==== 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 LYASE 01-AUG-06 2DVT . COMPND 2 MOLECULE: THERMOPHILIC REVERSIBLE GAMMA-RESORCYLATE DECARBO . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM SP.; . AUTHOR M.GOTO . 1293 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 916 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 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 . 59 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 3.2 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 8 0 4 0 16 1 13 2 0 4 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 8 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 M 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 132.3 83.4 45.8 23.3 2 2 A Q + 0 0 135 1,-0.2 50,-0.1 50,-0.1 49,-0.1 -0.630 360.0 43.6-106.6 167.8 83.8 42.9 20.8 3 3 A G S S+ 0 0 17 -2,-0.2 49,-0.2 1,-0.2 -1,-0.2 0.736 75.2 163.8 71.5 24.8 83.9 39.2 21.5 4 4 A K E -a 52 0A 0 47,-2.6 49,-2.1 -3,-0.3 50,-2.0 -0.258 32.1-138.8 -73.8 161.5 80.9 39.2 23.9 5 5 A V E -a 54 0A 1 309,-2.6 2,-0.4 48,-0.2 50,-0.2 -0.978 16.4-168.4-119.5 133.0 79.0 36.1 25.0 6 6 A A E +a 55 0A 0 48,-2.4 50,-2.9 -2,-0.4 279,-0.2 -0.991 9.7 175.8-124.4 132.1 75.2 36.4 25.3 7 7 A L E + 0 0 0 277,-0.6 2,-0.2 -2,-0.4 278,-0.1 0.251 64.3 65.0-126.7 16.1 73.1 33.7 26.9 8 8 A E E + 0 0 0 2,-0.1 279,-1.5 276,-0.0 2,-0.5 -0.629 67.6 136.1-130.9 72.5 69.4 34.5 27.2 9 9 A E E -a 57 0A 0 47,-0.9 49,-1.8 278,-0.2 2,-0.2 -0.981 38.1-155.4-126.0 114.8 68.8 34.6 23.4 10 10 A H E +a 58 0A 0 278,-2.9 2,-0.3 -2,-0.5 49,-0.2 -0.517 21.2 170.2-101.3 160.9 65.6 32.8 22.3 11 11 A F E -a 59 0A 4 47,-1.5 49,-1.0 -2,-0.2 2,-0.3 -0.875 17.5-145.8-148.4 173.8 64.2 31.1 19.2 12 12 A A - 0 0 5 24,-2.0 47,-0.0 -2,-0.3 3,-0.0 -0.960 6.8-138.3-145.8 162.0 61.1 29.1 18.6 13 13 A I >> - 0 0 3 -2,-0.3 3,-1.9 1,-0.1 4,-1.4 -0.777 43.1 -98.9-113.2 162.0 59.9 26.2 16.5 14 14 A P H 3> S+ 0 0 91 0, 0.0 4,-0.5 0, 0.0 3,-0.5 0.882 122.7 59.9 -48.7 -40.0 56.5 26.2 14.8 15 15 A E H 34 S+ 0 0 91 1,-0.2 61,-0.0 2,-0.1 48,-0.0 0.698 116.7 29.9 -62.7 -23.1 55.1 24.1 17.7 16 16 A T H X4 S+ 0 0 3 -3,-1.9 3,-1.5 2,-0.1 4,-0.4 0.420 91.0 99.3-116.5 -1.6 55.9 26.7 20.3 17 17 A L H >< S+ 0 0 14 -4,-1.4 3,-1.8 -3,-0.5 -2,-0.1 0.873 76.9 58.4 -54.1 -44.3 55.6 29.9 18.3 18 18 A Q G >< S+ 0 0 119 -4,-0.5 3,-1.5 1,-0.3 4,-0.5 0.662 87.0 77.9 -63.8 -15.5 52.1 30.8 19.5 19 19 A D G < S+ 0 0 71 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.772 97.8 45.5 -63.5 -24.8 53.4 30.9 23.1 20 20 A S G <> S+ 0 0 6 -3,-1.8 4,-0.5 -4,-0.4 -1,-0.3 0.286 89.2 96.9-100.9 8.4 54.9 34.3 22.2 21 21 A A T X4 S+ 0 0 23 -3,-1.5 3,-0.9 1,-0.2 -2,-0.1 0.993 72.1 56.0 -60.5 -72.7 51.8 35.7 20.4 22 22 A G T 34 S+ 0 0 65 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.690 91.7 79.5 -33.5 -33.7 49.9 37.7 23.1 23 23 A F T 34 S+ 0 0 65 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.927 99.9 24.5 -43.7 -68.6 53.1 39.8 23.6 24 24 A V S << S- 0 0 15 -3,-0.9 -1,-0.1 -4,-0.5 3,-0.1 -0.847 71.8-138.3-110.6 143.1 52.7 42.1 20.6 25 25 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.933 63.2 -29.1 -56.1-106.0 49.6 43.2 18.6 26 26 A G S S+ 0 0 46 3,-0.1 2,-3.6 2,-0.1 0, 0.0 -0.840 121.2 10.0-122.2 161.2 50.0 43.3 14.8 27 27 A D S > S+ 0 0 141 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 -0.193 124.3 61.6 68.5 -51.2 52.9 44.0 12.5 28 28 A Y H > S+ 0 0 59 -2,-3.6 4,-2.6 2,-0.2 -1,-0.3 0.820 100.9 54.0 -70.2 -30.1 55.1 43.8 15.5 29 29 A W H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 105.8 51.3 -68.9 -40.8 53.9 40.2 15.9 30 30 A K H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.921 113.0 46.6 -61.3 -42.4 55.0 39.5 12.3 31 31 A E H X S+ 0 0 70 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 111.8 49.3 -66.1 -44.3 58.4 40.9 13.1 32 32 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.881 109.5 52.6 -64.4 -38.0 58.7 39.0 16.4 33 33 A Q H X S+ 0 0 55 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.931 109.5 49.3 -62.4 -44.7 57.7 35.8 14.6 34 34 A H H X S+ 0 0 85 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.932 112.2 48.4 -58.6 -47.5 60.5 36.4 12.0 35 35 A R H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.0 49.9 -59.9 -45.0 63.0 37.0 14.8 36 36 A L H < S+ 0 0 0 -4,-2.6 -24,-2.0 1,-0.2 -1,-0.2 0.836 114.2 43.7 -65.0 -35.5 62.1 33.9 16.7 37 37 A L H < S+ 0 0 90 -4,-2.0 2,-0.4 -26,-0.2 -1,-0.2 0.658 100.3 86.3 -85.4 -16.8 62.3 31.6 13.7 38 38 A D < + 0 0 13 -4,-1.4 -26,-0.0 -5,-0.2 -4,-0.0 -0.714 34.0 141.5 -91.6 133.7 65.6 33.2 12.4 39 39 A I S S+ 0 0 7 -2,-0.4 5,-0.3 4,-0.1 -1,-0.2 0.583 71.6 45.3-131.4 -43.5 69.0 32.0 13.6 40 40 A Q S S+ 0 0 25 3,-0.1 -2,-0.1 4,-0.1 0, 0.0 0.658 117.4 29.4 -83.3 -19.2 71.4 32.0 10.7 41 41 A D S > S+ 0 0 106 3,-0.1 4,-2.4 4,-0.0 5,-0.2 0.742 122.5 18.0-106.2 -92.4 70.6 35.4 9.1 42 42 A T H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 125.4 53.4 -51.0 -46.3 69.4 38.6 10.8 43 43 A R H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 111.2 45.7 -56.5 -47.1 70.4 37.3 14.2 44 44 A L H > S+ 0 0 15 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.856 109.3 54.8 -67.2 -37.0 74.0 36.6 13.0 45 45 A K H X S+ 0 0 154 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.890 109.0 48.6 -64.4 -37.5 74.2 40.0 11.2 46 46 A L H X S+ 0 0 40 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.858 109.2 52.8 -70.0 -34.2 73.3 41.7 14.5 47 47 A M H <>S+ 0 0 1 -4,-1.7 5,-2.4 1,-0.2 -2,-0.2 0.898 110.2 48.4 -66.5 -39.3 75.9 39.7 16.3 48 48 A D H <5S+ 0 0 87 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.821 115.7 43.6 -70.2 -30.8 78.5 40.8 13.8 49 49 A A H <5S+ 0 0 70 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.695 117.3 45.0 -87.5 -20.0 77.5 44.4 14.1 50 50 A H T <5S- 0 0 38 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 -0.093 112.3-104.0-119.3 36.7 77.2 44.5 17.9 51 51 A G T 5 + 0 0 2 -3,-0.4 -47,-2.6 1,-0.2 2,-0.6 0.789 68.9 141.9 49.8 42.6 80.3 42.7 19.1 52 52 A I E < +a 4 0A 3 -5,-2.4 -47,-0.2 -49,-0.2 -1,-0.2 -0.955 18.6 170.2-114.6 117.5 78.8 39.3 20.0 53 53 A E E + 0 0 77 -49,-2.1 2,-0.4 -2,-0.6 -48,-0.2 0.858 68.3 37.5 -90.2 -41.0 81.0 36.3 19.2 54 54 A T E -a 5 0A 10 -50,-2.0 -48,-2.4 -7,-0.1 2,-0.5 -0.947 58.6-175.0-121.2 131.1 79.0 33.6 21.1 55 55 A M E -ab 6 95A 0 39,-2.6 41,-2.2 -2,-0.4 2,-0.8 -0.979 13.4-154.3-124.0 117.5 75.3 33.2 21.5 56 56 A I E - b 0 96A 0 -50,-2.9 -47,-0.9 -2,-0.5 41,-0.2 -0.841 25.4-148.2 -93.1 110.2 73.9 30.4 23.7 57 57 A L E +ab 9 97A 0 39,-2.7 41,-2.6 -2,-0.8 2,-0.3 -0.477 19.9 178.6 -84.3 149.5 70.5 29.7 22.3 58 58 A S E -a 10 0A 0 -49,-1.8 -47,-1.5 39,-0.2 41,-0.1 -0.994 32.8-100.3-148.5 149.7 67.3 28.6 24.1 59 59 A L E -a 11 0A 12 -2,-0.3 -47,-0.2 39,-0.3 -50,-0.0 -0.196 46.8-103.7 -63.2 159.7 63.7 27.8 23.2 60 60 A N - 0 0 0 -49,-1.0 68,-0.1 -50,-0.1 -1,-0.1 0.003 55.7 -42.3 -76.1-171.8 61.1 30.4 24.0 61 61 A A S S- 0 0 21 1,-0.2 -1,-0.1 2,-0.1 105,-0.1 -0.900 102.0 -12.9-129.8 156.5 58.6 30.4 26.9 62 62 A P S > S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 66,-0.3 -0.982 89.4 131.4 -77.9 -15.8 56.7 28.9 28.5 63 63 A A G > S+ 0 0 2 1,-0.3 3,-1.9 -47,-0.2 -2,-0.1 -0.138 78.5 13.0 47.3-121.7 57.0 26.1 25.9 64 64 A V G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.808 121.9 63.7 -54.9 -35.6 57.7 22.7 27.4 65 65 A Q G < S+ 0 0 4 -3,-1.7 67,-1.2 1,-0.3 -1,-0.3 0.671 101.5 52.6 -66.6 -14.1 56.8 23.8 30.9 66 66 A A G < S+ 0 0 31 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.226 84.1 95.6-104.9 12.2 53.2 24.5 29.9 67 67 A I < - 0 0 32 -3,-1.7 6,-0.2 -5,-0.2 37,-0.1 -0.865 52.0-173.6-104.4 99.3 52.6 21.1 28.3 68 68 A P + 0 0 43 0, 0.0 66,-2.1 0, 0.0 2,-0.7 0.746 60.9 88.6 -65.6 -24.8 50.8 19.0 31.0 69 69 A D > - 0 0 94 64,-0.2 4,-2.8 1,-0.2 5,-0.2 -0.676 69.7-151.2 -79.7 115.4 50.9 15.7 29.0 70 70 A R H > S+ 0 0 105 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.895 93.7 49.3 -51.0 -49.7 54.2 14.0 29.8 71 71 A R H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 113.5 46.1 -60.3 -42.1 54.4 12.2 26.4 72 72 A K H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 111.9 51.7 -67.1 -42.5 53.7 15.4 24.5 73 73 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.908 110.0 48.7 -60.4 -44.4 56.2 17.4 26.6 74 74 A I H X S+ 0 0 29 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.919 112.5 49.4 -62.2 -43.2 58.9 14.8 26.0 75 75 A E H X S+ 0 0 119 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.1 44.6 -62.0 -49.1 58.2 14.9 22.3 76 76 A I H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.872 112.5 51.7 -66.2 -38.1 58.3 18.7 22.0 77 77 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 23,-0.3 0.946 111.6 47.1 -63.8 -46.5 61.4 19.0 24.1 78 78 A R H X S+ 0 0 124 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 112.9 49.6 -61.5 -41.7 63.2 16.4 21.9 79 79 A R H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.901 112.2 47.0 -64.6 -42.7 62.1 18.2 18.7 80 80 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.886 113.3 49.2 -67.2 -39.0 63.2 21.6 19.9 81 81 A N H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.883 110.5 49.9 -69.2 -37.7 66.5 20.2 21.0 82 82 A D H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 111.5 48.4 -67.1 -41.8 67.1 18.4 17.7 83 83 A V H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 111.5 50.7 -62.3 -44.4 66.3 21.6 15.7 84 84 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.893 108.9 50.9 -61.4 -40.6 68.7 23.6 18.0 85 85 A A H X S+ 0 0 24 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.898 110.4 49.9 -64.1 -39.8 71.5 21.0 17.5 86 86 A E H X S+ 0 0 122 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.916 112.3 47.3 -65.1 -43.0 71.0 21.2 13.7 87 87 A E H >X S+ 0 0 28 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.898 110.8 50.5 -66.5 -41.3 71.1 25.0 13.7 88 88 A C H >< S+ 0 0 14 -4,-2.6 3,-1.1 1,-0.2 7,-0.3 0.869 103.2 61.2 -64.6 -35.6 74.2 25.2 16.0 89 89 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 93.7 64.3 -63.9 -22.1 76.0 22.8 13.6 90 90 A K H << S+ 0 0 111 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.795 127.0 8.6 -71.9 -27.7 75.6 25.3 10.8 91 91 A R XX + 0 0 98 -3,-1.1 3,-2.2 -4,-0.6 4,-2.0 -0.413 69.8 165.2-152.0 67.1 77.9 27.7 12.7 92 92 A P T 34 S+ 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.614 75.7 66.8 -60.7 -14.1 79.4 26.0 15.8 93 93 A D T 34 S+ 0 0 108 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.583 115.3 25.5 -83.8 -10.1 81.9 28.8 16.0 94 94 A R T <4 S+ 0 0 35 -3,-2.2 -39,-2.6 -6,-0.2 2,-0.4 0.608 114.5 62.1-124.3 -25.0 79.1 31.3 16.9 95 95 A F E < +b 55 0A 3 -4,-2.0 2,-0.3 -7,-0.3 -39,-0.2 -0.917 46.0 170.3-119.6 136.5 76.3 29.2 18.5 96 96 A L E -b 56 0A 38 -41,-2.2 -39,-2.7 -2,-0.4 2,-0.4 -0.776 25.5-126.5-125.1 170.4 76.0 27.1 21.6 97 97 A A E -b 57 0A 3 24,-0.3 26,-2.2 -2,-0.3 27,-0.6 -0.963 12.9-155.5-137.4 146.5 72.8 25.5 23.1 98 98 A F E -c 124 0B 2 -41,-2.6 27,-0.3 -2,-0.4 -39,-0.3 -0.881 36.5-118.0-105.3 138.8 70.8 25.2 26.3 99 99 A A E -c 125 0B 1 25,-2.9 27,-2.3 -2,-0.4 2,-0.4 -0.511 11.7-137.0 -82.0 146.5 68.5 22.2 26.5 100 100 A A - 0 0 8 -23,-0.3 27,-0.1 -2,-0.2 -19,-0.1 -0.846 29.5-155.3 -95.7 136.7 64.7 22.3 26.8 101 101 A L - 0 0 0 -2,-0.4 2,-1.7 25,-0.4 8,-0.1 -0.954 24.3-139.9-126.9 138.4 63.6 19.8 29.4 102 102 A P > + 0 0 2 0, 0.0 3,-1.8 0, 0.0 7,-0.4 -0.500 34.4 166.9 -87.1 67.5 60.3 17.9 30.0 103 103 A L T 3 + 0 0 0 -2,-1.7 28,-0.1 1,-0.3 -38,-0.1 0.469 59.8 82.4 -66.2 -1.0 60.4 18.3 33.8 104 104 A Q T 3 S+ 0 0 2 1,-0.3 -1,-0.3 -37,-0.1 -34,-0.1 0.578 100.6 44.7 -77.3 -3.0 56.8 17.2 34.3 105 105 A D S <> S- 0 0 26 -3,-1.8 4,-2.5 1,-0.1 3,-0.4 -0.796 79.6-165.3-137.8 88.6 58.6 13.7 34.1 106 106 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.849 87.8 46.4 -41.5 -53.5 61.8 13.9 36.2 107 107 A D H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 113.5 49.1 -62.2 -41.2 63.3 10.7 34.8 108 108 A A H > S+ 0 0 15 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.892 111.3 49.6 -65.5 -39.7 62.6 11.7 31.2 109 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -7,-0.4 -2,-0.2 0.894 109.7 51.5 -65.8 -40.6 64.1 15.2 31.8 110 110 A T H X S+ 0 0 21 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.929 112.1 46.6 -62.3 -44.6 67.2 13.7 33.3 111 111 A E H X S+ 0 0 125 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 111.7 50.1 -65.7 -40.6 67.6 11.4 30.3 112 112 A E H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.867 108.7 52.6 -67.2 -35.9 67.0 14.2 27.8 113 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.919 109.6 49.4 -65.1 -41.2 69.6 16.4 29.6 114 114 A Q H X>S+ 0 0 61 -4,-1.9 4,-2.5 2,-0.2 5,-0.6 0.909 111.3 49.6 -63.3 -41.2 72.1 13.6 29.3 115 115 A R H X>S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 5,-1.4 0.949 113.2 46.0 -62.9 -48.3 71.3 13.2 25.6 116 116 A C H <5S+ 0 0 0 -4,-2.7 6,-2.9 3,-0.2 4,-0.4 0.912 120.6 37.8 -61.0 -46.1 71.7 16.9 25.0 117 117 A V H X5S+ 0 0 24 -4,-2.7 4,-0.7 4,-0.3 -2,-0.2 0.974 125.7 33.8 -71.9 -56.5 75.0 17.3 26.9 118 118 A N H <5S+ 0 0 110 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.856 134.7 22.7 -70.8 -37.9 76.7 14.0 26.1 119 119 A D T < - 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0 0 6 24,-2.0 47,-0.0 -2,-0.3 3,-0.0 -0.931 5.4-141.0-139.6 162.5 48.6 47.5 69.2 339 13 B I >> - 0 0 5 -2,-0.3 3,-2.1 1,-0.0 4,-1.5 -0.808 43.1 -98.2-115.4 160.5 45.4 47.6 71.2 340 14 B P H 3> S+ 0 0 100 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.875 122.9 58.5 -46.4 -41.4 44.1 44.4 73.0 341 15 B E H 34 S+ 0 0 94 1,-0.2 61,-0.0 2,-0.1 48,-0.0 0.677 116.9 30.5 -64.8 -20.2 41.7 43.8 70.1 342 16 B T H X4 S+ 0 0 3 -3,-2.1 3,-1.5 2,-0.1 4,-0.3 0.431 90.1 99.4-118.4 -2.3 44.5 43.6 67.5 343 17 B L H >< S+ 0 0 15 -4,-1.5 3,-2.0 -3,-0.4 4,-0.3 0.894 76.5 58.9 -52.3 -48.3 47.4 42.2 69.6 344 18 B Q G >< S+ 0 0 119 -4,-0.5 3,-1.4 1,-0.3 4,-0.3 0.686 87.3 77.8 -59.2 -18.5 47.0 38.6 68.5 345 19 B D G < S+ 0 0 69 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.771 95.6 47.9 -62.0 -25.5 47.6 39.7 64.9 346 20 B S G X> S+ 0 0 2 -3,-2.0 3,-1.7 -4,-0.3 4,-0.6 0.455 81.1 99.3 -95.1 -1.4 51.3 39.9 65.6 347 21 B A T <4 S+ 0 0 36 -3,-1.4 3,-0.4 1,-0.3 -1,-0.2 0.798 84.5 48.1 -55.0 -32.7 51.5 36.5 67.3 348 22 B G T 34 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.513 90.1 82.0 -89.0 -3.8 52.9 34.9 64.2 349 23 B F T <4 S+ 0 0 46 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.831 101.2 25.2 -68.8 -33.5 55.5 37.5 63.5 350 24 B V S < S- 0 0 11 -4,-0.6 -1,-0.1 -3,-0.4 3,-0.1 -0.933 87.4-102.6-132.5 155.8 58.0 36.0 66.0 351 25 B P - 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j 0 422D 0 -50,-2.7 -47,-0.9 -2,-0.5 41,-0.2 -0.853 25.6-148.2 -94.6 109.2 54.6 58.9 64.0 383 57 B L E +ij 335 423D 0 39,-2.6 41,-2.4 -2,-0.9 2,-0.3 -0.433 19.5 179.9 -82.2 151.1 52.7 55.9 65.4 384 58 B S E -i 336 0D 1 -49,-1.8 -47,-1.7 39,-0.2 41,-0.1 -0.994 32.1-101.1-149.4 149.0 50.5 53.4 63.6 385 59 B L E -i 337 0D 12 -2,-0.3 -47,-0.2 39,-0.3 22,-0.0 -0.206 47.4-102.6 -63.4 159.8 48.4 50.4 64.6 386 60 B N - 0 0 0 -49,-1.1 68,-0.1 -50,-0.1 -1,-0.1 -0.003 55.6 -43.8 -76.2-174.0 49.9 46.9 63.9 387 61 B A S S- 0 0 19 1,-0.2 -1,-0.1 2,-0.1 105,-0.1 -0.891 102.8 -12.9-125.8 154.6 49.0 44.6 61.0 388 62 B P S > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 66,-0.3 -0.985 89.6 131.7 -80.3 -13.4 46.8 43.4 59.4 389 63 B A G > S+ 0 0 3 1,-0.3 3,-1.9 -47,-0.2 -2,-0.1 -0.125 79.2 13.0 45.5-121.0 44.4 44.7 62.0 390 64 B V G > S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.810 122.2 63.6 -55.3 -35.4 41.5 46.5 60.5 391 65 B Q G < S+ 0 0 5 -3,-1.8 67,-1.2 1,-0.3 -1,-0.3 0.672 101.8 52.4 -66.5 -13.9 42.2 45.3 57.0 392 66 B A G < S+ 0 0 29 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.240 82.7 100.1-104.9 12.1 41.5 41.7 58.2 393 67 B I < - 0 0 30 -3,-1.7 6,-0.2 -5,-0.2 37,-0.1 -0.845 51.8-170.8-102.2 99.7 38.1 42.4 59.7 394 68 B P + 0 0 42 0, 0.0 66,-2.0 0, 0.0 2,-0.6 0.800 63.0 83.5 -58.1 -37.2 35.5 41.2 57.2 395 69 B D > - 0 0 95 64,-0.2 4,-2.8 1,-0.2 5,-0.2 -0.632 69.7-151.2 -78.3 118.1 32.4 42.7 59.0 396 70 B R H > S+ 0 0 111 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.899 94.6 50.1 -52.2 -50.1 32.0 46.4 58.1 397 71 B R H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 114.1 44.8 -56.4 -49.6 30.4 47.3 61.4 398 72 B K H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 111.8 53.0 -62.7 -41.1 33.1 45.6 63.4 399 73 B A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.924 109.4 48.5 -60.9 -45.5 35.9 47.1 61.2 400 74 B I H X S+ 0 0 45 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.891 112.1 50.7 -62.0 -39.5 34.5 50.6 61.7 401 75 B E H X S+ 0 0 81 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 111.9 44.8 -64.9 -48.0 34.3 50.0 65.5 402 76 B I H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.888 112.3 52.2 -65.9 -39.6 37.9 48.8 65.8 403 77 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 23,-0.3 0.944 111.3 46.8 -61.8 -47.8 39.3 51.5 63.7 404 78 B R H X S+ 0 0 93 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.909 114.3 47.4 -61.4 -42.1 37.6 54.2 65.7 405 79 B R H X S+ 0 0 85 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 112.5 48.6 -65.1 -46.5 38.7 52.6 69.0 406 80 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.883 113.7 47.8 -61.1 -38.2 42.3 52.3 67.8 407 81 B N H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.875 110.7 50.2 -71.7 -36.5 42.3 55.9 66.6 408 82 B D H X S+ 0 0 68 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 111.9 48.2 -67.2 -40.8 40.8 57.2 69.9 409 83 B V H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 111.2 50.7 -63.6 -44.7 43.4 55.3 71.9 410 84 B L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 109.1 51.0 -61.3 -39.5 46.2 56.6 69.7 411 85 B A H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 110.0 50.5 -64.7 -40.5 44.9 60.2 70.1 412 86 B E H X S+ 0 0 51 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.918 111.7 47.4 -63.4 -43.9 44.9 59.7 73.9 413 87 B E H >X S+ 0 0 34 -4,-2.5 3,-0.7 1,-0.2 4,-0.7 0.888 111.3 50.0 -66.1 -40.0 48.5 58.3 73.8 414 88 B C H >< S+ 0 0 15 -4,-2.4 3,-1.1 1,-0.2 7,-0.3 0.883 103.5 60.5 -65.6 -37.9 49.8 61.2 71.6 415 89 B A H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.725 96.7 62.0 -61.9 -22.5 48.2 63.8 73.9 416 90 B K H << S+ 0 0 123 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.800 124.8 14.0 -74.4 -29.4 50.4 62.5 76.8 417 91 B R S XX S+ 0 0 120 -3,-1.1 3,-2.2 -4,-0.7 4,-2.1 -0.446 72.3 164.3-145.2 64.6 53.5 63.4 74.9 418 92 B P T 34 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.620 74.1 63.4 -58.1 -17.5 52.5 65.8 72.1 419 93 B D T 34 S+ 0 0 97 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.520 116.6 26.2 -87.0 -5.9 56.1 66.9 71.6 420 94 B R T <4 S+ 0 0 31 -3,-2.2 -39,-2.8 -6,-0.2 2,-0.4 0.608 111.7 64.1-127.8 -25.2 57.2 63.5 70.6 421 95 B F E < +j 381 0D 3 -4,-2.1 2,-0.3 -7,-0.3 -39,-0.2 -0.908 45.0 169.8-117.6 136.7 54.3 61.5 69.1 422 96 B L E -j 382 0D 40 -41,-2.1 -39,-2.6 -2,-0.4 2,-0.4 -0.782 26.0-126.7-126.1 169.8 52.2 62.1 66.0 423 97 B A E -j 383 0D 4 24,-0.3 26,-2.3 -2,-0.3 27,-0.6 -0.961 13.2-154.5-138.0 148.5 49.7 59.7 64.5 424 98 B F E -k 450 0E 2 -41,-2.4 27,-0.3 -2,-0.4 -39,-0.3 -0.888 36.6-117.5-106.7 138.0 48.6 57.8 61.4 425 99 B A E -k 451 0E 1 25,-2.8 27,-2.4 -2,-0.4 2,-0.4 -0.488 12.4-137.3 -80.8 146.5 44.9 56.9 61.1 426 100 B A - 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0 0 6 22,-2.3 3,-0.0 -2,-0.3 45,-0.0 -0.928 6.1-142.2-140.8 164.0 111.8 51.2 61.7 664 13 C I >> - 0 0 5 -2,-0.3 4,-2.4 1,-0.1 3,-1.1 -0.834 42.0 -99.6-119.0 160.2 115.4 50.7 62.9 665 14 C P H 3> S+ 0 0 94 0, 0.0 4,-0.6 0, 0.0 3,-0.1 0.899 122.7 57.0 -46.7 -44.6 117.2 53.2 65.1 666 15 C E H 34 S+ 0 0 98 1,-0.2 3,-0.1 2,-0.1 59,-0.0 0.812 120.9 26.0 -57.8 -35.5 118.9 54.7 62.1 667 16 C T H X4 S+ 0 0 2 -3,-1.1 3,-2.0 1,-0.1 4,-0.5 0.499 93.8 98.4-107.2 -7.0 115.7 55.6 60.3 668 17 C L H >< S+ 0 0 15 -4,-2.4 3,-1.2 1,-0.3 -2,-0.1 0.826 78.2 60.2 -49.3 -37.5 113.5 55.9 63.4 669 18 C Q T 3< S+ 0 0 139 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.741 86.7 73.9 -66.2 -23.8 113.8 59.6 63.4 670 19 C D T < 0 0 64 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 360.0 360.0 -60.8 -26.2 112.3 59.9 59.9 671 20 C S < 0 0 42 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.825 360.0 360.0 -87.4 360.0 108.9 59.2 61.5 672 ! 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 0.0 673 24 C V 0 0 135 0, 0.0 5,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 133.5 104.3 67.1 68.8 674 25 C P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.307 360.0 72.3 -65.5 148.0 106.0 65.8 72.1 675 26 C G S > S- 0 0 45 1,-0.1 4,-1.6 2,-0.0 5,-0.1 -0.932 95.0 -37.1 144.1-167.6 104.0 63.6 74.4 676 27 C D H > S+ 0 0 115 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.812 126.1 55.9 -63.8 -32.6 102.4 60.2 74.9 677 28 C Y H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 106.7 49.0 -68.2 -42.0 101.4 59.7 71.3 678 29 C W H > S+ 0 0 77 -5,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.901 111.6 50.3 -62.6 -40.5 104.9 60.3 70.0 679 30 C K H X S+ 0 0 161 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.907 110.4 49.8 -63.7 -42.4 106.3 57.8 72.5 680 31 C E H X S+ 0 0 69 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 107.9 53.0 -64.4 -42.1 103.7 55.2 71.5 681 32 C L H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 107.6 51.1 -62.1 -42.9 104.4 55.6 67.8 682 33 C Q H X S+ 0 0 55 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.927 109.9 50.1 -60.1 -44.7 108.2 54.9 68.3 683 34 C H H X S+ 0 0 94 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.918 110.3 50.4 -59.7 -44.4 107.4 51.8 70.3 684 35 C R H < S+ 0 0 19 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.893 108.0 52.4 -60.9 -43.1 105.1 50.5 67.5 685 36 C L H < S+ 0 0 0 -4,-2.3 -22,-2.3 1,-0.2 -1,-0.2 0.825 111.6 46.3 -63.9 -32.6 107.7 51.1 64.8 686 37 C L H < S+ 0 0 92 -4,-1.6 2,-0.4 -24,-0.2 -1,-0.2 0.623 99.7 85.3 -86.0 -14.4 110.3 49.1 66.7 687 38 C D < + 0 0 19 -4,-1.1 -24,-0.0 -3,-0.4 -4,-0.0 -0.723 34.8 142.5 -94.4 138.9 108.0 46.2 67.5 688 39 C I S S+ 0 0 10 -2,-0.4 5,-0.4 -26,-0.1 -1,-0.1 0.551 71.8 43.4-134.4 -48.9 107.3 43.3 65.2 689 40 C Q S S+ 0 0 33 3,-0.1 -2,-0.1 4,-0.1 0, 0.0 0.604 119.1 31.5 -82.7 -13.6 107.0 40.1 67.1 690 41 C D S > S+ 0 0 76 3,-0.1 4,-2.5 4,-0.0 5,-0.2 0.718 121.5 19.3-108.4 -92.3 104.8 41.3 70.0 691 42 C T H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 126.3 50.9 -48.3 -52.1 102.2 44.0 69.8 692 43 C R H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 111.7 46.5 -54.3 -48.6 101.9 43.8 66.0 693 44 C L H > S+ 0 0 21 -5,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.884 109.0 54.6 -65.6 -39.0 101.4 40.1 66.0 694 45 C K H X S+ 0 0 133 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.879 109.6 47.9 -63.1 -36.3 98.8 40.2 68.8 695 46 C L H X S+ 0 0 40 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.866 109.4 53.0 -71.6 -36.1 96.8 42.7 66.7 696 47 C M H <>S+ 0 0 1 -4,-1.9 5,-2.3 1,-0.2 -2,-0.2 0.909 110.4 47.9 -63.9 -41.8 97.1 40.5 63.6 697 48 C D H <5S+ 0 0 94 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.794 115.0 45.9 -69.1 -27.9 95.7 37.6 65.6 698 49 C A H <5S+ 0 0 68 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.722 116.5 43.8 -87.0 -22.2 92.9 39.7 67.0 699 50 C H T <5S- 0 0 38 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 -0.167 111.8-101.5-121.0 42.5 92.0 41.3 63.6 700 51 C G T 5S+ 0 0 2 -3,-0.4 -45,-3.0 1,-0.2 2,-0.6 0.745 70.5 142.1 48.9 36.9 92.0 38.5 61.0 701 52 C I E < +q 655 0G 2 -5,-2.3 -45,-0.2 -47,-0.2 -1,-0.2 -0.928 17.2 167.7-110.4 113.7 95.3 39.2 59.5 702 53 C E E + 0 0 72 -47,-2.0 2,-0.5 -2,-0.6 -46,-0.2 0.857 67.6 38.0 -88.7 -42.8 97.3 36.1 58.5 703 54 C T E -q 656 0G 9 -48,-2.1 -46,-2.6 -7,-0.1 2,-0.5 -0.947 59.7-175.6-119.5 127.9 100.0 37.7 56.4 704 55 C M E -qr 657 744G 0 39,-2.7 41,-2.3 -2,-0.5 2,-0.8 -0.975 13.2-154.6-121.5 118.8 101.8 41.0 56.9 705 56 C I E - 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