==== 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 ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)03-JAN-94 1XYB . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVOCHROMOGENES; . AUTHOR A.LAVIE,K.N.ALLEN,G.A.PETSKO,D.RINGE . 772 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 40 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 6 1 1 2 2 2 2 2 2 0 0 0 0 2 0 0 4 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 4 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 1 A S 0 0 147 0, 0.0 2,-2.0 0, 0.0 310,-0.0 0.000 360.0 360.0 360.0-153.4 8.8 36.0 -16.2 2 2 A Y + 0 0 45 305,-0.0 308,-0.1 2,-0.0 309,-0.1 -0.231 360.0 136.1 -89.1 60.5 10.5 32.6 -16.0 3 3 A Q - 0 0 153 -2,-2.0 43,-0.1 307,-0.1 2,-0.1 -0.777 53.6-118.7 -96.2 127.0 13.9 32.7 -14.3 4 4 A P - 0 0 20 0, 0.0 43,-0.1 0, 0.0 -1,-0.0 -0.350 30.9-169.2 -59.8 137.3 14.8 29.9 -11.8 5 5 A T > - 0 0 58 -2,-0.1 3,-1.5 1,-0.1 5,-0.4 -0.834 36.4-108.3-121.3 166.5 15.5 31.2 -8.2 6 6 A P G > S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 42,-0.1 0.854 117.7 64.0 -67.5 -28.4 17.0 29.1 -5.2 7 7 A E G 3 S+ 0 0 158 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.648 86.8 69.4 -69.2 -15.7 13.6 29.1 -3.6 8 8 A D G < S- 0 0 23 -3,-1.5 -1,-0.3 2,-0.1 275,-0.2 0.678 95.1-143.6 -75.6 -14.6 12.2 27.0 -6.5 9 9 A R < + 0 0 79 -3,-1.6 274,-2.9 -4,-0.3 2,-0.4 0.808 31.7 172.3 59.3 36.1 14.3 24.1 -5.2 10 10 A F E +a 283 0A 0 -5,-0.4 38,-3.3 36,-0.3 39,-1.2 -0.614 3.8 174.3 -77.5 126.7 15.2 22.8 -8.6 11 11 A T E -ab 284 49A 0 272,-2.0 274,-2.5 -2,-0.4 2,-0.3 -0.926 13.7-161.6-130.8 163.2 17.8 20.0 -8.5 12 12 A F E -ab 285 50A 0 37,-1.3 39,-1.8 -2,-0.3 2,-0.1 -0.989 22.3-114.0-143.8 146.2 19.3 17.7 -11.1 13 13 A G E >> - b 0 51A 0 272,-1.1 3,-1.3 -2,-0.3 4,-0.7 -0.500 22.4-126.2 -76.9 151.8 21.2 14.4 -10.9 14 14 A L H 3> S+ 0 0 11 37,-1.8 4,-0.8 1,-0.2 -1,-0.1 0.854 113.7 55.6 -59.6 -32.0 24.9 14.2 -12.0 15 15 A W H 34 S+ 0 0 43 2,-0.2 -1,-0.2 3,-0.1 5,-0.1 0.472 97.4 64.2 -79.1 -8.5 23.8 11.4 -14.3 16 16 A T H X4 S+ 0 0 0 -3,-1.3 3,-2.1 2,-0.2 -2,-0.1 0.951 116.6 22.4 -84.7 -72.4 21.0 13.5 -16.1 17 17 A V H 3< S+ 0 0 2 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.705 123.5 62.1 -64.5 -17.2 23.0 16.3 -17.9 18 18 A G T 3< S+ 0 0 20 -4,-0.8 15,-0.3 -5,-0.3 -1,-0.3 0.447 72.3 125.8 -88.5 -0.8 26.0 13.9 -17.7 19 19 A W < - 0 0 47 -3,-2.1 -3,-0.1 1,-0.2 -4,-0.0 -0.406 50.0-155.6 -62.5 126.4 24.3 11.2 -19.8 20 20 A Q - 0 0 57 -2,-0.1 9,-2.4 2,-0.1 10,-2.1 0.490 40.3-106.1 -83.1 -6.9 26.6 10.3 -22.6 21 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 270,-0.1 0.477 65.1 150.2 100.1 1.5 23.9 9.1 -25.0 22 22 A R + 0 0 116 8,-0.1 -1,-0.3 389,-0.1 5,-0.2 -0.497 16.9 166.0 -72.0 132.9 24.6 5.4 -24.9 23 23 A D B > -F 26 0B 23 3,-2.2 3,-1.3 -2,-0.2 5,-0.0 -0.798 54.0 -81.6-136.9 178.4 21.4 3.4 -25.5 24 24 A P T 3 S+ 0 0 38 0, 0.0 385,-0.1 0, 0.0 3,-0.1 0.723 129.9 31.0 -59.3 -20.5 20.5 -0.4 -26.3 25 25 A F T 3 S+ 0 0 29 455,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.250 119.7 46.9-119.4 14.2 21.3 0.2 -30.0 26 26 A G B < -F 23 0B 6 -3,-1.3 -3,-2.2 547,-0.0 455,-0.2 -0.999 67.1-117.3-163.3 150.0 24.0 2.9 -29.9 27 27 A D - 0 0 81 454,-2.2 -2,-0.1 -2,-0.3 0, 0.0 -0.252 55.5 -66.3 -77.0 168.9 27.2 4.2 -28.6 28 28 A A - 0 0 22 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.243 36.0-171.2 -55.0 139.6 27.8 7.4 -26.6 29 29 A T S S+ 0 0 33 -9,-2.4 -8,-0.2 -3,-0.1 -1,-0.1 0.418 70.5 48.8-108.1 -9.3 27.4 10.6 -28.6 30 30 A R S S- 0 0 13 -10,-2.1 2,-0.1 264,-0.1 -8,-0.1 -0.949 84.6-110.2-129.1 152.9 28.8 12.9 -25.9 31 31 A P - 0 0 109 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.414 48.6 -87.7 -70.7 157.8 32.0 12.9 -23.8 32 32 A A - 0 0 72 -2,-0.1 2,-0.4 1,-0.1 -13,-0.1 -0.364 44.6-129.4 -65.8 140.0 31.8 12.3 -20.0 33 33 A L - 0 0 37 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.1 -0.777 13.9-121.2 -93.3 142.5 31.2 15.4 -18.0 34 34 A D >> - 0 0 59 -2,-0.4 4,-1.9 1,-0.1 3,-0.5 -0.742 19.1-133.1 -77.1 129.6 33.3 16.3 -15.0 35 35 A P H 3> S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 106.8 56.7 -50.7 -34.8 31.1 16.6 -11.8 36 36 A V H 3> S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 106.8 47.6 -67.7 -41.4 32.8 19.9 -11.0 37 37 A E H <> S+ 0 0 91 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.890 111.4 52.0 -63.8 -39.5 31.8 21.4 -14.3 38 38 A T H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.924 107.8 50.7 -64.2 -45.5 28.3 20.1 -13.8 39 39 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 114.4 45.6 -59.9 -43.3 28.0 21.8 -10.4 40 40 A Q H X S+ 0 0 90 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.879 114.3 45.3 -66.9 -42.1 29.2 25.1 -11.9 41 41 A R H X S+ 0 0 67 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.917 114.0 48.7 -71.1 -40.9 27.0 25.1 -14.9 42 42 A L H X>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 4,-0.8 0.929 109.1 53.8 -63.8 -39.1 23.9 24.1 -13.0 43 43 A A H ><5S+ 0 0 31 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.937 108.4 50.6 -62.3 -38.0 24.6 26.8 -10.4 44 44 A E H 3<5S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 105.7 56.0 -67.9 -30.8 24.8 29.3 -13.4 45 45 A L H 3<5S- 0 0 30 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.573 122.5-103.1 -73.7 -14.8 21.4 28.0 -14.7 46 46 A G T <<5 + 0 0 21 -3,-1.0 -36,-0.3 -4,-0.8 -3,-0.2 0.561 69.0 149.6 102.4 9.4 19.7 28.7 -11.4 47 47 A A < - 0 0 5 -5,-2.0 -1,-0.3 1,-0.1 -36,-0.2 -0.400 39.5-147.5 -68.9 154.3 19.4 25.2 -10.0 48 48 A H - 0 0 46 -38,-3.3 36,-1.9 1,-0.2 2,-0.3 0.674 66.2 -9.4 -96.6 -26.5 19.5 24.8 -6.2 49 49 A G E -bc 11 84A 0 -39,-1.2 -37,-1.3 34,-0.2 2,-0.3 -0.979 53.8-128.2-165.4 172.8 21.3 21.5 -5.8 50 50 A V E -b 12 0A 0 34,-2.2 37,-0.4 -2,-0.3 2,-0.3 -0.922 15.0-157.3-129.1 153.8 22.6 18.3 -7.3 51 51 A T E -b 13 0A 0 -39,-1.8 -37,-1.8 -2,-0.3 2,-0.3 -0.783 13.2-169.0-123.0 172.4 22.2 14.6 -6.5 52 52 A F E -g 88 0C 0 35,-0.5 37,-2.0 -2,-0.3 2,-0.3 -0.996 26.2-131.6-160.9 155.3 24.3 11.6 -7.2 53 53 A H E >> -g 89 0C 13 -2,-0.3 3,-1.3 35,-0.2 4,-1.2 -0.791 42.8-113.3 -95.8 151.2 24.7 7.9 -7.3 54 54 A D H >> S+ 0 0 17 35,-1.1 4,-2.7 -2,-0.3 3,-0.7 0.934 117.2 53.7 -52.3 -48.1 28.0 6.8 -5.7 55 55 A D H 34 S+ 0 0 34 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.625 101.6 60.8 -66.8 -13.1 29.4 5.5 -9.0 56 56 A D H <4 S+ 0 0 51 -3,-1.3 -1,-0.2 3,-0.1 -2,-0.2 0.881 116.5 30.6 -73.8 -39.8 28.7 9.0 -10.6 57 57 A L H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.886 128.9 33.5 -83.5 -44.2 31.0 10.7 -8.2 58 58 A I S < S- 0 0 13 -4,-2.7 -1,-0.3 -5,-0.2 3,-0.1 -0.972 90.8-117.0-121.0 116.8 33.6 7.9 -7.4 59 59 A P > - 0 0 64 0, 0.0 3,-2.5 0, 0.0 -3,-0.1 -0.295 40.6 -97.4 -53.5 130.9 34.5 5.5 -10.3 60 60 A F T 3 S+ 0 0 89 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.258 112.7 24.4 -52.0 131.0 33.6 2.0 -9.5 61 61 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.316 84.6 156.0 93.7 -7.4 36.7 0.2 -8.2 62 62 A S < - 0 0 20 -3,-2.5 -1,-0.2 1,-0.1 2,-0.1 -0.142 44.3-119.9 -51.8 136.9 38.5 3.4 -6.9 63 63 A S >> - 0 0 50 1,-0.1 4,-2.4 4,-0.0 3,-0.6 -0.447 35.1-100.9 -67.7 159.2 41.1 2.9 -4.2 64 64 A D H 3> S+ 0 0 110 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.678 124.0 53.6 -61.7 -11.5 40.3 4.9 -1.0 65 65 A T H 3> S+ 0 0 111 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.834 110.0 45.3 -88.6 -35.6 42.8 7.6 -2.0 66 66 A E H <> S+ 0 0 96 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.836 110.3 58.2 -73.0 -31.6 41.3 8.1 -5.4 67 67 A R H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.940 106.8 45.1 -62.6 -47.5 37.9 8.1 -3.7 68 68 A E H X S+ 0 0 92 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.828 107.7 57.5 -74.0 -26.8 38.8 11.0 -1.4 69 69 A S H X S+ 0 0 64 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.901 110.6 45.4 -60.2 -41.8 40.3 13.0 -4.3 70 70 A H H X S+ 0 0 57 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.934 115.3 45.9 -67.0 -47.1 37.0 12.8 -6.1 71 71 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 112.4 51.1 -62.8 -46.5 35.0 13.7 -3.0 72 72 A K H X S+ 0 0 112 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.916 110.6 48.0 -57.9 -48.4 37.3 16.5 -2.1 73 73 A R H X S+ 0 0 110 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.898 112.4 49.1 -58.4 -43.8 37.1 18.1 -5.6 74 74 A F H >X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 3,-0.6 0.967 109.8 51.1 -61.2 -52.1 33.3 17.8 -5.6 75 75 A R H 3X S+ 0 0 69 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.814 106.2 55.0 -62.9 -30.3 33.0 19.4 -2.2 76 76 A Q H 3X S+ 0 0 110 -4,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.873 108.7 49.5 -67.0 -38.4 35.2 22.4 -3.2 77 77 A A H S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 5,-0.8 0.953 113.7 48.7 -61.0 -46.5 29.7 22.9 -3.9 79 79 A D H <5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.2 52.0 -65.1 -34.3 31.4 25.1 -1.3 80 80 A A H <5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.758 119.9 33.1 -73.6 -23.8 32.4 27.6 -4.0 81 81 A T H <5S- 0 0 51 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.628 100.3-120.4-105.4 -19.0 28.9 27.8 -5.5 82 82 A G T <5 + 0 0 59 -4,-2.3 -3,-0.2 1,-0.3 2,-0.1 0.589 58.2 157.7 83.4 8.9 26.6 27.4 -2.5 83 83 A M < - 0 0 21 -5,-0.8 -1,-0.3 -6,-0.3 -34,-0.2 -0.477 29.2-145.2 -68.4 140.2 25.1 24.3 -4.2 84 84 A T B -c 49 0A 50 -36,-1.9 -34,-2.2 -2,-0.1 45,-0.1 -0.533 10.9-140.4-101.5 166.4 23.4 21.9 -2.0 85 85 A V + 0 0 4 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.819 27.7 167.7-125.6 86.7 23.1 18.1 -2.1 86 86 A P + 0 0 15 0, 0.0 45,-1.7 0, 0.0 46,-1.3 0.691 64.4 16.8 -73.5 -21.7 19.5 17.3 -1.0 87 87 A M E - h 0 132C 1 -37,-0.4 -35,-0.5 43,-0.2 2,-0.3 -0.982 57.7-178.1-153.2 153.1 19.5 13.6 -2.0 88 88 A A E -gh 52 133C 0 44,-1.2 46,-2.4 -2,-0.3 2,-0.3 -0.946 6.1-175.5-150.1 166.4 21.8 10.8 -2.9 89 89 A T E -gh 53 134C 6 -37,-2.0 -35,-1.1 -2,-0.3 2,-0.4 -0.925 24.2-106.7-157.3 173.1 21.4 7.1 -4.0 90 90 A T - 0 0 10 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.865 22.2-127.3-111.2 144.9 23.4 4.0 -4.8 91 91 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.818 41.7 155.8 -90.6 104.8 24.0 2.5 -8.2 92 92 A L + 0 0 16 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.127 65.4 55.4-115.2 35.3 22.9 -1.1 -7.7 93 93 A F S S+ 0 0 18 45,-0.1 319,-0.1 9,-0.0 8,-0.1 0.676 87.6 62.3-135.4 -33.1 22.2 -1.7 -11.4 94 94 A T S S+ 0 0 33 319,-0.2 320,-2.2 317,-0.1 316,-0.1 0.926 82.2 79.0 -68.5 -51.3 25.2 -1.0 -13.8 95 95 A H S > S- 0 0 60 318,-0.2 3,-2.0 -4,-0.2 321,-0.1 -0.365 84.2-123.6 -67.3 138.8 27.8 -3.5 -12.7 96 96 A P G > S+ 0 0 35 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.713 106.0 72.6 -54.4 -20.8 27.3 -7.1 -14.0 97 97 A V G 3 S+ 0 0 53 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.827 95.5 54.0 -65.9 -24.8 27.4 -8.5 -10.4 98 98 A F G X S+ 0 0 0 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.172 71.1 118.8 -90.8 18.1 23.9 -6.9 -10.0 99 99 A K T < S+ 0 0 70 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.727 86.3 33.0 -59.8 -25.6 22.4 -8.7 -13.1 100 100 A D T 3 S- 0 0 30 1,-0.4 41,-0.3 -3,-0.4 -1,-0.3 0.202 130.9 -76.6-111.4 17.1 19.9 -10.5 -10.9 101 101 A G < - 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0 0 11 -3,-0.6 2,-0.8 -4,-0.4 -1,-0.2 -0.982 67.8-147.3-140.4 120.8 11.6 15.8 -38.7 536 649 B D > - 0 0 91 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.863 21.9-157.1 -81.6 114.8 9.2 16.9 -41.5 537 650 B V H > S+ 0 0 74 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.835 85.5 53.8 -74.4 -28.2 7.7 13.5 -42.1 538 651 B R H > S+ 0 0 201 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.917 114.4 43.3 -65.4 -39.5 6.4 14.1 -45.7 539 652 B V H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.878 111.4 54.2 -72.8 -37.3 10.0 15.2 -46.7 540 653 B A H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 106.7 51.6 -63.0 -36.7 11.6 12.3 -44.7 541 654 B L H X S+ 0 0 59 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.854 106.8 53.9 -71.1 -31.5 9.4 9.8 -46.6 542 655 B D H X S+ 0 0 91 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.940 112.2 44.5 -63.0 -46.0 10.6 11.5 -49.9 543 656 B R H X S+ 0 0 73 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.844 113.3 50.3 -64.4 -31.6 14.2 10.9 -48.7 544 657 B M H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 112.9 45.9 -74.7 -41.0 13.3 7.3 -47.6 545 658 B K H X S+ 0 0 66 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.954 111.4 53.6 -62.7 -47.4 11.7 6.6 -51.0 546 659 B E H X S+ 0 0 89 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.906 108.8 48.8 -52.4 -43.8 14.7 8.1 -52.7 547 660 B A H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.910 113.6 44.1 -67.5 -41.7 17.1 5.9 -50.8 548 661 B F H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.884 112.0 53.9 -73.8 -34.7 15.2 2.6 -51.6 549 662 B D H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.927 109.5 48.1 -62.1 -45.2 14.8 3.6 -55.3 550 663 B L H X S+ 0 0 71 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.865 111.0 50.1 -63.3 -39.2 18.5 4.2 -55.6 551 664 B L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 111.8 49.3 -65.3 -36.2 19.3 0.8 -53.9 552 665 B G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 110.9 49.3 -69.5 -38.8 16.8 -0.8 -56.4 553 666 B E H X S+ 0 0 108 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.945 111.1 51.6 -61.8 -44.5 18.5 0.9 -59.3 554 667 B Y H X S+ 0 0 47 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 112.2 42.1 -63.1 -49.0 21.9 -0.3 -58.1 555 668 B V H <>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 4,-0.5 0.873 114.1 53.0 -72.1 -29.3 21.0 -4.0 -57.7 556 669 B T H ><5S+ 0 0 65 -4,-1.9 3,-1.3 2,-0.2 -2,-0.2 0.940 108.8 49.1 -66.6 -44.5 19.1 -4.0 -61.0 557 670 B S H 3<5S+ 0 0 83 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.909 113.3 48.0 -64.3 -37.5 22.1 -2.5 -62.9 558 671 B Q T 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.597 108.6-127.7 -74.0 -12.5 24.3 -5.1 -61.3 559 672 B G T < 5 + 0 0 66 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.880 48.6 167.5 64.5 33.7 21.9 -7.9 -62.3 560 673 B Y < - 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0 0 101 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.312 22.8-136.5 -54.9 136.3 -17.8 -15.3 -52.7 728 841 B T S S+ 0 0 147 1,-0.2 2,-0.1 -4,-0.1 3,-0.1 0.928 91.5 0.7 -59.7 -47.9 -20.3 -12.8 -51.3 729 842 B A > + 0 0 32 1,-0.1 3,-0.8 2,-0.0 -1,-0.2 -0.623 67.4 151.4-150.1 70.4 -21.8 -11.8 -54.6 730 843 B A T 3 S+ 0 0 85 -3,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.831 77.0 69.7 -72.2 -28.5 -20.2 -13.7 -57.5 731 844 B D T 3 S- 0 0 84 1,-0.1 4,-0.4 -4,-0.1 -1,-0.2 0.688 112.6-126.2 -58.6 -16.7 -23.6 -13.3 -59.2 732 845 B G <> - 0 0 27 -3,-0.8 4,-2.2 1,-0.1 5,-0.1 -0.070 25.7 -59.8 95.5 170.9 -22.5 -9.5 -59.3 733 846 B V H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 126.9 46.7 -58.7 -47.3 -23.9 -6.1 -58.2 734 847 B Q H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 114.3 48.5 -72.1 -32.3 -27.2 -6.0 -60.2 735 848 B E H > S+ 0 0 120 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.889 111.5 49.6 -66.8 -42.0 -28.2 -9.5 -59.3 736 849 B L H >< S+ 0 0 72 -4,-2.2 3,-1.1 2,-0.2 6,-0.2 0.940 111.2 50.8 -60.1 -45.9 -27.4 -8.7 -55.6 737 850 B L H 3< S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.792 112.0 46.7 -61.1 -31.7 -29.6 -5.5 -56.0 738 851 B A H 3< S+ 0 0 68 -4,-1.6 2,-1.1 -5,-0.2 -1,-0.3 0.569 88.0 103.4 -85.1 -10.9 -32.4 -7.6 -57.5 739 852 B D X< - 0 0 57 -3,-1.1 3,-1.3 -4,-0.7 4,-0.4 -0.628 48.2-175.2 -81.7 102.7 -32.1 -10.3 -54.7 740 853 B R G > >S+ 0 0 139 -2,-1.1 5,-3.4 1,-0.3 3,-1.1 0.785 82.5 63.1 -64.8 -26.5 -35.0 -9.7 -52.3 741 854 B T G 3 5S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.2 6,-0.2 0.697 96.9 60.3 -73.0 -13.7 -33.7 -12.4 -50.0 742 855 B A G < 5S- 0 0 42 -3,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 0.588 131.6 -15.8 -85.0 -13.2 -30.6 -10.2 -49.5 743 856 B F T X 5S+ 0 0 170 -3,-1.1 3,-1.6 -4,-0.4 -3,-0.1 0.272 129.3 45.3-151.1 -76.4 -32.5 -7.3 -48.1 744 857 B E T 3 5S+ 0 0 99 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.802 128.5 28.9 -63.1 -25.4 -36.3 -6.8 -48.3 745 858 B D T 3 - 0 0 102 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 -0.717 24.7-178.5 -87.5 94.2 -35.0 -12.4 -41.8 748 861 B V H > S+ 0 0 88 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.786 76.0 53.2 -67.5 -28.5 -32.5 -10.4 -39.8 749 862 B D H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.800 105.4 51.7 -82.5 -29.0 -33.6 -11.8 -36.5 750 863 B A H 4 S+ 0 0 50 -3,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.917 115.0 44.1 -70.2 -42.8 -33.2 -15.5 -37.5 751 864 B A H >< S+ 0 0 21 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.935 111.6 53.4 -64.7 -42.4 -29.6 -14.7 -38.7 752 865 B A H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.5 57.9 -60.3 -30.5 -28.9 -12.6 -35.5 753 866 B A T 3< S+ 0 0 81 -4,-1.3 2,-0.4 -3,-0.1 -1,-0.3 0.575 80.5 102.1 -77.4 -12.6 -30.0 -15.6 -33.4 754 867 B R < - 0 0 152 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.607 69.9-135.5 -79.4 125.8 -27.4 -18.0 -34.8 755 868 B G - 0 0 55 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.528 4.4-137.9 -78.0 148.4 -24.5 -18.5 -32.4 756 869 B M - 0 0 79 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.653 22.4-143.4 -80.4 -11.5 -21.0 -18.5 -33.9 757 870 B A > + 0 0 52 1,-0.1 4,-1.4 3,-0.1 -38,-0.2 0.790 53.5 139.7 51.8 32.5 -19.9 -21.4 -31.8 758 871 B F H > + 0 0 106 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.775 59.6 58.5 -77.6 -26.7 -16.4 -19.7 -31.5 759 872 B E H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 105.8 48.3 -72.7 -40.8 -15.8 -20.6 -27.8 760 873 B R H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 113.7 48.6 -59.0 -44.7 -16.1 -24.3 -28.3 761 874 B L H X S+ 0 0 22 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.899 111.1 49.3 -60.6 -45.6 -13.7 -24.0 -31.3 762 875 B D H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.844 108.4 53.5 -68.7 -29.9 -11.2 -21.9 -29.3 763 876 B Q H X S+ 0 0 96 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.858 106.2 52.9 -74.7 -31.0 -11.3 -24.4 -26.4 764 877 B L H X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 109.7 49.2 -65.1 -34.6 -10.5 -27.2 -28.9 765 878 B A H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 50.8 -69.0 -38.4 -7.5 -25.1 -30.0 766 879 B M H X S+ 0 0 50 -4,-2.1 4,-2.7 2,-0.2 6,-0.2 0.950 109.2 50.3 -62.9 -47.2 -6.6 -24.7 -26.3 767 880 B D H <>S+ 0 0 27 -4,-2.7 5,-2.9 1,-0.2 4,-0.5 0.901 112.2 47.4 -57.1 -41.3 -6.7 -28.4 -25.6 768 881 B H H ><5S+ 0 0 6 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.918 110.9 50.3 -68.9 -43.9 -4.5 -29.2 -28.6 769 882 B L H 3<5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.1 42.3 -58.8 -44.6 -1.9 -26.5 -27.7 770 883 B L T 3<5S- 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.513 112.9-118.0 -81.9 -0.9 -1.7 -27.9 -24.1 771 884 B G T < 5S+ 0 0 42 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.808 70.9 139.0 68.8 25.8 -1.7 -31.5 -25.3 772 885 B A < 0 0 69 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.086 360.0 360.0 -86.8 19.9 -5.0 -32.2 -23.4 773 886 B R 0 0 143 -6,-0.5 -2,-0.2 -5,-0.2 -1,-0.1 -0.803 360.0 360.0 175.5 360.0 -5.9 -34.2 -26.6