==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-11 3TA9 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHERMOTHRIX ORENII; . AUTHOR A.HOFMANN,C.K.WANG,L.D.KORI,B.K.PATEL . 889 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 666 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.8 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 . 6 0.7 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 . 2 0.2 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 . 66 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.8 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 6 2 2 0 2 2 2 3 0 2 1 2 2 2 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 8 6 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 . 8 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 0 0 2 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 2 A A 0 0 119 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-138.2 -19.8 -37.2 -13.9 2 3 A K + 0 0 149 1,-0.2 447,-0.2 447,-0.2 0, 0.0 -0.792 360.0 67.4-132.8-177.3 -18.3 -35.2 -11.0 3 4 A I + 0 0 23 -2,-0.2 444,-0.5 1,-0.2 2,-0.5 0.980 65.8 162.0 58.7 62.5 -15.7 -32.4 -10.7 4 5 A I - 0 0 91 442,-0.2 -1,-0.2 -3,-0.1 442,-0.2 -0.974 27.7-142.2-113.3 127.7 -17.9 -30.0 -12.6 5 6 A F - 0 0 5 440,-2.0 4,-0.0 -2,-0.5 380,-0.0 -0.315 36.2 -71.6 -83.8 166.0 -17.1 -26.3 -12.2 6 7 A P > - 0 0 58 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 -0.231 48.5-120.9 -46.6 147.3 -19.4 -23.3 -12.0 7 8 A E T 3 S+ 0 0 175 1,-0.3 -2,-0.1 -3,-0.1 438,-0.0 0.824 111.6 43.3 -71.5 -28.3 -20.9 -22.8 -15.5 8 9 A D T 3 S+ 0 0 122 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.059 78.3 142.3-107.2 32.7 -19.5 -19.3 -15.7 9 10 A F < - 0 0 4 -3,-1.3 2,-1.2 1,-0.1 387,-0.2 -0.526 59.2-117.9 -61.8 136.5 -16.1 -20.2 -14.4 10 11 A I E -a 396 0A 18 385,-2.3 387,-2.1 -2,-0.2 2,-0.4 -0.710 34.3-173.7 -86.7 95.6 -13.6 -18.1 -16.4 11 12 A W E +a 397 0A 2 -2,-1.2 62,-2.1 385,-0.2 63,-0.9 -0.761 22.7 146.4 -84.1 134.4 -11.4 -20.5 -18.2 12 13 A G E -ab 398 74A 0 385,-2.4 387,-2.6 -2,-0.4 2,-0.3 -0.895 40.3-126.3-153.4 180.0 -8.6 -18.7 -20.0 13 14 A A E -ab 399 75A 0 61,-1.2 63,-2.9 385,-0.3 2,-0.3 -0.948 23.2-143.5-134.4 157.1 -5.0 -18.7 -21.2 14 15 A A E +ab 400 76A 0 385,-2.3 388,-1.5 -2,-0.3 387,-0.7 -0.913 19.8 164.1-128.2 148.3 -2.2 -16.1 -20.7 15 16 A T - 0 0 0 61,-2.7 2,-0.3 -2,-0.3 390,-0.0 -0.767 26.9-123.6-137.7-170.3 0.7 -14.6 -22.6 16 17 A S > - 0 0 0 -2,-0.2 4,-1.3 61,-0.2 3,-0.4 -0.994 19.0-123.1-145.2 136.2 3.0 -11.6 -22.2 17 18 A S H >> S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 3,-0.8 0.880 110.0 40.7 -40.6 -61.5 3.8 -8.7 -24.6 18 19 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.847 112.3 57.3 -62.2 -31.7 7.6 -9.1 -24.8 19 20 A Q H 34 S+ 0 0 1 -3,-0.4 387,-1.7 1,-0.1 -1,-0.2 0.703 126.0 10.6 -76.9 -21.1 7.4 -12.9 -25.0 20 21 A I H << S+ 0 0 2 -4,-1.3 36,-2.3 -3,-0.8 34,-0.9 0.684 108.9 71.7-127.1 -36.0 5.2 -13.1 -28.1 21 22 A E < + 0 0 8 -4,-2.3 36,-2.4 -5,-0.4 37,-0.4 0.895 59.6 177.9 -61.0 -49.6 4.7 -9.8 -30.0 22 23 A G + 0 0 7 -5,-0.4 30,-0.2 -4,-0.3 -1,-0.1 -0.538 41.1 112.6 73.4-146.3 8.0 -9.2 -31.6 23 24 A A > + 0 0 9 28,-0.5 3,-0.6 -2,-0.2 6,-0.2 0.895 45.1 174.4 46.1 50.0 8.2 -6.1 -33.8 24 25 A F T 3 S+ 0 0 46 27,-1.1 -1,-0.1 1,-0.3 8,-0.1 0.675 74.0 16.4 -68.6 -22.2 10.6 -4.7 -31.2 25 26 A N T > S+ 0 0 108 26,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.240 101.5 117.8-131.7 9.4 11.6 -1.5 -33.1 26 27 A E G X S+ 0 0 69 -3,-0.6 3,-1.4 1,-0.2 -4,-0.0 -0.465 72.2 8.8 -84.9 146.3 8.8 -1.4 -35.6 27 28 A D G 3 S- 0 0 57 1,-0.3 -1,-0.2 -2,-0.2 69,-0.2 0.804 129.3 -54.3 59.5 36.3 6.2 1.3 -35.9 28 29 A G G < S+ 0 0 47 -3,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.562 89.1 153.3 80.5 6.9 7.6 3.8 -33.5 29 30 A K < - 0 0 19 -3,-1.4 -1,-0.3 -6,-0.2 54,-0.3 -0.488 39.3-126.6 -68.2 139.0 7.9 1.5 -30.5 30 31 A G - 0 0 10 52,-2.2 2,-0.2 -2,-0.2 57,-0.1 -0.452 26.7 -88.0 -86.7 162.0 10.6 2.4 -28.1 31 32 A E - 0 0 76 -2,-0.1 94,-2.7 55,-0.1 95,-0.5 -0.484 41.9-159.6 -70.1 131.3 13.5 0.3 -26.7 32 33 A S B > -I 124 0B 0 92,-0.3 4,-2.3 -2,-0.2 3,-0.2 -0.674 32.4-108.7-107.6 164.0 12.8 -1.7 -23.5 33 34 A I H > S+ 0 0 3 90,-2.4 4,-3.3 1,-0.2 5,-0.2 0.759 121.5 57.3 -66.1 -20.0 15.2 -3.1 -21.0 34 35 A W H > S+ 0 0 2 89,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.907 103.3 50.8 -77.5 -37.4 14.4 -6.5 -22.3 35 36 A D H > S+ 0 0 2 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.948 116.7 44.2 -53.7 -51.1 15.4 -5.4 -25.8 36 37 A R H < S+ 0 0 26 -4,-2.3 -2,-0.2 2,-0.2 3,-0.2 0.961 113.7 46.3 -54.4 -62.4 18.6 -4.3 -24.1 37 38 A F H >< S+ 0 0 9 -4,-3.3 3,-1.7 1,-0.2 6,-0.2 0.914 112.6 53.3 -52.0 -49.1 19.2 -7.3 -21.9 38 39 A S H 3< S+ 0 0 8 -4,-2.6 6,-0.3 1,-0.3 -1,-0.2 0.873 107.3 49.5 -49.5 -51.1 18.5 -9.6 -24.9 39 40 A H T 3< S+ 0 0 92 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.207 91.5 99.4 -80.3 15.6 21.1 -7.8 -27.1 40 41 A T S X S- 0 0 22 -3,-1.7 3,-1.4 -5,-0.1 4,-0.4 -0.924 81.6-118.5-103.0 121.8 23.7 -8.1 -24.2 41 42 A P T 3 S+ 0 0 118 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.188 94.7 23.4 -56.7 142.6 26.1 -11.1 -24.7 42 43 A G T 3 S+ 0 0 84 2,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.521 98.7 93.6 82.8 5.6 25.9 -13.7 -22.1 43 44 A K S < S+ 0 0 57 -3,-1.4 2,-0.4 -6,-0.2 -5,-0.1 0.834 78.0 44.4 -99.8 -41.5 22.4 -13.0 -20.9 44 45 A I S > S- 0 0 14 -4,-0.4 3,-1.8 -6,-0.3 -2,-0.2 -0.851 88.5-101.7-111.9 142.9 20.1 -15.3 -22.8 45 46 A E G > S- 0 0 80 364,-3.2 3,-2.0 -2,-0.4 367,-0.2 -0.337 106.4 -0.5 -54.2 133.8 20.4 -19.0 -23.6 46 47 A N G 3 S- 0 0 137 1,-0.3 -1,-0.3 365,-0.1 364,-0.1 0.590 120.3 -81.1 57.7 11.3 21.6 -19.6 -27.1 47 48 A G G < S+ 0 0 59 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.742 79.2 168.3 70.7 23.6 21.6 -15.9 -27.6 48 49 A D < - 0 0 38 -3,-2.0 2,-0.3 361,-0.1 -1,-0.2 -0.229 13.1-168.1 -62.8 153.6 17.9 -15.8 -28.2 49 50 A T > - 0 0 30 -10,-0.1 4,-0.5 4,-0.0 3,-0.5 -0.953 36.1-122.5-137.7 166.3 16.0 -12.5 -28.3 50 51 A G T 4 S+ 0 0 1 -2,-0.3 -28,-0.2 1,-0.2 -26,-0.1 0.273 77.1 118.5 -84.3 10.6 12.5 -11.3 -28.3 51 52 A D T 4 S- 0 0 39 1,-0.2 -27,-1.1 -29,-0.1 -28,-0.5 0.841 98.6 -5.0 -46.0 -44.3 13.3 -9.5 -31.6 52 53 A I T >4 S+ 0 0 102 -3,-0.5 3,-3.0 -30,-0.2 4,-0.3 0.664 84.6 161.0-118.9 -41.0 10.7 -11.6 -33.5 53 54 A A T 3< S- 0 0 5 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.272 81.4 -21.6 56.0-128.3 9.3 -14.1 -31.0 54 55 A C T 3 S- 0 0 0 -34,-0.9 -1,-0.3 -35,-0.1 5,-0.2 0.243 82.9-123.0 -92.5 11.7 6.0 -15.4 -32.3 55 56 A D X> + 0 0 41 -3,-3.0 4,-2.2 1,-0.1 3,-1.6 0.853 56.5 156.9 46.1 37.3 5.5 -12.3 -34.5 56 57 A H H 3> + 0 0 2 -36,-2.3 4,-1.8 -4,-0.3 -35,-0.2 0.848 61.2 68.6 -59.3 -35.6 2.2 -11.9 -32.6 57 58 A Y H 34 S+ 0 0 9 -36,-2.4 -1,-0.3 1,-0.2 -35,-0.1 0.780 114.4 28.9 -53.3 -27.6 2.2 -8.2 -33.5 58 59 A H H <4 S+ 0 0 73 -3,-1.6 3,-0.3 -37,-0.4 -2,-0.2 0.743 125.6 42.8-105.7 -31.3 1.6 -9.3 -37.1 59 60 A L H >X S+ 0 0 38 -4,-2.2 4,-1.9 -38,-0.2 3,-0.8 0.314 72.7 117.8-101.5 6.6 -0.3 -12.6 -36.6 60 61 A Y H 3X S+ 0 0 9 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.729 73.8 56.8 -47.2 -30.5 -2.7 -11.6 -33.8 61 62 A R H 3> S+ 0 0 149 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.932 107.1 47.0 -70.3 -45.7 -5.7 -12.2 -36.0 62 63 A E H <> S+ 0 0 88 -3,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.877 111.2 55.7 -55.3 -39.0 -4.7 -15.8 -36.6 63 64 A D H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.868 104.1 50.0 -69.5 -36.3 -4.1 -16.0 -32.9 64 65 A I H X S+ 0 0 5 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.937 110.6 51.3 -66.1 -43.0 -7.6 -14.9 -32.0 65 66 A E H X S+ 0 0 106 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.893 108.5 51.0 -60.2 -40.7 -9.0 -17.5 -34.4 66 67 A L H X S+ 0 0 21 -4,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.833 110.5 50.1 -64.6 -34.2 -6.8 -20.1 -32.7 67 68 A M H >X>S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-1.1 0.963 108.1 51.7 -65.1 -55.6 -8.2 -18.9 -29.4 68 69 A K H 3<5S+ 0 0 99 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 107.9 54.9 -37.8 -49.3 -11.8 -19.2 -30.7 69 70 A E H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.1 44.5 -63.1 -35.9 -10.9 -22.7 -31.8 70 71 A I H <<5S- 0 0 1 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.658 107.7-131.9 -82.5 -18.8 -9.8 -23.8 -28.3 71 72 A G T <5 + 0 0 28 -4,-1.8 -3,-0.2 1,-0.2 -60,-0.1 0.697 40.8 169.2 78.7 20.6 -12.9 -22.1 -26.9 72 73 A I < - 0 0 8 -5,-1.1 -60,-0.2 1,-0.1 -1,-0.2 -0.310 27.7-152.1 -65.2 151.6 -11.3 -20.0 -24.1 73 74 A R S S+ 0 0 87 -62,-2.1 40,-1.9 1,-0.2 2,-0.3 0.523 76.0 29.3-107.2 -10.0 -13.5 -17.5 -22.6 74 75 A S E -bc 12 113A 0 -63,-0.9 -61,-1.2 38,-0.2 2,-0.5 -0.995 62.7-155.0-149.0 148.9 -10.9 -15.0 -21.5 75 76 A Y E -bc 13 114A 0 38,-2.1 40,-2.1 -2,-0.3 2,-0.7 -0.985 7.6-154.8-127.6 120.3 -7.4 -14.1 -22.7 76 77 A R E +bc 14 115A 0 -63,-2.9 -61,-2.7 -2,-0.5 2,-0.3 -0.854 27.6 162.1 -96.7 113.0 -4.8 -12.6 -20.5 77 78 A F E - c 0 116A 2 38,-1.6 40,-2.6 -2,-0.7 2,-0.3 -0.847 33.7-118.4-128.1 165.9 -2.2 -10.5 -22.3 78 79 A S E - c 0 117A 1 -2,-0.3 2,-0.6 38,-0.2 40,-0.2 -0.801 16.3-140.8-106.9 147.0 0.4 -7.9 -21.6 79 80 A T - 0 0 0 38,-1.9 2,-1.1 -2,-0.3 41,-0.3 -0.915 21.5-127.8-110.5 118.5 0.4 -4.3 -22.9 80 81 A S >> - 0 0 1 -2,-0.6 3,-1.5 1,-0.2 4,-0.9 -0.555 15.7-164.1 -77.4 98.6 3.8 -3.0 -23.8 81 82 A W H >> S+ 0 0 0 -2,-1.1 4,-3.2 37,-0.3 3,-1.1 0.854 89.6 50.9 -42.5 -50.9 4.4 0.3 -22.1 82 83 A P H 34 S+ 0 0 0 0, 0.0 -52,-2.2 0, 0.0 -1,-0.3 0.756 106.6 55.7 -65.7 -23.4 7.4 1.3 -24.4 83 84 A R H <4 S+ 0 0 1 -3,-1.5 13,-0.3 -54,-0.3 -2,-0.2 0.695 117.8 34.7 -77.4 -18.8 5.3 0.5 -27.5 84 85 A I H << S+ 0 0 0 -3,-1.1 9,-2.0 -4,-0.9 13,-0.2 0.774 134.8 22.8-106.2 -39.4 2.7 3.0 -26.3 85 86 A L S >< S- 0 0 12 -4,-3.2 3,-1.6 -5,-0.2 -1,-0.3 -0.831 71.9-168.1-131.0 90.2 4.8 5.6 -24.6 86 87 A P T 3 S+ 0 0 24 0, 0.0 40,-0.3 0, 0.0 -55,-0.1 0.732 89.6 37.9 -55.1 -28.4 8.3 5.3 -26.2 87 88 A E T 3 S- 0 0 117 2,-0.6 3,-0.1 4,-0.3 -2,-0.0 0.512 111.9-115.2-100.0 -4.9 10.0 7.5 -23.6 88 89 A G S < S+ 0 0 1 -3,-1.6 2,-0.3 -7,-0.2 57,-0.2 -0.061 98.4 35.6 93.7 -29.5 7.8 6.2 -20.7 89 90 A K S S+ 0 0 78 55,-0.1 -2,-0.6 2,-0.0 2,-0.3 -0.815 100.9 32.9-139.6 175.2 6.4 9.7 -20.5 90 91 A G S S+ 0 0 65 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.0 -0.567 94.7 40.6 80.9-129.7 5.6 12.4 -23.0 91 92 A R - 0 0 214 -2,-0.3 2,-0.6 1,-0.1 -4,-0.3 -0.262 69.2-131.2 -73.7 135.3 4.3 11.6 -26.5 92 93 A V - 0 0 51 -7,-0.1 2,-1.1 -6,-0.1 -7,-0.2 -0.730 13.3-140.2 -85.2 120.6 1.8 8.9 -27.2 93 94 A N >> - 0 0 32 -9,-2.0 4,-1.2 -2,-0.6 3,-0.9 -0.676 18.0-164.2 -76.9 99.3 2.9 6.6 -30.1 94 95 A Q H 3> S+ 0 0 91 -2,-1.1 4,-2.8 1,-0.3 3,-0.5 0.865 79.6 59.4 -59.1 -45.0 -0.5 6.2 -31.8 95 96 A K H 3> S+ 0 0 109 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.807 104.9 53.2 -56.5 -33.1 0.2 3.2 -34.0 96 97 A G H <> S+ 0 0 0 -3,-0.9 4,-1.3 -13,-0.3 -1,-0.3 0.861 108.9 47.3 -68.2 -40.0 1.1 1.2 -30.9 97 98 A L H X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.5 5,-0.2 0.949 107.2 57.9 -64.2 -46.5 -2.2 2.0 -29.3 98 99 A D H X S+ 0 0 51 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.853 99.8 59.6 -52.7 -39.1 -4.0 1.1 -32.5 99 100 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.2 3,-0.3 0.985 109.4 40.2 -52.3 -61.4 -2.5 -2.3 -32.3 100 101 A Y H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.845 112.3 56.9 -60.6 -32.9 -4.0 -3.1 -28.9 101 102 A K H X S+ 0 0 72 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 110.2 45.8 -61.3 -40.1 -7.3 -1.4 -30.0 102 103 A R H X S+ 0 0 93 -4,-2.7 4,-1.9 -3,-0.3 -2,-0.2 0.914 113.2 49.3 -65.9 -44.5 -7.3 -3.9 -32.9 103 104 A L H >X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.978 112.4 46.2 -59.3 -58.5 -6.5 -6.8 -30.6 104 105 A V H 3X S+ 0 0 1 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.899 109.8 56.7 -48.4 -42.1 -9.2 -6.0 -28.1 105 106 A D H 3X S+ 0 0 98 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.879 109.5 42.8 -67.3 -36.9 -11.6 -5.5 -30.9 106 107 A N H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 3,-0.8 0.966 111.8 42.4 -60.4 -51.5 -11.2 -10.4 -28.8 108 109 A L H ><5S+ 0 0 65 -4,-3.3 3,-2.4 1,-0.2 -2,-0.2 0.926 111.2 53.3 -61.7 -47.8 -14.6 -8.8 -28.2 109 110 A K H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.647 111.2 48.9 -65.0 -12.3 -16.1 -9.7 -31.6 110 111 A A T <<5S- 0 0 18 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.257 118.2-115.2-104.1 6.1 -15.1 -13.3 -30.9 111 112 A N T < 5 + 0 0 141 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.874 68.6 139.9 54.5 45.0 -16.6 -13.1 -27.4 112 113 A I < - 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0 0 0 -2,-0.2 4,-1.3 61,-0.2 3,-0.5 -0.997 19.6-122.5-143.7 138.0 41.7 11.1 -3.5 465 18 B S H >> S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.3 3,-0.9 0.891 109.9 40.7 -43.5 -62.6 38.8 11.7 -1.1 466 19 B Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.835 112.3 58.0 -60.2 -30.1 37.4 8.2 -0.9 467 20 B Q H <4 S+ 0 0 2 -3,-0.5 386,-1.8 1,-0.1 -1,-0.2 0.749 125.5 9.9 -78.8 -21.7 40.8 6.6 -0.8 468 21 B I H << S+ 0 0 2 -4,-1.3 36,-2.2 -3,-0.9 34,-0.9 0.708 108.5 72.8-125.7 -36.3 42.0 8.4 2.3 469 22 B E < + 0 0 9 -4,-2.3 36,-2.4 -5,-0.4 37,-0.4 0.882 59.8 179.4 -59.0 -48.8 39.4 10.4 4.2 470 23 B G + 0 0 5 -5,-0.4 30,-0.2 -4,-0.3 -1,-0.1 -0.546 42.5 109.9 74.0-149.2 37.3 7.7 5.9 471 24 B A > + 0 0 9 28,-0.5 3,-0.7 -2,-0.2 6,-0.2 0.881 45.7 174.3 46.7 51.0 34.4 9.0 8.1 472 25 B F T 3 S+ 0 0 46 27,-1.0 -1,-0.1 1,-0.3 8,-0.1 0.690 74.5 17.6 -69.2 -25.0 32.0 7.7 5.4 473 26 B N T > S+ 0 0 110 26,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.210 101.4 117.2-127.4 11.1 28.7 8.3 7.3 474 27 B E G X S+ 0 0 69 -3,-0.7 3,-1.4 1,-0.2 -4,-0.0 -0.490 72.2 9.3 -86.9 146.4 30.0 10.8 9.8 475 28 B D G 3 S- 0 0 56 1,-0.3 -1,-0.2 -2,-0.2 69,-0.2 0.803 129.1 -54.6 59.7 36.6 28.9 14.4 10.1 476 29 B G G < S+ 0 0 48 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.518 89.3 153.5 81.9 3.4 26.0 14.4 7.7 477 30 B K < - 0 0 21 -3,-1.4 -1,-0.3 -6,-0.2 54,-0.2 -0.415 39.2-126.5 -65.9 141.6 28.0 13.1 4.8 478 31 B G - 0 0 10 52,-1.8 2,-0.2 1,-0.1 57,-0.1 -0.482 26.6 -88.4 -89.6 162.8 25.8 11.2 2.3 479 32 B E - 0 0 71 -2,-0.2 94,-2.7 55,-0.1 95,-0.5 -0.469 41.5-159.6 -72.0 133.6 26.2 7.7 0.8 480 33 B S B > -Y 572 0I 0 92,-0.3 4,-2.4 -2,-0.2 3,-0.3 -0.732 32.6-109.2-110.9 162.3 28.4 7.3 -2.3 481 34 B I H > S+ 0 0 5 90,-2.4 4,-3.2 -2,-0.3 5,-0.2 0.752 121.2 57.6 -66.2 -19.0 28.5 4.5 -4.9 482 35 B W H > S+ 0 0 2 89,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.895 103.1 50.8 -78.6 -35.0 31.8 3.6 -3.5 483 36 B D H > S+ 0 0 3 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.959 116.7 44.0 -55.6 -51.7 30.3 3.2 -0.0 484 37 B R H < S+ 0 0 23 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.957 113.5 46.8 -53.1 -62.6 27.8 0.9 -1.8 485 38 B F H >< S+ 0 0 10 -4,-3.2 3,-1.8 1,-0.2 6,-0.2 0.915 112.3 53.2 -50.0 -49.3 30.2 -1.0 -4.0 486 39 B S H 3< S+ 0 0 8 -4,-2.5 6,-0.3 1,-0.3 -1,-0.2 0.853 107.4 49.5 -52.4 -48.2 32.4 -1.5 -1.0 487 40 B H T 3< S+ 0 0 88 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.165 91.3 99.6 -83.5 16.9 29.7 -3.0 1.1 488 41 B T S X S- 0 0 25 -3,-1.8 3,-1.4 -5,-0.1 4,-0.5 -0.924 81.6-117.6-102.0 123.0 28.7 -5.3 -1.7 489 42 B P T 3 S+ 0 0 117 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.247 94.7 22.5 -57.6 143.1 30.1 -8.8 -1.2 490 43 B G T 3 S+ 0 0 84 2,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.510 99.0 93.7 80.5 8.8 32.5 -10.0 -3.9 491 44 B K S < S+ 0 0 55 -3,-1.4 2,-0.4 -6,-0.2 -5,-0.1 0.844 77.8 44.5-100.1 -43.1 33.6 -6.5 -5.1 492 45 B I S > S- 0 0 16 -4,-0.5 3,-1.9 -6,-0.3 -2,-0.2 -0.841 88.6-102.7-110.0 142.6 36.7 -5.6 -3.1 493 46 B E G > S+ 0 0 82 363,-3.4 3,-2.0 -2,-0.4 366,-0.2 -0.316 105.9 0.8 -55.0 137.4 39.7 -7.7 -2.4 494 47 B N G 3 S- 0 0 137 1,-0.3 -1,-0.3 364,-0.1 363,-0.1 0.584 120.2 -81.4 56.2 12.0 39.7 -9.1 1.2 495 48 B G G < S+ 0 0 59 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.747 79.5 167.9 68.7 23.0 36.4 -7.3 1.7 496 49 B D < - 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