93.0 -77.8 -6.8 -8.6 -34.5 63.3 60 64 A Y > - 0 0 39 219,-0.2 3,-1.3 1,-0.1 -19,-0.1 -0.819 61.3-162.5 -90.5 112.5 -5.9 -31.9 64.1 61 65 A A G > S+ 0 0 0 -2,-0.7 3,-1.3 220,-0.5 -22,-0.3 0.689 86.2 67.8 -71.8 -20.0 -5.8 -31.5 67.9 62 66 A E G 3 S+ 0 0 4 1,-0.2 3,-0.5 219,-0.1 -1,-0.3 0.727 91.3 64.5 -67.7 -22.7 -3.9 -28.2 67.7 63 67 A W G X> + 0 0 15 -3,-1.3 4,-2.5 1,-0.2 3,-0.6 0.347 67.3 118.7 -80.3 6.0 -7.2 -26.8 66.1 64 68 A Y H <> S+ 0 0 2 -3,-1.3 4,-3.4 1,-0.3 -1,-0.2 0.826 72.3 50.0 -39.2 -51.9 -9.0 -27.4 69.5 65 69 A E H 3> S+ 0 0 12 -3,-0.5 4,-2.0 2,-0.2 -1,-0.3 0.919 111.3 48.3 -60.5 -45.0 -9.8 -23.7 70.0 66 70 A N H <> S+ 0 0 0 -3,-0.6 4,-0.6 1,-0.2 -2,-0.2 0.944 116.2 43.8 -58.3 -48.7 -11.2 -23.4 66.5 67 71 A S H >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 9,-0.4 0.858 110.2 56.6 -61.7 -38.1 -13.3 -26.5 67.0 68 72 A L H 3< S+ 0 0 22 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.844 101.2 57.8 -62.5 -34.4 -14.2 -25.3 70.5 69 73 A R H 3< S+ 0 0 52 -4,-2.0 2,-0.9 -5,-0.2 -1,-0.2 0.648 90.8 79.0 -72.9 -17.1 -15.6 -22.1 68.9 70 74 A I X< - 0 0 0 -3,-0.9 3,-1.5 -4,-0.6 6,-0.4 -0.854 68.7-164.1 -90.3 105.5 -18.0 -24.2 66.8 71 75 A K T 3 S+ 0 0 163 -2,-0.9 -1,-0.1 1,-0.3 6,-0.1 0.734 85.5 60.4 -62.9 -24.4 -20.7 -25.1 69.3 72 76 A E T 3 S+ 0 0 132 -3,-0.1 -1,-0.3 4,-0.1 -4,-0.1 0.716 87.8 104.2 -71.0 -22.6 -22.0 -27.9 67.1 73 77 A S S <> S- 0 0 5 -3,-1.5 4,-1.4 -6,-0.3 3,-0.4 -0.133 79.1-125.2 -73.6 155.8 -18.7 -29.7 67.2 74 78 A P H > S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.770 112.5 63.4 -60.2 -27.9 -17.8 -32.9 69.2 75 79 A T H > S+ 0 0 4 -19,-0.3 4,-2.2 2,-0.2 -7,-0.2 0.876 100.1 51.3 -63.8 -39.1 -14.9 -30.8 70.7 76 80 A W H > S+ 0 0 91 -6,-0.4 4,-2.3 -3,-0.4 5,-0.2 0.919 110.1 48.6 -65.9 -45.9 -17.5 -28.4 72.3 77 81 A E H X S+ 0 0 145 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.934 113.8 47.3 -53.1 -50.6 -19.3 -31.4 73.9 78 82 A Y H X S+ 0 0 46 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.850 111.8 50.4 -63.7 -37.2 -16.0 -32.8 75.2 79 83 A H H X>S+ 0 0 4 -4,-2.2 4,-3.6 2,-0.2 5,-1.1 0.938 113.1 43.6 -68.5 -49.5 -14.9 -29.5 76.5 80 84 A V H X5S+ 0 0 36 -4,-2.3 4,-0.8 3,-0.2 -2,-0.2 0.914 117.1 47.5 -60.3 -45.5 -18.1 -28.7 78.5 81 85 A K H <5S+ 0 0 176 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 124.1 31.6 -64.2 -36.7 -18.2 -32.3 79.8 82 86 A T H <5S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.823 140.5 10.0 -94.4 -37.0 -14.6 -32.3 80.8 83 87 A Y H <5S- 0 0 56 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.544 103.3-110.6-121.6 -15.2 -13.8 -28.7 81.8 84 88 A G ><< - 0 0 20 -5,-1.1 3,-1.2 -4,-0.8 -3,-0.1 0.016 28.0 -89.9 93.8 155.6 -17.2 -26.9 81.9 85 89 A E T 3 S+ 0 0 130 1,-0.2 -1,-0.1 -5,-0.2 -5,-0.1 0.755 124.0 62.7 -71.3 -25.0 -18.6 -24.2 79.7 86 90 A N T 3 S+ 0 0 146 -6,-0.1 2,-0.8 -3,-0.1 -1,-0.2 0.355 80.2 98.3 -82.8 5.3 -17.1 -21.5 81.9 87 91 A F < - 0 0 31 -3,-1.2 2,-0.2 -8,-0.1 -4,-0.1 -0.844 65.6-153.7 -96.9 103.8 -13.6 -22.8 81.1 88 92 A E > - 0 0 101 -2,-0.8 3,-1.9 1,-0.1 4,-0.3 -0.495 23.9-118.5 -75.9 144.9 -12.1 -20.5 78.3 89 93 A Y G > S+ 0 0 8 1,-0.3 3,-2.0 -2,-0.2 4,-0.3 0.852 111.1 67.8 -49.3 -41.1 -9.5 -22.0 76.0 90 94 A E G > S+ 0 0 83 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.778 86.3 69.0 -48.1 -34.7 -7.0 -19.3 77.2 91 95 A K G X> S+ 0 0 82 -3,-1.9 3,-2.0 1,-0.3 4,-0.7 0.653 76.7 79.3 -70.3 -15.5 -6.9 -21.0 80.7 92 96 A F H <> S+ 0 0 0 -3,-2.0 4,-1.4 -4,-0.3 3,-0.4 0.752 79.3 73.1 -59.6 -23.6 -5.1 -24.1 79.3 93 97 A A H <4 S+ 0 0 0 -3,-1.7 51,-1.9 -4,-0.3 -1,-0.3 0.735 97.1 47.9 -59.4 -25.0 -2.0 -21.8 79.6 94 98 A D H <4 S+ 0 0 69 -3,-2.0 -1,-0.2 49,-0.2 -2,-0.2 0.668 112.8 46.2 -91.2 -20.4 -2.2 -22.3 83.4 95 99 A L H < S+ 0 0 72 -4,-0.7 2,-1.7 -3,-0.4 3,-0.2 0.569 89.9 92.5 -89.4 -14.7 -2.6 -26.1 83.2 96 100 A F < + 0 0 0 -4,-1.4 -1,-0.1 1,-0.2 224,-0.1 -0.597 46.4 147.0 -84.3 82.7 0.2 -26.3 80.7 97 101 A T - 0 0 55 -2,-1.7 -1,-0.2 47,-0.2 223,-0.2 0.663 44.1-148.3 -97.7 -20.1 3.0 -26.9 83.2 98 102 A A > + 0 0 6 221,-1.6 3,-1.4 -3,-0.2 222,-0.2 0.891 34.1 165.8 48.3 43.7 5.4 -29.1 81.4 99 103 A E T 3 S+ 0 0 141 1,-0.3 222,-0.1 220,-0.1 -1,-0.1 0.822 70.7 36.7 -60.9 -36.6 6.2 -30.6 84.8 100 104 A K T 3 S+ 0 0 130 220,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.077 86.0 135.0-105.6 22.2 8.1 -33.7 83.4 101 105 A W < + 0 0 14 -3,-1.4 221,-0.1 219,-0.2 220,-0.1 -0.584 25.6 175.4 -75.8 126.5 9.8 -32.0 80.5 102 106 A D > - 0 0 65 219,-0.5 4,-1.4 -2,-0.4 3,-0.4 -0.931 13.9-164.2-125.6 108.8 13.4 -32.8 80.0 103 107 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.833 88.6 55.4 -62.2 -32.7 14.7 -31.1 76.8 104 108 A Q H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.825 102.3 56.0 -70.6 -32.6 17.8 -33.3 76.6 105 109 A E H > S+ 0 0 129 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.884 111.0 45.8 -62.0 -39.5 15.8 -36.5 76.7 106 110 A W H X S+ 0 0 8 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.956 112.1 49.1 -66.1 -54.0 13.9 -35.2 73.6 107 111 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.904 113.8 47.2 -52.6 -45.9 17.1 -34.1 71.8 108 112 A D H X S+ 0 0 73 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.898 111.1 52.3 -63.2 -40.8 18.6 -37.5 72.5 109 113 A L H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 110.9 46.2 -61.0 -45.4 15.4 -39.2 71.3 110 114 A F H <>S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 4,-0.2 0.832 112.2 52.6 -68.5 -32.5 15.4 -37.3 68.0 111 115 A K H ><5S+ 0 0 118 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.949 110.6 45.4 -64.1 -51.6 19.2 -38.1 67.6 112 116 A K H 3<5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.3 227,-0.2 0.822 105.3 62.7 -65.2 -30.0 18.7 -41.8 68.1 113 117 A A T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.581 119.9-110.6 -68.8 -10.4 15.7 -41.7 65.8 114 118 A G T < 5 + 0 0 8 -3,-1.7 -3,-0.2 1,-0.3 -89,-0.2 0.488 66.4 151.9 92.1 5.5 18.1 -40.6 63.0 115 119 A A < - 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0 0 36 240,-0.3 -1,-0.1 -2,-0.2 229,-0.1 -0.346 63.4-103.1 -59.0 128.2 19.2 -23.9 36.0 455 21 B P > - 0 0 12 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.140 20.2-123.1 -53.6 145.7 19.3 -26.9 33.6 456 22 B K H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.919 109.5 58.4 -53.0 -48.4 21.9 -29.6 34.2 457 23 B W H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 106.2 48.3 -53.7 -39.6 23.4 -29.2 30.7 458 24 B F H > S+ 0 0 0 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.924 109.5 49.6 -71.1 -47.4 24.2 -25.5 31.3 459 25 B D H < S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 120.3 40.3 -56.3 -36.3 25.9 -26.0 34.7 460 26 B K H < S+ 0 0 104 -4,-2.1 324,-1.4 -5,-0.2 325,-0.3 0.789 99.0 74.5 -80.8 -33.2 27.9 -28.7 33.0 461 27 B A H < + 0 0 7 -4,-2.4 2,-1.9 -5,-0.2 92,-0.2 0.862 64.3 175.2 -53.3 -46.1 28.5 -26.9 29.7 462 28 B K < + 0 0 3 -4,-1.1 286,-2.3 91,-0.1 2,-0.4 -0.042 56.9 53.2 69.8 -35.6 31.1 -24.5 31.2 463 29 B F E +t 748 0D 0 -2,-1.9 90,-3.3 284,-0.2 91,-0.6 -0.981 61.2 168.4-138.7 126.8 32.1 -22.8 27.9 464 30 B G E -tu 749 554D 0 284,-3.1 286,-2.4 -2,-0.4 2,-0.5 -0.891 29.1-120.1-131.7 162.3 29.9 -21.1 25.3 465 31 B I E -tu 750 555D 0 89,-2.7 91,-3.3 -2,-0.3 2,-0.3 -0.912 16.6-158.8-110.8 122.2 30.3 -18.8 22.3 466 32 B F E -tu 751 556D 4 284,-3.3 286,-3.1 -2,-0.5 2,-0.4 -0.738 7.3-161.7 -90.2 142.8 28.8 -15.3 22.0 467 33 B I E -tu 752 557D 1 89,-2.2 91,-2.8 -2,-0.3 2,-0.8 -0.880 8.7-173.0-131.9 101.5 28.3 -13.9 18.5 468 34 B H + 0 0 9 284,-1.6 2,-0.4 -2,-0.4 251,-0.3 -0.850 27.9 151.2 -89.6 109.8 27.8 -10.2 18.1 469 35 B W + 0 0 7 -2,-0.8 2,-0.2 89,-0.2 286,-0.1 -0.957 8.6 118.2-148.7 117.2 27.1 -9.8 14.4 470 36 B G S > S- 0 0 2 -2,-0.4 3,-1.6 284,-0.2 4,-0.2 -0.829 78.0 -63.0-156.0-162.7 25.0 -7.2 12.7 471 37 B I G > S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.2 5,-0.1 0.734 124.0 70.2 -70.7 -21.6 25.0 -4.3 10.2 472 38 B Y G 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.702 83.1 73.7 -61.4 -22.9 27.5 -2.6 12.5 473 39 B S G <4 S+ 0 0 0 -3,-1.6 283,-0.9 2,-0.2 -1,-0.3 0.685 85.0 67.3 -64.8 -19.9 29.9 -5.3 11.4 474 40 B V T <4 S+ 0 0 23 -3,-1.5 282,-0.2 -4,-0.2 -2,-0.2 0.999 109.3 30.6 -67.7 -65.6 30.3 -3.6 8.0 475 41 B P T 4 S- 0 0 0 0, 0.0 246,-0.2 0, 0.0 -2,-0.2 0.895 87.0-176.6 -59.4 -34.5 32.1 -0.4 9.2 476 42 B G < + 0 0 0 -4,-1.9 245,-3.4 1,-0.2 2,-0.4 0.839 29.2 140.1 41.7 51.3 33.6 -2.6 11.9 477 43 B W + 0 0 28 -5,-0.3 2,-0.3 21,-0.3 -1,-0.2 -0.979 16.1 143.4-131.2 135.5 35.3 0.4 13.5 478 44 B A - 0 0 2 -2,-0.4 244,-0.3 21,-0.0 20,-0.1 -0.935 50.1-107.5-163.6 146.5 36.0 1.6 17.1 479 45 B T - 0 0 32 16,-0.5 2,-2.5 -2,-0.3 3,-0.2 -0.698 33.2-134.5 -74.3 116.8 38.7 3.3 19.0 480 46 B P + 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.392 42.3 160.8 -75.4 72.0 40.3 0.6 21.2 481 47 B T - 0 0 48 -2,-2.5 2,-0.3 13,-0.4 14,-0.1 0.843 49.5 -95.1 -65.4 -38.9 40.3 2.7 24.4 482 48 B G - 0 0 16 -3,-0.2 -1,-0.2 233,-0.1 2,-0.1 -0.977 53.7 -31.2 153.1-162.7 40.6 -0.1 26.9 483 49 B E 0 0 111 -2,-0.3 232,-0.1 1,-0.2 233,-0.0 -0.414 360.0 360.0 -89.6 162.3 38.7 -2.4 29.2 484 50 B L 0 0 56 215,-0.2 -1,-0.2 -2,-0.1 216,-0.1 0.322 360.0 360.0 -76.5 360.0 35.4 -1.9 31.1 485 ! 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 0.0 486 53 B V 0 0 64 0, 0.0 5,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 112.7 38.6 3.7 31.3 487 54 B P > - 0 0 91 0, 0.0 4,-1.2 0, 0.0 3,-0.3 -0.371 360.0-132.5 -60.0 133.5 36.7 6.4 33.2 488 55 B M H > S+ 0 0 82 1,-0.2 4,-0.6 2,-0.2 -4,-0.0 0.640 98.7 61.8 -72.0 -18.0 33.0 5.9 32.5 489 56 B D H 4 S+ 0 0 93 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.968 111.5 38.0 -67.8 -51.7 32.1 9.5 31.6 490 57 B A H >> S+ 0 0 23 -3,-0.3 4,-1.7 1,-0.2 3,-1.2 0.704 96.9 91.7 -69.5 -21.3 34.5 9.5 28.6 491 58 B W H >< S+ 0 0 6 -4,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.869 85.9 43.4 -39.5 -62.2 33.5 5.9 27.8 492 59 B F G >< S+ 0 0 9 -4,-0.6 3,-0.5 -3,-0.4 -1,-0.3 0.683 112.5 54.5 -66.8 -19.3 30.6 6.6 25.4 493 60 B F G <4 S+ 0 0 35 -3,-1.2 19,-0.3 -4,-0.3 -1,-0.3 0.751 123.2 26.9 -82.3 -28.7 32.6 9.4 23.6 494 61 B Q G << S- 0 0 92 -4,-1.7 -13,-0.4 -3,-0.7 -1,-0.2 -0.387 91.5-176.4-123.2 51.6 35.5 7.0 22.9 495 62 B N < - 0 0 1 -3,-0.5 -16,-0.5 1,-0.2 -3,-0.1 -0.315 18.4-164.8 -64.0 118.6 33.4 3.8 22.9 496 63 B P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.678 65.8 94.1 -73.9 -18.8 35.6 0.7 22.5 497 64 B Y > - 0 0 39 219,-0.2 3,-1.0 1,-0.2 219,-0.1 -0.672 62.2-160.0 -78.9 116.2 32.5 -1.5 21.6 498 65 B A G > S+ 0 0 1 -2,-0.6 3,-1.0 220,-0.4 -21,-0.3 0.679 87.4 66.9 -71.2 -19.0 32.2 -1.5 17.8 499 66 B E G > S+ 0 0 3 1,-0.2 3,-0.5 219,-0.1 -1,-0.2 0.742 89.2 66.6 -70.4 -24.6 28.5 -2.6 18.0 500 67 B W G <> + 0 0 15 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.214 66.2 121.4 -79.8 15.7 27.8 0.9 19.5 501 68 B Y H <> S+ 0 0 1 -3,-1.0 4,-3.0 1,-0.2 -1,-0.2 0.854 71.8 48.3 -46.0 -48.5 28.7 2.4 16.1 502 69 B E H <> S+ 0 0 10 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.906 111.4 49.4 -65.3 -43.9 25.3 4.1 15.7 503 70 B N H > S+ 0 0 0 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.925 114.5 45.6 -57.9 -46.7 25.3 5.6 19.2 504 71 B S H >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.2 6,-0.4 0.896 110.4 53.7 -63.6 -42.8 28.8 6.9 18.6 505 72 B L H 3< S+ 0 0 26 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.842 102.8 58.0 -60.5 -35.2 27.9 8.2 15.2 506 73 B R H 3< S+ 0 0 59 -4,-2.0 2,-1.0 -5,-0.2 -1,-0.2 0.746 90.1 79.7 -68.5 -24.9 24.9 10.1 16.8 507 74 B I S X< S- 0 0 0 -4,-0.8 3,-1.6 -3,-0.7 6,-0.4 -0.789 71.3-163.8 -79.8 104.7 27.5 11.9 19.0 508 75 B K T 3 S+ 0 0 132 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.721 85.3 60.1 -66.4 -20.1 28.7 14.5 16.4 509 76 B E T 3 S+ 0 0 122 4,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.659 88.1 108.1 -75.9 -18.7 31.8 15.1 18.6 510 77 B S S <> S- 0 0 2 -3,-1.6 4,-1.6 -6,-0.4 3,-0.1 -0.073 77.4-124.7 -74.4 159.6 33.0 11.5 18.4 511 78 B P H > S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.810 114.1 60.5 -59.5 -35.3 35.9 9.8 16.6 512 79 B T H > S+ 0 0 5 -19,-0.3 4,-2.7 2,-0.2 -7,-0.2 0.844 102.7 50.7 -63.3 -35.1 33.3 7.6 15.0 513 80 B W H > S+ 0 0 64 -6,-0.4 4,-2.6 -9,-0.3 5,-0.3 0.933 110.7 48.5 -67.3 -46.1 31.7 10.7 13.4 514 81 B E H X S+ 0 0 111 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.949 115.9 44.1 -54.1 -52.0 35.1 11.8 12.1 515 82 B Y H X S+ 0 0 55 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.909 113.5 50.6 -60.5 -44.5 35.7 8.3 10.7 516 83 B H H X>S+ 0 0 4 -4,-2.7 4,-3.1 2,-0.2 5,-2.2 0.901 112.1 45.9 -64.6 -44.2 32.2 8.0 9.2 517 84 B V H <5S+ 0 0 41 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.937 117.7 42.9 -62.9 -47.9 32.3 11.3 7.4 518 85 B K H <5S+ 0 0 179 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.740 125.5 34.0 -74.2 -24.1 35.7 10.7 6.0 519 86 B T H <5S+ 0 0 63 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.790 140.9 5.1 -97.4 -36.7 35.0 7.1 5.0 520 87 B Y T <5S- 0 0 67 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.686 102.0-109.0-123.9 -34.9 31.3 7.1 4.1 521 88 B G > < - 0 0 22 -5,-2.2 3,-0.9 -6,-0.1 -3,-0.1 0.007 24.8 -90.1 111.2 146.9 30.0 10.7 4.2 522 89 B E T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.901 124.1 49.3 -52.8 -49.2 27.7 12.9 6.3 523 90 B N T 3 S+ 0 0 163 -6,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.654 83.7 104.1 -70.5 -17.4 24.5 12.0 4.3 524 91 B F < - 0 0 39 -3,-0.9 2,-0.1 -8,-0.1 -3,-0.1 -0.560 68.4-149.1 -66.3 99.7 25.3 8.3 4.5 525 92 B E > - 0 0 111 -2,-1.0 3,-1.4 1,-0.1 4,-0.2 -0.395 18.1-120.1 -76.7 150.1 22.8 7.2 7.2 526 93 B Y G > S+ 0 0 10 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.868 110.6 65.2 -56.6 -41.9 23.5 4.2 9.5 527 94 B E G > S+ 0 0 80 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.787 86.7 74.3 -48.7 -31.8 20.5 2.3 8.3 528 95 B K G <> S+ 0 0 80 -3,-1.4 4,-0.7 1,-0.3 3,-0.4 0.647 79.2 71.7 -62.2 -18.4 22.2 2.1 4.9 529 96 B F H <> S+ 0 0 0 -3,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.716 82.7 71.0 -71.3 -22.6 24.7 -0.5 6.2 530 97 B A H <4 S+ 0 0 0 -3,-1.8 51,-1.1 -4,-0.3 3,-0.4 0.909 99.1 47.5 -56.3 -43.7 21.8 -3.1 6.3 531 98 B D H 4 S+ 0 0 85 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.796 112.3 49.9 -68.4 -29.4 22.0 -3.1 2.4 532 99 B L H < S+ 0 0 74 -4,-0.7 2,-1.4 1,-0.1 -1,-0.2 0.610 87.8 90.5 -82.6 -15.7 25.8 -3.5 2.6 533 100 B F < + 0 0 0 -4,-1.2 -1,-0.1 -3,-0.4 224,-0.1 -0.656 45.9 148.4 -86.0 88.6 25.6 -6.4 5.0 534 101 B T - 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