==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAY-05 1ZKM . COMPND 2 MOLECULE: ADENYLYLTRANSFERASE THIF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.M.DUDA,H.WALDEN,J.SFONDOURIS,B.A.SCHULMAN . 954 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 733 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 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 . 98 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.8 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 0 4 0 0 5 6 2 3 4 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 4 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 . 5 0 1 2 3 2 4 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 0 0 0 0 1 1 0 0 0 0 0 0 1 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 98 0, 0.0 2,-0.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0-164.9 -60.1 205.3 1.8 2 2 A N > - 0 0 88 1,-0.1 4,-0.7 4,-0.0 0, 0.0 -0.251 360.0-130.4 -79.9 165.8 -63.7 206.0 1.0 3 3 A D H > S+ 0 0 136 2,-0.2 4,-0.7 3,-0.1 -1,-0.1 0.593 114.0 47.6 -86.9 -16.2 -66.1 208.6 2.5 4 4 A R H >> S+ 0 0 131 2,-0.2 4,-2.1 3,-0.1 3,-0.9 0.903 106.5 53.7 -86.2 -54.7 -68.6 205.8 2.9 5 5 A D H 3> S+ 0 0 31 1,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.850 103.9 61.1 -47.4 -35.6 -66.2 203.4 4.5 6 6 A F H 3< S+ 0 0 89 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.943 104.4 46.4 -58.0 -47.8 -65.6 206.3 6.8 7 7 A M H X< S+ 0 0 98 -3,-0.9 3,-1.1 -4,-0.7 4,-0.3 0.940 113.9 47.3 -61.1 -48.1 -69.3 206.1 7.9 8 8 A R H 3< S+ 0 0 6 -4,-2.1 3,-0.4 1,-0.3 306,-0.2 0.934 121.2 36.2 -59.0 -49.2 -69.2 202.3 8.3 9 9 A Y T >X S+ 0 0 2 -4,-3.1 4,-2.8 -5,-0.2 3,-1.5 0.271 86.1 117.9 -88.5 14.1 -66.0 202.3 10.3 10 10 A S H <> + 0 0 9 -3,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.866 69.2 53.4 -47.7 -48.8 -67.0 205.6 12.0 11 11 A R H 34 S+ 0 0 71 -3,-0.4 412,-0.8 -4,-0.3 -1,-0.3 0.697 116.4 38.1 -64.6 -21.9 -67.1 204.2 15.5 12 12 A Q H X4 S+ 0 0 0 -3,-1.5 3,-2.3 410,-0.2 7,-0.9 0.860 114.3 52.1 -92.5 -47.6 -63.6 202.8 15.3 13 13 A I H 3< S+ 0 0 21 -4,-2.8 7,-0.3 1,-0.3 -2,-0.2 0.849 102.5 61.8 -56.4 -36.3 -62.0 205.7 13.3 14 14 A L T 3< S+ 0 0 103 -4,-2.3 2,-0.6 -5,-0.3 -1,-0.3 0.529 88.0 95.4 -68.4 -5.9 -63.5 208.0 15.9 15 15 A L S X> S- 0 0 17 -3,-2.3 4,-2.6 1,-0.1 3,-2.4 -0.815 73.0-142.7 -96.3 122.3 -61.3 206.2 18.5 16 16 A D T 34 S+ 0 0 155 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.868 99.6 53.9 -42.1 -53.6 -57.9 207.7 19.3 17 17 A D T 34 S+ 0 0 70 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.577 125.6 22.1 -65.1 -9.6 -56.2 204.3 19.6 18 18 A I T <> S+ 0 0 4 -3,-2.4 4,-2.2 -6,-0.3 5,-0.5 0.692 83.5 148.9-118.6 -58.9 -57.3 203.2 16.1 19 19 A A H X S- 0 0 25 -4,-2.6 4,-2.4 -7,-0.9 5,-0.2 0.257 74.5 -46.0 43.8-174.3 -58.2 206.3 14.0 20 20 A L H > S+ 0 0 94 -7,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.813 136.9 56.5 -54.1 -35.6 -57.8 206.3 10.3 21 21 A D H >> S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 3,-1.1 0.993 111.0 38.8 -61.0 -65.5 -54.3 204.8 10.4 22 22 A G H 3X S+ 0 0 4 -4,-2.2 4,-3.6 1,-0.3 5,-0.2 0.886 111.2 61.0 -52.5 -42.8 -55.2 201.6 12.3 23 23 A Q H 3X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.5 -1,-0.3 0.837 107.0 45.1 -55.6 -34.4 -58.4 201.4 10.3 24 24 A Q H < S+ 0 0 0 -4,-3.6 27,-3.4 1,-0.2 3,-1.2 0.949 111.3 48.9 -57.7 -48.1 -57.2 196.6 9.8 27 27 A L H 3< S+ 0 0 34 -4,-2.0 -1,-0.2 25,-0.3 -2,-0.2 0.793 113.9 46.2 -63.0 -27.9 -58.3 196.7 6.2 28 28 A D H 3< S+ 0 0 107 -4,-2.1 -1,-0.3 25,-0.1 -2,-0.2 0.503 99.8 96.4 -91.8 -5.0 -54.8 195.6 5.1 29 29 A S << - 0 0 12 -3,-1.2 25,-2.5 -4,-0.8 2,-0.4 -0.462 58.6-150.9 -88.8 157.8 -54.7 192.8 7.7 30 30 A Q E -a 54 0A 39 23,-0.2 90,-1.9 -2,-0.1 91,-0.7 -0.964 9.3-167.6-126.8 144.4 -55.5 189.1 7.3 31 31 A V E -ab 55 121A 0 23,-1.7 25,-2.6 -2,-0.4 2,-0.5 -0.993 10.9-151.6-138.8 131.2 -56.8 186.7 10.0 32 32 A L E -ab 56 122A 2 89,-1.7 91,-2.9 -2,-0.4 2,-0.5 -0.858 10.5-170.4-101.0 129.5 -57.1 183.0 10.1 33 33 A I E -ab 57 123A 0 23,-2.7 25,-2.2 -2,-0.5 2,-0.8 -0.928 5.4-162.3-123.2 104.1 -59.9 181.5 12.2 34 34 A I E +ab 58 124A 7 89,-2.1 91,-2.5 -2,-0.5 25,-0.2 -0.790 67.9 19.8 -90.2 113.3 -59.7 177.8 12.7 35 35 A G - 0 0 7 23,-3.3 2,-0.3 -2,-0.8 24,-0.2 0.512 62.0-149.3 97.4 119.6 -63.1 176.5 13.8 36 36 A L + 0 0 0 4,-0.1 -1,-0.1 3,-0.1 90,-0.1 -0.539 56.0 106.3-119.4 66.3 -66.4 178.4 13.5 37 37 A G S > S- 0 0 11 88,-0.5 4,-1.3 -2,-0.3 36,-0.2 0.184 93.4 -41.7-112.2-131.7 -68.4 177.3 16.5 38 38 A G T 4 S+ 0 0 5 33,-0.1 160,-0.3 2,-0.1 34,-0.1 0.662 142.6 39.0 -76.2 -13.5 -69.5 178.9 19.7 39 39 A L T 4 S+ 0 0 1 86,-0.3 4,-0.4 159,-0.1 162,-0.1 0.857 122.3 35.0 -99.2 -51.1 -66.0 180.3 19.9 40 40 A G T > S+ 0 0 0 85,-0.5 4,-2.8 1,-0.2 5,-0.2 0.718 106.0 70.9 -79.4 -22.8 -65.0 181.3 16.3 41 41 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.955 105.0 35.2 -61.3 -55.0 -68.5 182.4 15.3 42 42 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.685 115.2 61.5 -76.4 -11.0 -68.7 185.6 17.3 43 43 A A H > S+ 0 0 0 -4,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.952 109.3 39.2 -73.3 -49.1 -65.0 186.0 16.6 44 44 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.873 112.0 58.1 -66.3 -39.7 -65.6 186.2 12.9 45 45 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.930 111.5 40.6 -58.7 -46.7 -68.7 188.2 13.2 46 46 A Y H X S+ 0 0 1 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.772 112.4 54.4 -75.0 -28.1 -66.9 191.0 15.1 47 47 A L H >X>S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 3,-0.9 0.965 109.0 47.5 -71.3 -47.2 -63.8 191.0 13.0 48 48 A A H ><5S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.962 112.3 49.1 -53.9 -56.6 -65.6 191.4 9.7 49 49 A G H 3<5S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.679 107.4 56.6 -58.5 -17.6 -67.7 194.3 11.1 50 50 A A H <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.589 121.3-110.2 -87.6 -14.7 -64.5 195.8 12.4 51 51 A G T <<5 + 0 0 0 -3,-2.3 2,-0.3 -4,-0.8 -3,-0.2 0.710 46.6 177.7 95.2 22.2 -63.2 195.8 8.9 52 52 A V < - 0 0 0 -5,-2.0 -25,-0.3 1,-0.2 -1,-0.2 -0.450 30.1-135.2 -60.8 119.1 -60.5 193.2 9.0 53 53 A G S S+ 0 0 9 -27,-3.4 46,-1.6 -2,-0.3 2,-0.4 0.873 79.4 19.9 -41.3 -58.3 -59.3 193.1 5.4 54 54 A T E -ac 30 99A 32 -25,-2.5 -23,-1.7 -28,-0.3 2,-0.4 -0.942 61.6-174.2-124.7 145.0 -59.1 189.4 5.0 55 55 A L E -ac 31 100A 0 44,-1.5 46,-2.5 -2,-0.4 2,-0.7 -0.966 7.1-164.0-139.5 119.2 -60.7 186.5 6.8 56 56 A V E -ac 32 101A 16 -25,-2.6 -23,-2.7 -2,-0.4 2,-0.6 -0.906 10.4-163.2-105.8 112.8 -60.0 182.8 6.2 57 57 A L E -ac 33 102A 0 44,-2.7 46,-2.2 -2,-0.7 2,-0.5 -0.866 7.6-175.0-101.1 116.1 -62.7 180.6 7.8 58 58 A A E +ac 34 103A 2 -25,-2.2 -23,-3.3 -2,-0.6 2,-0.2 -0.947 21.1 136.1-114.5 124.1 -61.7 177.0 8.2 59 59 A D - 0 0 20 44,-2.0 25,-0.6 -2,-0.5 47,-0.1 -0.801 34.6-161.0-168.7 124.3 -64.2 174.4 9.5 60 60 A D + 0 0 87 -2,-0.2 2,-0.2 44,-0.1 46,-0.1 0.312 63.9 89.2 -92.7 9.1 -65.0 170.9 8.3 61 61 A D - 0 0 68 44,-0.1 22,-2.6 1,-0.1 23,-0.3 -0.637 66.0-124.2-110.5 165.0 -68.4 170.5 10.0 62 62 A D B -P 82 0B 54 20,-0.3 2,-0.6 -2,-0.2 17,-0.1 -0.415 38.3 -88.5 -95.3 173.5 -72.1 171.2 9.1 63 63 A V - 0 0 0 18,-1.6 17,-3.9 15,-0.5 2,-0.3 -0.756 48.6-174.5 -87.4 120.0 -74.7 173.2 10.9 64 64 A H >> - 0 0 62 -2,-0.6 3,-2.9 15,-0.2 4,-0.9 -0.892 37.8-119.4-117.2 147.0 -76.6 171.0 13.5 65 65 A L T 34 S+ 0 0 30 -2,-0.3 4,-0.3 1,-0.3 3,-0.3 0.838 113.9 66.3 -48.8 -35.6 -79.5 171.9 15.6 66 66 A S T 34 S+ 0 0 20 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.747 99.1 54.7 -57.8 -25.0 -77.3 171.2 18.6 67 67 A N T X> S+ 0 0 10 -3,-2.9 3,-2.7 1,-0.2 4,-2.3 0.881 81.8 81.2 -77.9 -44.8 -75.2 174.3 17.6 68 68 A L T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.590 79.6 71.2 -42.8 -16.7 -77.8 177.0 17.4 69 69 A Q T 34 S+ 0 0 1 -3,-0.4 -1,-0.3 -4,-0.3 122,-0.2 0.688 123.2 2.9 -80.1 -13.8 -77.7 177.6 21.2 70 70 A R T <4 S+ 0 0 30 -3,-2.7 2,-1.6 1,-0.1 -2,-0.2 0.500 110.9 83.0-140.8 -21.5 -74.2 179.2 21.1 71 71 A Q >< + 0 0 8 -4,-2.3 3,-1.0 1,-0.2 -33,-0.1 -0.663 58.0 177.2 -91.6 77.3 -73.1 179.4 17.5 72 72 A I T 3 + 0 0 4 -2,-1.6 -1,-0.2 1,-0.2 -34,-0.1 0.610 64.2 72.9 -58.1 -21.9 -75.0 182.6 17.0 73 73 A L T 3 S+ 0 0 2 -36,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.912 90.9 71.6 -63.0 -41.1 -73.9 183.2 13.4 74 74 A F < - 0 0 1 -3,-1.0 2,-0.3 -7,-0.1 3,-0.0 -0.143 65.2-152.4 -76.5 167.1 -76.1 180.3 12.1 75 75 A T > - 0 0 1 1,-0.1 3,-1.9 264,-0.0 264,-0.3 -0.898 34.1-106.8-133.9 159.2 -79.9 180.0 11.7 76 76 A T G > S+ 0 0 27 262,-2.7 3,-2.1 -2,-0.3 263,-0.1 0.883 118.8 63.3 -57.3 -37.8 -82.1 176.9 11.9 77 77 A E G 3 S+ 0 0 131 261,-0.6 -1,-0.3 1,-0.3 262,-0.1 0.657 94.1 63.9 -59.9 -17.1 -82.6 177.1 8.1 78 78 A D G X S+ 0 0 20 -3,-1.9 3,-2.0 2,-0.1 -15,-0.5 0.401 73.6 137.4 -88.9 2.1 -78.8 176.6 7.7 79 79 A I T < S+ 0 0 59 -3,-2.1 -15,-0.2 1,-0.3 -3,-0.0 -0.190 71.9 10.0 -55.8 138.1 -79.0 173.1 9.2 80 80 A D T 3 S+ 0 0 113 -17,-3.9 -1,-0.3 1,-0.3 -16,-0.1 0.457 99.6 119.3 72.6 3.2 -76.9 170.4 7.4 81 81 A R S < S- 0 0 85 -3,-2.0 -18,-1.6 -18,-0.2 -1,-0.3 -0.784 78.5 -93.1 -96.6 140.4 -75.2 173.1 5.3 82 82 A P B > -P 62 0B 18 0, 0.0 4,-1.8 0, 0.0 5,-0.3 -0.303 29.3-136.3 -58.8 131.1 -71.3 173.4 5.7 83 83 A K H > S+ 0 0 12 -22,-2.6 4,-3.2 1,-0.2 5,-0.2 0.922 98.4 55.6 -52.1 -57.9 -70.3 175.9 8.4 84 84 A S H > S+ 0 0 0 -25,-0.6 4,-2.6 -23,-0.3 5,-0.3 0.888 113.5 42.6 -46.7 -48.2 -67.5 177.6 6.5 85 85 A Q H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.991 114.8 46.2 -60.8 -75.7 -69.8 178.4 3.6 86 86 A V H X S+ 0 0 5 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.785 116.0 51.6 -33.4 -40.8 -72.8 179.6 5.5 87 87 A S H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.3 3,-0.3 0.993 110.5 42.3 -64.1 -65.5 -70.4 181.6 7.6 88 88 A Q H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 115.0 55.3 -45.8 -49.0 -68.6 183.5 4.8 89 89 A Q H X S+ 0 0 77 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.889 111.8 39.5 -53.5 -49.9 -71.9 184.0 3.2 90 90 A R H X S+ 0 0 15 -4,-2.1 4,-0.6 -3,-0.3 -1,-0.2 0.848 113.5 54.6 -73.4 -34.5 -73.6 185.6 6.2 91 91 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 3,-0.5 0.857 105.0 56.2 -65.9 -33.3 -70.5 187.6 7.1 92 92 A T H < S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.955 100.1 55.8 -61.2 -52.6 -70.5 189.0 3.5 93 93 A Q H < S+ 0 0 63 -4,-1.5 228,-3.0 1,-0.2 229,-0.6 0.739 113.3 46.3 -52.4 -21.8 -74.1 190.3 3.9 94 94 A L H < S+ 0 0 2 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.923 132.0 9.5 -87.1 -54.6 -72.5 192.1 6.9 95 95 A N >< + 0 0 1 -4,-3.0 3,-1.0 1,-0.1 -1,-0.2 -0.783 60.6 169.1-133.1 92.5 -69.3 193.5 5.3 96 96 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.807 73.0 73.4 -68.6 -31.4 -69.1 193.1 1.5 97 97 A D T 3 S+ 0 0 81 -5,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.305 92.3 71.9 -67.7 9.4 -66.1 195.4 1.3 98 98 A I S < S- 0 0 15 -3,-1.0 2,-0.3 -6,-0.1 -44,-0.2 -0.955 83.1-117.1-130.0 147.9 -64.0 192.6 2.8 99 99 A Q E -c 54 0A 129 -46,-1.6 -44,-1.5 -2,-0.3 2,-0.4 -0.671 26.8-173.0 -87.5 137.5 -62.7 189.3 1.4 100 100 A L E -c 55 0A 17 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.2 -0.977 4.0-165.1-132.8 118.1 -63.9 186.1 3.0 101 101 A T E -c 56 0A 53 -46,-2.5 -44,-2.7 -2,-0.4 2,-0.5 -0.783 7.4-152.0-101.5 146.1 -62.5 182.7 2.1 102 102 A A E -c 57 0A 27 -2,-0.3 2,-0.7 -46,-0.2 -44,-0.2 -0.817 5.3-166.5-126.0 97.3 -64.2 179.4 3.2 103 103 A L E -c 58 0A 41 -46,-2.2 -44,-2.0 -2,-0.5 2,-0.6 -0.685 3.4-166.9 -81.3 113.2 -62.1 176.3 3.7 104 104 A Q + 0 0 105 -2,-0.7 2,-0.2 -46,-0.2 -44,-0.1 -0.287 64.5 72.3 -93.5 47.9 -64.4 173.3 3.8 105 105 A Q S S- 0 0 77 -2,-0.6 2,-0.6 -44,-0.0 -46,-0.1 -0.743 90.8 -89.3-142.5-171.2 -61.6 171.1 5.2 106 106 A R - 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0 0 80 1,-0.0 4,-2.0 0, 0.0 5,-0.2 -0.891 360.0 -88.2-145.1 175.4 -32.2 195.2 75.5 481 3 C D H > S+ 0 0 143 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.767 119.9 54.7 -54.4 -32.4 -30.2 192.1 74.4 482 4 C R H >> S+ 0 0 128 2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.992 110.6 40.3 -67.6 -65.0 -33.2 189.9 75.4 483 5 C D H >> S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 3,-1.1 0.964 110.8 60.4 -44.8 -66.9 -35.9 191.5 73.3 484 6 C F H 3< S+ 0 0 93 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.761 105.3 47.3 -28.6 -49.1 -33.5 192.0 70.4 485 7 C M H X< S+ 0 0 104 -4,-1.2 3,-0.9 -3,-0.7 -1,-0.3 0.931 114.3 47.9 -65.5 -45.3 -33.0 188.2 70.2 486 8 C R H X< S+ 0 0 3 -4,-1.9 3,-0.6 -3,-1.1 306,-0.2 0.974 118.5 37.8 -57.6 -59.6 -36.7 187.6 70.3 487 9 C Y T >X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-1.7 0.297 84.2 117.6 -78.3 11.5 -37.7 190.2 67.7 488 10 C S H <> + 0 0 17 -3,-0.9 4,-1.7 -5,-0.4 -1,-0.2 0.786 69.7 53.2 -52.8 -32.9 -34.6 189.3 65.7 489 11 C R H <4 S+ 0 0 72 -3,-0.6 415,-0.8 -4,-0.2 -1,-0.3 0.708 113.8 42.8 -79.4 -15.6 -36.5 188.1 62.6 490 12 C Q H X4 S+ 0 0 3 -3,-1.7 3,-1.5 413,-0.2 7,-0.8 0.867 113.1 53.5 -86.5 -47.5 -38.5 191.4 62.4 491 13 C I H 3< S+ 0 0 15 -4,-2.7 7,-0.2 1,-0.3 -2,-0.2 0.778 99.8 59.1 -58.5 -35.1 -35.4 193.5 63.1 492 14 C L T 3< S+ 0 0 105 -4,-1.7 2,-0.6 -5,-0.2 411,-0.5 0.193 87.2 107.3 -81.4 17.3 -33.3 192.0 60.3 493 15 C L X> - 0 0 10 -3,-1.5 4,-2.7 1,-0.2 3,-2.5 -0.889 69.7-142.8-105.9 117.1 -36.0 193.2 58.0 494 16 C D T 34 S+ 0 0 153 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.834 100.0 48.8 -35.5 -54.6 -35.3 196.2 55.8 495 17 C D T 34 S+ 0 0 58 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.573 127.4 21.4 -72.3 -11.4 -38.8 197.6 56.2 496 18 C I T <> S+ 0 0 3 -3,-2.5 4,-3.7 -6,-0.3 5,-0.3 0.688 83.6 150.2-117.7 -53.7 -39.0 197.3 59.9 497 19 C A H X S- 0 0 23 -4,-2.7 4,-2.4 -7,-0.8 5,-0.2 0.101 78.0 -48.6 45.4-165.6 -35.4 197.2 61.2 498 20 C L H > S+ 0 0 83 -7,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.783 139.0 64.2 -67.8 -25.5 -34.6 198.6 64.6 499 21 C D H >> S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.992 110.1 34.9 -58.3 -62.6 -36.6 201.7 63.6 500 22 C G H 3X S+ 0 0 2 -4,-3.7 4,-3.1 1,-0.2 5,-0.3 0.917 109.5 62.8 -59.3 -49.0 -39.9 199.9 63.3 501 23 C Q H 3X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.851 107.4 47.1 -47.6 -36.9 -39.2 197.4 66.1 502 24 C Q H < S+ 0 0 113 -4,-1.8 3,-1.4 1,-0.2 28,-0.2 0.857 109.4 52.3 -40.9 -51.7 -42.3 202.0 67.0 504 26 C L H >< S+ 0 0 0 -4,-3.1 3,-2.7 1,-0.3 27,-2.0 0.972 107.7 52.5 -50.6 -56.6 -44.2 198.8 67.4 505 27 C L H 3< S+ 0 0 36 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.611 109.4 50.2 -55.5 -15.9 -43.1 198.6 71.0 506 28 C D T << S+ 0 0 117 -3,-1.4 2,-0.3 -4,-0.9 -1,-0.3 0.173 95.7 97.1-109.0 14.9 -44.4 202.1 71.6 507 29 C S < - 0 0 14 -3,-2.7 25,-2.5 -5,-0.2 2,-0.5 -0.783 59.6-148.1-109.5 150.2 -47.8 201.4 70.1 508 30 C Q E -c 532 0H 58 -2,-0.3 90,-1.7 23,-0.2 91,-1.3 -0.970 14.0-168.7-118.0 126.5 -51.1 200.5 71.7 509 31 C V E -cd 533 599H 0 23,-3.6 25,-2.1 -2,-0.5 2,-0.5 -0.963 10.0-152.2-120.0 125.1 -53.6 198.3 69.8 510 32 C L E -cd 534 600H 0 89,-2.2 91,-2.9 -2,-0.5 2,-0.5 -0.818 9.1-169.5 -94.5 129.8 -57.2 197.7 70.8 511 33 C I E -cd 535 601H 0 23,-2.3 25,-1.4 -2,-0.5 2,-0.8 -0.854 4.2-164.2-123.3 94.0 -58.6 194.3 69.7 512 34 C I E +cd 536 602H 11 89,-1.6 91,-1.8 -2,-0.5 25,-0.2 -0.689 65.3 25.0 -82.3 110.0 -62.3 194.2 70.2 513 35 C G - 0 0 5 23,-2.7 2,-0.3 -2,-0.8 24,-0.2 0.413 61.8-146.6 105.5 117.6 -63.5 190.6 70.0 514 36 C L + 0 0 0 4,-0.1 37,-0.1 3,-0.1 -1,-0.1 -0.462 59.9 109.2-113.3 60.6 -61.4 187.5 70.7 515 37 C G S > S- 0 0 12 88,-0.5 4,-1.7 -2,-0.3 36,-0.2 0.147 92.4 -44.2-106.3-140.4 -62.9 185.1 68.3 516 38 C G T 4 S+ 0 0 2 2,-0.2 160,-0.4 3,-0.1 34,-0.1 0.583 142.6 36.7 -71.9 -9.2 -61.7 183.5 65.1 517 39 C L T > S+ 0 0 0 86,-0.4 4,-1.7 159,-0.1 5,-0.1 0.804 118.7 42.4-102.6 -68.1 -60.4 186.9 64.1 518 40 C G H > S+ 0 0 0 85,-0.6 4,-2.8 1,-0.2 5,-0.3 0.738 108.6 63.1 -53.1 -26.9 -59.1 188.5 67.3 519 41 C T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.962 108.5 35.6 -68.1 -51.5 -57.4 185.3 68.4 520 42 C P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.797 121.8 51.7 -72.5 -24.7 -54.9 184.9 65.6 521 43 C A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.992 109.8 44.0 -70.7 -67.5 -54.5 188.7 65.5 522 44 C A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -3,-0.2 0.879 116.6 52.7 -42.6 -45.5 -53.9 189.3 69.2 523 45 C L H >X S+ 0 0 4 -4,-1.9 4,-2.1 -5,-0.3 3,-0.6 0.988 111.0 39.9 -56.3 -74.0 -51.5 186.3 69.0 524 46 C Y H 3X S+ 0 0 3 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.807 115.1 55.3 -48.9 -34.9 -49.3 187.3 66.0 525 47 C L H >X>S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 5,-1.5 0.944 107.3 48.8 -66.5 -45.3 -49.3 190.9 67.3 526 48 C A H X<5S+ 0 0 0 -4,-2.3 3,-0.8 -3,-0.6 -2,-0.2 0.977 109.6 50.9 -56.3 -56.1 -48.0 189.9 70.7 527 49 C G H 3<5S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.670 109.2 55.6 -56.3 -15.7 -45.2 187.8 69.2 528 50 C A H <<5S- 0 0 2 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.837 117.4-107.1 -86.6 -37.4 -44.4 190.9 67.1 529 51 C G T <<5 + 0 0 0 -4,-1.8 -3,-0.2 -3,-0.8 -2,-0.1 0.552 46.9 172.7 122.9 11.8 -43.9 193.3 70.0 530 52 C V < - 0 0 0 -5,-1.5 -25,-0.3 1,-0.2 -1,-0.2 -0.335 32.7-136.1 -54.6 123.1 -46.8 195.6 70.0 531 53 C G S S+ 0 0 10 -27,-2.0 46,-1.4 -28,-0.2 2,-0.4 0.858 82.2 21.5 -50.2 -45.2 -46.2 197.6 73.2 532 54 C T E -ce 508 577H 26 -25,-2.5 -23,-3.6 44,-0.1 2,-0.6 -0.945 58.6-174.6-139.0 121.6 -49.8 197.5 74.4 533 55 C L E -ce 509 578H 0 44,-1.6 46,-2.1 -2,-0.4 2,-1.1 -0.919 8.5-163.6-111.9 106.1 -52.6 195.1 73.6 534 56 C V E -ce 510 579H 14 -25,-2.1 -23,-2.3 -2,-0.6 2,-0.9 -0.791 14.7-159.6 -91.0 99.8 -56.0 196.0 75.1 535 57 C L E -c 511 0H 0 44,-2.5 2,-0.3 -2,-1.1 46,-0.2 -0.717 11.1-173.5 -86.7 100.1 -57.9 192.7 74.6 536 58 C A E +c 512 0H 1 -25,-1.4 -23,-2.7 -2,-0.9 46,-0.2 -0.704 21.5 130.3 -98.1 145.2 -61.6 193.3 74.8 537 59 C D - 0 0 18 44,-2.0 25,-0.6 -2,-0.3 44,-0.2 -0.552 35.1-158.0 169.6 122.0 -64.4 190.6 74.8 538 60 C D + 0 0 84 -2,-0.2 2,-0.1 44,-0.1 46,-0.1 0.566 66.2 83.8 -87.7 -10.3 -67.4 190.0 77.0 539 61 C D - 0 0 64 44,-0.1 22,-2.4 1,-0.1 23,-0.4 -0.403 65.9-126.8 -97.3 172.2 -68.0 186.3 76.4 540 62 C D B -J 560 0I 60 20,-0.3 2,-0.5 21,-0.1 17,-0.1 -0.511 37.9 -81.1-106.2 175.7 -66.6 182.9 77.7 541 63 C V - 0 0 0 18,-2.2 17,-3.7 15,-0.5 2,-0.3 -0.672 43.3-172.4 -87.7 125.3 -65.1 179.9 76.0 542 64 C H >> - 0 0 70 -2,-0.5 3,-2.5 15,-0.2 4,-0.5 -0.878 35.1-117.5-117.1 148.6 -67.4 177.3 74.4 543 65 C L G >4 S+ 0 0 18 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.829 114.6 58.5 -48.1 -38.4 -66.6 173.9 73.0 544 66 C S G >4 S+ 0 0 7 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.662 93.7 68.8 -69.4 -14.9 -67.8 175.0 69.5 545 67 C N G X> S+ 0 0 13 -3,-2.5 4,-2.2 1,-0.2 3,-1.2 0.732 78.9 81.8 -74.8 -22.4 -65.2 177.8 69.6 546 68 C L G << S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.353 72.4 70.4 -72.2 6.7 -62.3 175.5 69.2 547 69 C Q G <4 S+ 0 0 2 -3,-0.7 -1,-0.2 184,-0.1 122,-0.2 0.333 123.9 7.0-104.0 15.7 -62.3 174.9 65.4 548 70 C R T <4 S+ 0 0 32 -3,-1.2 2,-1.2 121,-0.1 -2,-0.2 0.374 109.7 82.5-160.5 -22.3 -61.1 178.4 64.7 549 71 C Q >< + 0 0 5 -4,-2.2 3,-1.4 1,-0.1 -33,-0.1 -0.641 53.6 176.1 -99.3 76.8 -60.3 180.2 68.0 550 72 C I T 3 + 0 0 4 -2,-1.2 -1,-0.1 1,-0.3 -4,-0.1 0.330 64.6 72.1 -63.5 0.5 -56.8 178.8 68.5 551 73 C L T 3 S+ 0 0 1 -36,-0.2 2,-0.3 -37,-0.1 -1,-0.3 0.399 91.8 71.2 -97.5 3.4 -55.8 180.8 71.6 552 74 C F < - 0 0 2 -3,-1.4 2,-0.2 -7,-0.1 3,-0.1 -0.869 63.7-157.5-120.1 152.4 -58.2 178.6 73.7 553 75 C T > - 0 0 5 -2,-0.3 3,-1.7 1,-0.1 264,-0.2 -0.725 37.0-103.8-119.7 168.6 -58.0 175.0 74.9 554 76 C T G > S+ 0 0 22 262,-2.2 3,-2.8 1,-0.3 263,-0.1 0.968 122.5 59.9 -55.3 -51.0 -60.7 172.6 76.0 555 77 C E G 3 S+ 0 0 144 261,-0.4 -1,-0.3 1,-0.3 262,-0.1 0.566 95.9 64.8 -53.9 -9.0 -59.6 173.2 79.6 556 78 C D G X S+ 0 0 26 -3,-1.7 3,-1.5 2,-0.1 -15,-0.5 0.494 74.5 133.1 -95.4 -3.0 -60.4 176.9 79.1 557 79 C I T < S+ 0 0 42 -3,-2.8 -15,-0.2 1,-0.2 -3,-0.0 -0.050 72.0 9.0 -54.4 147.1 -64.1 176.4 78.6 558 80 C D T 3 S+ 0 0 122 -17,-3.7 -1,-0.2 1,-0.3 -16,-0.1 0.299 101.5 118.3 66.9 -11.4 -66.7 178.5 80.5 559 81 C R S < S- 0 0 75 -3,-1.5 -18,-2.2 -18,-0.2 -1,-0.3 -0.650 79.2 -98.2 -82.5 139.7 -63.7 180.6 81.5 560 82 C P B > -J 540 0I 21 0, 0.0 4,-2.3 0, 0.0 -20,-0.3 -0.306 25.8-137.0 -62.1 140.7 -63.9 184.2 80.1 561 83 C K H > S+ 0 0 16 -22,-2.4 4,-3.9 2,-0.2 5,-0.2 0.963 97.0 54.9 -63.8 -58.2 -62.0 184.9 77.0 562 84 C S H > S+ 0 0 0 -25,-0.6 4,-2.0 -23,-0.4 5,-0.2 0.841 114.1 45.6 -48.2 -36.2 -60.3 188.3 77.7 563 85 C Q H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.986 115.1 43.9 -70.4 -58.8 -58.9 186.7 80.8 564 86 C V H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.856 116.2 51.3 -52.5 -39.1 -57.7 183.5 79.1 565 87 C S H X S+ 0 0 0 -4,-3.9 4,-3.4 2,-0.2 5,-0.3 0.996 111.3 42.3 -62.4 -67.3 -56.4 185.6 76.2 566 88 C Q H X S+ 0 0 60 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.837 118.0 52.1 -47.8 -35.8 -54.3 188.1 78.2 567 89 C Q H X S+ 0 0 81 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.932 112.9 39.4 -70.2 -48.7 -53.2 185.1 80.2 568 90 C R H < S+ 0 0 44 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.827 119.0 49.6 -71.9 -30.0 -52.1 182.9 77.4 569 91 C L H >X S+ 0 0 0 -4,-3.4 3,-2.4 -5,-0.2 4,-2.2 0.899 103.3 56.8 -74.6 -41.7 -50.6 185.9 75.6 570 92 C T H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.733 103.4 60.1 -59.9 -18.9 -48.7 187.1 78.6 571 93 C Q T 3< S+ 0 0 48 -4,-0.6 228,-2.3 1,-0.1 229,-0.5 0.554 106.9 43.7 -84.8 -12.2 -47.2 183.7 78.4 572 94 C L T <4 S+ 0 0 3 -3,-2.4 -2,-0.2 226,-0.2 -1,-0.1 0.823 132.4 15.5 -97.6 -48.7 -45.8 184.3 74.9 573 95 C N >< + 0 0 2 -4,-2.2 3,-1.0 1,-0.1 -1,-0.2 -0.835 62.7 169.0-132.1 91.0 -44.4 187.7 75.4 574 96 C P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.829 73.3 73.9 -69.3 -31.4 -44.1 188.6 79.1 575 97 C D T 3 S+ 0 0 53 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.327 89.5 69.2 -66.9 5.3 -42.1 191.6 78.1 576 98 C I S < S- 0 0 14 -3,-1.0 2,-0.6 -6,-0.1 -44,-0.1 -0.923 85.7-111.8-126.9 153.7 -45.2 193.5 76.9 577 99 C Q E -e 532 0H 133 -46,-1.4 -44,-1.6 -2,-0.3 2,-0.5 -0.748 32.7-174.6 -88.7 117.7 -48.2 195.0 78.7 578 100 C L E -e 533 0H 13 -2,-0.6 2,-0.6 -46,-0.2 -44,-0.2 -0.952 7.4-159.7-115.3 121.2 -51.4 193.1 77.9 579 101 C T E -e 534 0H 57 -46,-2.1 -44,-2.5 -2,-0.5 -2,-0.0 -0.880 5.1-154.3-105.6 119.4 -54.7 194.5 79.3 580 102 C A - 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