==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-APR-00 1ESJ . COMPND 2 MOLECULE: HYDROXYETHYLTHIAZOLE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK . 852 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 4.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 56 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 42.5 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 0 2 1 3 3 0 0 3 0 7 7 1 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 2 9 1 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 . 0 0 6 3 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 0 0 0 0 0 0 3 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 -11 A M 0 0 118 0, 0.0 2,-2.1 0, 0.0 223,-0.1 0.000 360.0 360.0 360.0 3.1 29.2 26.1 31.1 2 -10 A R + 0 0 105 221,-0.1 220,-0.2 222,-0.1 221,-0.2 -0.469 360.0 158.2 -72.1 80.8 30.2 27.3 27.6 3 -9 A G B -a 223 0A 30 -2,-2.1 221,-4.2 219,-1.4 2,-0.4 -0.314 40.6-104.9 -96.3-177.3 32.4 30.2 28.7 4 -8 A S + 0 0 48 219,-0.3 3,-0.2 220,-0.2 219,-0.1 -0.935 30.6 169.7-115.7 132.4 35.1 32.1 26.8 5 -7 A H S S+ 0 0 62 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.389 80.2 37.2-114.9 -3.3 38.8 31.8 27.5 6 -6 A H S S- 0 0 19 7,-0.0 2,-0.6 12,-0.0 -1,-0.3 -0.819 73.1-148.2-153.4 106.2 39.9 33.7 24.5 7 -5 A H > - 0 0 128 -2,-0.3 3,-1.6 -3,-0.2 2,-1.1 -0.666 27.1-125.4 -77.7 117.4 38.1 36.8 23.3 8 -4 A H T 3 S+ 0 0 76 -2,-0.6 4,-0.1 1,-0.2 -1,-0.1 -0.521 95.0 56.5 -71.0 99.1 38.5 36.9 19.5 9 -3 A H T 3 S+ 0 0 171 -2,-1.1 -1,-0.2 2,-0.4 3,-0.1 0.068 88.2 71.9 167.7 -21.4 39.9 40.3 18.8 10 -2 A H S < S- 0 0 161 -3,-1.6 2,-0.2 1,-0.4 -2,-0.1 0.578 116.5 -66.2 -87.0 -12.6 43.0 40.3 20.9 11 -1 A G - 0 0 33 -4,-0.3 -2,-0.4 -5,-0.0 -1,-0.4 -0.835 65.0 -51.0 148.1 175.1 44.7 37.9 18.5 12 0 A S - 0 0 46 -2,-0.2 268,-0.0 1,-0.1 2,-0.0 -0.289 69.1 -77.0 -77.4 163.5 44.6 34.4 17.1 13 1 A M - 0 0 5 4,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.316 57.6-178.9 -59.8 137.4 44.4 31.1 19.1 14 2 A D > - 0 0 60 -3,-0.1 4,-2.4 265,-0.1 5,-0.2 -0.838 43.9 -97.4-135.3 173.2 47.7 30.1 20.6 15 3 A A H > S+ 0 0 20 -2,-0.3 4,-1.8 1,-0.2 261,-0.1 0.788 121.1 55.6 -60.8 -29.3 49.3 27.3 22.7 16 4 A Q H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 111.4 41.5 -70.3 -45.6 48.8 29.5 25.9 17 5 A S H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.833 112.6 54.8 -70.7 -33.5 45.1 29.9 25.3 18 6 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.914 106.6 52.6 -65.5 -40.6 44.7 26.2 24.3 19 7 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.884 105.6 53.2 -62.2 -40.6 46.4 25.2 27.6 20 8 A K H X S+ 0 0 92 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.840 103.5 57.5 -65.2 -31.2 44.0 27.3 29.6 21 9 A C H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.878 102.4 55.3 -65.9 -36.7 41.0 25.6 27.9 22 10 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.939 107.2 48.9 -60.6 -47.1 42.4 22.2 29.1 23 11 A T H X S+ 0 0 59 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.882 108.8 54.4 -61.1 -35.8 42.4 23.5 32.7 24 12 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.883 105.9 52.2 -64.9 -39.6 38.8 24.7 32.2 25 13 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.928 112.0 45.2 -62.8 -44.7 37.7 21.2 31.1 26 14 A R H < S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 110.5 55.5 -69.1 -31.3 39.2 19.6 34.2 27 15 A R H < S+ 0 0 204 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.912 119.8 29.4 -67.3 -41.5 37.7 22.3 36.4 28 16 A H H < S- 0 0 74 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.659 84.8-149.2 -94.8 -17.7 34.1 21.7 35.1 29 17 A S < - 0 0 48 -4,-2.3 24,-0.2 -5,-0.2 -3,-0.1 0.946 27.4-143.3 46.2 59.1 34.2 18.0 34.2 30 18 A P - 0 0 0 0, 0.0 24,-2.8 0, 0.0 2,-0.8 -0.187 9.7-115.8 -55.7 140.6 31.6 18.5 31.4 31 19 A L E -b 54 0B 49 22,-0.2 41,-3.3 39,-0.2 42,-1.3 -0.705 32.7-163.8 -79.7 112.4 29.1 15.8 30.9 32 20 A V E -bc 55 73B 0 22,-3.1 24,-2.2 -2,-0.8 2,-0.7 -0.883 4.7-156.3-105.6 111.4 29.8 14.5 27.4 33 21 A H E -bc 56 74B 0 40,-2.4 42,-3.1 -2,-0.7 2,-0.5 -0.770 14.3-171.2 -88.1 115.4 26.9 12.5 25.9 34 22 A S E -bc 57 75B 1 22,-2.4 24,-0.8 -2,-0.7 2,-0.7 -0.926 17.0-167.8-113.0 129.9 28.3 10.1 23.2 35 23 A I E + c 0 76B 1 40,-2.5 42,-2.3 -2,-0.5 2,-0.2 -0.971 44.6 124.2-112.2 108.6 26.1 8.1 20.9 36 24 A T - 0 0 17 -2,-0.7 2,-0.2 40,-0.2 42,-0.1 -0.777 55.7 -71.4-150.7-169.3 28.6 5.7 19.3 37 25 A N >> - 0 0 13 -2,-0.2 3,-1.3 1,-0.1 4,-1.0 -0.616 34.7-113.9-102.0 161.4 29.5 2.0 18.7 38 26 A N T 34 S+ 0 0 34 1,-0.3 289,-0.4 -2,-0.2 4,-0.3 0.537 107.6 69.4 -68.4 -7.8 30.6 -0.8 20.9 39 27 A V T 34 S+ 0 0 7 287,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.822 118.6 18.2 -79.0 -28.2 34.0 -1.1 19.2 40 28 A V T <> S+ 0 0 6 -3,-1.3 4,-2.0 2,-0.1 -2,-0.2 0.362 95.4 98.7-122.8 3.6 35.1 2.3 20.6 41 29 A T H X S+ 0 0 1 -4,-1.0 4,-2.5 567,-0.2 5,-0.2 0.929 85.8 47.9 -58.3 -49.5 32.8 3.0 23.6 42 30 A N H > S+ 0 0 25 566,-0.3 4,-2.6 -4,-0.3 734,-0.2 0.906 114.2 44.7 -61.5 -44.3 35.1 1.8 26.3 43 31 A F H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 113.0 52.7 -68.8 -35.5 38.2 3.7 25.1 44 32 A T H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.918 113.0 43.6 -64.8 -44.6 36.1 6.8 24.5 45 33 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.939 115.9 46.8 -66.8 -47.4 34.8 6.7 28.0 46 34 A N H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.858 111.7 52.1 -63.1 -35.4 38.1 5.9 29.6 47 35 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 111.2 46.3 -66.8 -42.9 39.8 8.7 27.5 48 36 A L H X>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-2.0 0.897 112.4 50.5 -66.1 -41.3 37.2 11.2 28.7 49 37 A L H <5S+ 0 0 30 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.917 111.3 48.8 -63.1 -42.0 37.6 10.2 32.3 50 38 A A H <5S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 109.6 52.3 -62.3 -44.9 41.4 10.4 32.0 51 39 A L H <5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.868 123.5-103.0 -58.7 -41.3 41.1 13.9 30.5 52 40 A G T <5S+ 0 0 14 -4,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.489 81.8 117.6 124.7 12.6 38.9 15.1 33.3 53 41 A A < - 0 0 2 -5,-2.8 -1,-0.3 -24,-0.2 -22,-0.2 -0.541 64.2-115.6-102.2 172.4 35.5 15.0 31.6 54 42 A S E -b 31 0B 44 -24,-2.8 -22,-3.1 -2,-0.2 2,-0.3 -0.924 28.7-153.8-114.6 109.9 32.4 13.0 32.5 55 43 A P E +b 32 0B 30 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.601 14.2 179.0 -86.2 141.6 31.2 10.5 29.9 56 44 A V E -b 33 0B 24 -24,-2.2 -22,-2.4 -2,-0.3 2,-0.5 -0.988 9.9-162.4-140.7 128.0 27.7 9.2 29.5 57 45 A M E +b 34 0B 11 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.965 23.0 153.4-113.0 122.0 26.6 6.7 26.8 58 46 A A + 0 0 0 -24,-0.8 592,-0.1 -2,-0.5 594,-0.1 -0.967 9.0 161.1-149.0 131.3 22.9 6.5 26.0 59 47 A Y + 0 0 36 592,-0.4 33,-0.1 -2,-0.3 593,-0.1 0.536 35.4 116.1-127.4 -19.2 21.4 5.4 22.7 60 48 A A >> - 0 0 9 591,-0.5 4,-2.6 1,-0.2 3,-2.3 -0.341 63.0-136.8 -61.0 133.1 17.8 4.5 23.4 61 49 A K T 34 S+ 0 0 119 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.715 103.9 67.7 -62.3 -18.4 15.2 6.7 21.6 62 50 A E T 34 S+ 0 0 65 1,-0.1 623,-0.3 2,-0.1 -1,-0.3 0.624 119.5 14.1 -76.2 -13.4 13.3 6.6 25.0 63 51 A E T <> S+ 0 0 1 -3,-2.3 4,-2.5 622,-0.1 5,-0.3 0.547 95.2 92.9-138.1 -12.4 16.1 8.6 26.7 64 52 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.873 91.3 51.2 -56.8 -36.7 18.5 10.3 24.2 65 53 A A H > S+ 0 0 29 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.923 113.1 45.2 -64.9 -43.1 16.5 13.5 24.1 66 54 A D H 4 S+ 0 0 43 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.845 116.1 45.9 -68.4 -35.7 16.4 13.7 27.9 67 55 A M H >< S+ 0 0 4 -4,-2.5 3,-1.0 2,-0.2 4,-0.5 0.922 110.8 52.0 -75.1 -43.4 20.1 12.9 28.3 68 56 A A H >< S+ 0 0 0 -4,-2.7 3,-1.2 -5,-0.3 -2,-0.2 0.890 102.7 58.8 -61.0 -39.8 21.3 15.3 25.5 69 57 A K T 3< S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.699 110.7 41.7 -65.7 -19.3 19.4 18.3 27.0 70 58 A I T < S+ 0 0 86 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.381 97.2 100.3-106.2 1.8 21.4 18.0 30.3 71 59 A A S < S- 0 0 10 -3,-1.2 -39,-0.2 -4,-0.5 3,-0.1 -0.405 72.7-134.5 -83.7 162.5 24.7 17.2 28.7 72 60 A G S S- 0 0 13 -41,-3.3 2,-0.3 1,-0.4 -40,-0.2 0.721 91.3 -2.2 -85.1 -25.9 27.5 19.8 28.2 73 61 A A E -c 32 0B 0 -42,-1.3 -40,-2.4 28,-0.2 2,-0.4 -0.966 66.0-136.7-161.3 149.7 27.9 18.6 24.7 74 62 A L E -cd 33 103B 0 28,-3.2 30,-3.0 -2,-0.3 2,-0.5 -0.950 17.0-163.7-113.4 132.6 26.5 15.9 22.4 75 63 A V E -cd 34 104B 1 -42,-3.1 -40,-2.5 -2,-0.4 2,-0.5 -0.970 0.7-162.7-122.1 122.9 28.8 13.8 20.2 76 64 A L E -cd 35 105B 0 28,-3.3 30,-2.9 -2,-0.5 2,-0.5 -0.904 8.0-178.2-107.1 125.1 27.4 11.7 17.3 77 65 A N E - d 0 106B 6 -42,-2.3 3,-0.2 -2,-0.5 28,-0.0 -0.978 14.8-167.9-126.2 117.8 29.6 8.9 15.9 78 66 A I > + 0 0 0 28,-1.8 3,-1.1 -2,-0.5 -42,-0.1 0.165 44.8 130.9 -90.6 19.5 28.4 6.9 12.9 79 67 A G T 3 S- 0 0 7 1,-0.3 2,-0.4 27,-0.2 -1,-0.2 0.862 86.7 -3.0 -35.4 -78.0 31.1 4.3 13.3 80 68 A T T 3 S+ 0 0 14 -3,-0.2 -1,-0.3 263,-0.1 -42,-0.2 -0.652 97.3 173.7-123.1 71.2 29.3 1.0 13.2 81 69 A L < - 0 0 3 -3,-1.1 264,-0.4 -2,-0.4 263,-0.3 -0.044 23.8-156.6 -75.2 176.3 25.8 2.4 13.0 82 70 A S > - 0 0 19 262,-0.1 4,-1.9 265,-0.1 5,-0.2 -0.917 39.4-103.3-146.3 158.5 22.4 0.8 12.5 83 71 A K H > S+ 0 0 136 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.866 123.0 56.5 -56.0 -33.6 19.2 2.5 11.1 84 72 A E H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 105.8 46.0 -66.0 -45.8 18.1 2.6 14.7 85 73 A S H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.851 109.5 54.3 -69.3 -32.7 21.1 4.5 16.1 86 74 A V H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.931 107.9 51.5 -64.4 -41.7 21.0 7.1 13.3 87 75 A E H X S+ 0 0 84 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.913 112.6 46.1 -57.8 -44.1 17.3 7.7 14.2 88 76 A A H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.871 107.6 56.4 -68.5 -38.9 18.4 8.2 17.8 89 77 A M H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.880 109.0 47.1 -61.0 -38.7 21.3 10.5 16.9 90 78 A I H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.892 111.1 50.9 -71.0 -39.5 18.9 12.8 15.1 91 79 A I H X S+ 0 0 60 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.939 113.9 44.9 -61.4 -45.9 16.5 12.8 18.0 92 80 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.888 111.5 53.5 -65.3 -40.0 19.3 13.6 20.4 93 81 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.897 108.1 48.8 -62.5 -42.7 20.7 16.3 18.1 94 82 A K H X S+ 0 0 93 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.881 112.1 49.4 -65.9 -37.2 17.4 18.1 17.8 95 83 A S H X S+ 0 0 16 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.939 111.2 49.3 -65.3 -47.0 16.9 18.0 21.6 96 84 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.8 0.909 109.1 53.8 -57.2 -43.9 20.5 19.4 22.0 97 85 A N H ><5S+ 0 0 21 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.902 104.4 53.4 -59.5 -43.5 19.7 22.1 19.5 98 86 A E H 3<5S+ 0 0 164 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.704 115.7 41.3 -66.5 -17.8 16.6 23.2 21.4 99 87 A H T <<5S- 0 0 100 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.238 113.3-109.6-115.1 13.6 18.7 23.6 24.5 100 88 A G T < 5 + 0 0 56 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.771 64.2 151.8 66.7 26.3 21.9 25.2 23.2 101 89 A V < - 0 0 11 -5,-2.8 -1,-0.2 -6,-0.2 -28,-0.2 -0.813 48.9-118.7 -90.9 119.9 23.9 22.0 23.7 102 90 A P - 0 0 14 0, 0.0 -28,-3.2 0, 0.0 2,-0.5 -0.307 26.0-152.5 -60.8 136.5 26.8 21.9 21.2 103 91 A V E -d 74 0B 1 25,-0.2 27,-3.1 -30,-0.2 28,-1.2 -0.947 8.1-166.5-115.2 129.0 26.7 18.8 18.9 104 92 A I E -de 75 131B 0 -30,-3.0 -28,-3.3 -2,-0.5 2,-0.4 -0.943 7.2-154.6-114.8 136.3 29.8 17.4 17.4 105 93 A L E -de 76 132B 0 26,-2.1 28,-2.6 -2,-0.4 -28,-0.2 -0.930 10.8-164.8-116.4 134.9 29.7 14.8 14.5 106 94 A D E -d 77 0B 0 -30,-2.9 -28,-1.8 -2,-0.4 2,-1.0 -0.930 7.6-164.5-115.0 99.8 32.3 12.2 13.6 107 95 A P > - 0 0 0 0, 0.0 3,-2.5 0, 0.0 -30,-0.1 -0.106 18.6-179.9 -79.6 41.2 31.4 11.1 10.0 108 96 A V T 3 + 0 0 43 -2,-1.0 -2,-0.1 1,-0.3 26,-0.0 -0.137 67.7 5.8 -46.4 122.7 33.5 8.0 10.2 109 97 A G T >> S+ 0 0 13 1,-0.3 3,-1.7 -29,-0.0 4,-0.7 0.439 82.9 157.5 83.9 -1.2 33.4 6.0 7.0 110 98 A A B <4 S+j 113 0C 3 -3,-2.5 -1,-0.3 1,-0.3 31,-0.3 -0.393 72.7 16.6 -60.3 126.7 31.3 8.5 5.0 111 99 A G T 34 S+ 0 0 28 2,-0.8 -1,-0.3 30,-0.2 27,-0.0 0.004 103.4 88.6 100.4 -29.0 31.9 7.8 1.4 112 100 A A T <4 S+ 0 0 66 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2,-0.2 5,-0.2 0.918 108.1 50.3 -64.8 -42.0 20.7 13.1 7.1 123 111 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.936 111.5 46.2 -61.0 -49.3 22.3 14.2 10.4 124 112 A I H < S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 113.9 51.4 -62.8 -31.6 23.7 17.4 8.9 125 113 A R H < S+ 0 0 159 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 121.1 31.0 -73.3 -37.3 20.3 18.0 7.3 126 114 A E H < S+ 0 0 79 -4,-2.4 2,-0.4 -5,-0.1 -2,-0.2 0.631 116.6 56.3 -97.5 -16.4 18.4 17.5 10.6 127 115 A V S < S- 0 0 4 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.1 -0.966 71.5-133.7-126.4 132.7 20.9 18.7 13.2 128 116 A R - 0 0 170 -2,-0.4 2,-0.4 -35,-0.2 -25,-0.2 -0.695 34.0-151.4 -77.7 127.8 22.7 22.0 13.6 129 117 A L - 0 0 23 -2,-0.5 -25,-0.2 44,-0.3 3,-0.1 -0.823 25.2-159.3-108.8 143.5 26.3 21.1 14.3 130 118 A A S S- 0 0 21 -27,-3.1 46,-1.0 -2,-0.4 2,-0.3 0.782 82.8 -12.3 -83.8 -29.3 29.0 23.0 16.3 131 119 A A E -ef 104 176B 2 -28,-1.2 -26,-2.1 44,-0.2 2,-0.4 -0.983 53.7-143.9-166.8 158.3 31.7 21.0 14.6 132 120 A I E -ef 105 177B 3 44,-2.1 46,-2.9 -2,-0.3 2,-0.5 -1.000 15.1-164.5-130.9 128.1 32.5 18.0 12.4 133 121 A R E + f 0 178B 19 -28,-2.6 2,-0.3 -2,-0.4 46,-0.2 -0.952 35.0 113.4-120.2 113.0 35.6 16.0 12.9 134 122 A G E - f 0 179B 0 44,-1.8 46,-1.4 -2,-0.5 2,-0.1 -0.948 61.2 -80.0-161.9 177.0 36.7 13.6 10.1 135 123 A N > - 0 0 62 -2,-0.3 4,-2.6 44,-0.2 5,-0.3 -0.384 52.4 -93.2 -85.4 169.5 39.4 13.0 7.5 136 124 A A H > S+ 0 0 31 44,-0.5 4,-2.5 1,-0.2 5,-0.1 0.862 124.0 47.3 -46.8 -47.2 39.7 14.7 4.1 137 125 A A H > S+ 0 0 49 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.962 111.6 47.5 -62.7 -55.3 37.8 12.0 2.3 138 126 A E H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.900 114.4 48.5 -55.4 -41.6 34.9 11.7 4.8 139 127 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.948 115.2 44.7 -64.0 -47.6 34.5 15.5 4.8 140 128 A A H X S+ 0 0 26 -4,-2.5 4,-3.3 -5,-0.3 -2,-0.2 0.962 115.4 45.8 -60.4 -54.6 34.6 15.6 1.0 141 129 A H H < S+ 0 0 93 -4,-3.6 -1,-0.2 -31,-0.3 -2,-0.2 0.736 113.9 51.7 -61.7 -24.3 32.2 12.7 0.5 142 130 A T H < S+ 0 0 7 -4,-1.6 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9,-0.0 -0.975 84.7 -36.2 140.8-126.3 40.1 22.8 -6.7 153 141 A V - 0 0 91 -2,-0.4 2,-0.4 2,-0.0 8,-0.1 -0.999 42.3-140.5-144.0 139.5 42.9 20.4 -7.5 154 142 A D + 0 0 158 -2,-0.3 2,-0.3 4,-0.0 4,-0.1 -0.861 39.6 129.9-104.5 133.1 43.4 16.7 -6.8 155 143 A A - 0 0 80 -2,-0.4 -2,-0.0 2,-0.1 2,-0.0 -0.940 56.0 -54.8-162.6-179.5 46.8 15.2 -5.8 156 144 A G S S- 0 0 65 -2,-0.3 2,-0.6 2,-0.0 0, 0.0 -0.289 104.6 -16.5 -68.2 154.3 48.6 13.0 -3.3 157 145 A E S S- 0 0 173 2,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.330 88.8-158.9 54.3-101.2 48.4 13.7 0.4 158 146 A G + 0 0 38 -2,-0.6 -1,-0.1 -4,-0.1 -4,-0.0 -0.360 39.6 157.2 114.7 164.9 47.0 17.3 0.4 159 147 A G S > S+ 0 0 25 -2,-0.1 4,-1.6 26,-0.0 6,-0.1 -0.036 79.1 50.0 173.0 -52.2 46.8 20.4 2.6 160 148 A G H > S+ 0 0 44 2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.935 118.9 41.6 -73.5 -48.1 46.3 23.5 0.6 161 149 A D H > S+ 0 0 48 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.809 114.4 56.2 -65.1 -26.8 43.5 21.9 -1.4 162 150 A I H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.3 0.835 103.3 52.7 -71.6 -33.7 42.7 20.7 2.2 163 151 A I H X S+ 0 0 37 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.944 113.3 42.4 -66.1 -47.3 42.6 24.3 3.3 164 152 A R H X S+ 0 0 118 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.831 111.7 56.7 -67.6 -31.5 40.2 25.2 0.6 165 153 A L H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.942 108.6 46.6 -63.3 -46.7 38.3 22.0 1.3 166 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.865 113.3 47.4 -64.4 -39.6 37.9 23.1 5.0 167 155 A Q H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.912 111.8 50.6 -69.1 -42.6 36.7 26.6 4.1 168 156 A Q H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.892 115.3 43.2 -61.0 -41.9 34.3 25.4 1.5 169 157 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.902 112.9 51.6 -71.8 -42.3 32.8 22.9 4.0 170 158 A A H X>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 4,-0.9 0.898 115.7 41.0 -62.0 -41.9 32.7 25.3 6.9 171 159 A Q H <5S+ 0 0 116 -4,-2.5 -1,-0.2 17,-0.2 -2,-0.2 0.871 115.5 50.5 -74.6 -38.2 30.9 28.0 4.9 172 160 A K H <5S+ 0 0 128 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.892 124.3 28.7 -67.1 -40.4 28.6 25.5 3.2 173 161 A L H <5S- 0 0 39 -4,-2.6 -44,-0.3 -5,-0.1 -1,-0.2 0.481 100.2-131.8 -99.7 -4.4 27.6 23.9 6.5 174 162 A N T <5S+ 0 0 128 -4,-0.9 2,-0.2 -5,-0.2 -3,-0.2 0.927 70.9 98.8 52.9 51.9 28.1 27.0 8.7 175 163 A T S - 0 0 84 -2,-0.2 3,-1.7 1,-0.0 4,-0.2 -0.983 21.1-114.7-158.4 150.1 52.0 10.7 16.7 200 188 A K G > S+ 0 0 118 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.678 104.0 77.8 -62.1 -19.9 51.5 7.9 14.2 201 189 A L G > S+ 0 0 32 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.776 76.1 77.9 -62.4 -22.4 50.9 5.3 16.8 202 190 A L G X S+ 0 0 31 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.797 85.1 61.5 -56.3 -27.3 47.3 6.8 17.1 203 191 A T G < S+ 0 0 83 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.594 97.6 59.3 -76.6 -7.8 46.5 4.8 13.9 204 192 A K G < S+ 0 0 78 -3,-2.5 2,-0.5 -4,-0.2 -1,-0.2 0.368 93.2 74.8 -99.7 2.5 47.3 1.6 15.8 205 193 A V S X S- 0 0 5 -3,-1.2 3,-1.6 -4,-0.2 4,-0.3 -0.964 78.7-133.3-120.8 118.2 44.6 2.1 18.5 206 194 A T T 3 S+ 0 0 23 -2,-0.5 125,-0.1 1,-0.3 -2,-0.1 -0.436 94.1 29.3 -68.0 140.6 41.0 1.6 17.7 207 195 A G T 3> S+ 0 0 6 -2,-0.1 4,-2.8 -164,-0.1 -1,-0.3 0.427 82.3 119.8 90.5 -2.2 38.8 4.4 19.1 208 196 A A H <> S+ 0 0 9 -3,-1.6 4,-1.8 -6,-0.3 -2,-0.1 0.919 82.5 37.6 -61.4 -45.3 41.7 6.9 18.7 209 197 A G H > S+ 0 0 29 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.901 115.8 52.7 -73.0 -41.1 39.6 9.1 16.3 210 198 A S H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.908 110.3 49.1 -60.4 -43.2 36.4 8.5 18.1 211 199 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.928 108.0 53.7 -62.5 -45.7 37.9 9.6 21.4 212 200 A L H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.916 107.9 50.7 -57.2 -42.8 39.4 12.7 19.8 213 201 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.926 111.4 47.1 -62.1 -43.3 36.0 13.7 18.5 214 202 A S H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.816 109.1 55.5 -67.6 -28.6 34.4 13.3 22.0 215 203 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.874 104.0 53.6 -68.8 -37.3 37.4 15.2 23.4 216 204 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 106.8 53.5 -60.9 -41.0 36.4 18.1 21.0 217 205 A G H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.938 105.1 53.2 -58.7 -46.7 33.0 17.8 22.5 218 206 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.883 111.2 45.8 -56.9 -41.1 34.4 18.2 26.0 219 207 A F H >X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.8 0.862 107.3 57.2 -71.9 -34.8 36.2 21.4 25.0 220 208 A C H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.750 99.6 62.0 -66.5 -22.1 33.1 22.8 23.2 221 209 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.801 117.5 26.3 -73.4 -27.8 31.3 22.4 26.5 222 210 A V H << S+ 0 0 1 -3,-0.8 -219,-1.4 -4,-0.6 2,-0.6 0.701 114.3 63.5-107.8 -26.3 33.6 24.9 28.3 223 211 A E B < -a 3 0A 1 -4,-2.8 -219,-0.3 -221,-0.2 6,-0.2 -0.907 65.9-155.0-105.4 119.0 34.9 27.1 25.5 224 212 A E S S+ 0 0 86 -221,-4.2 -220,-0.2 -2,-0.6 -1,-0.1 0.788 79.9 74.1 -63.1 -31.0 32.2 29.2 23.8 225 213 A N > - 0 0 31 -222,-0.3 4,-3.0 1,-0.2 3,-0.3 -0.759 69.6-160.5 -88.7 102.6 34.1 29.6 20.5 226 214 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.782 90.2 55.7 -52.2 -32.4 33.8 26.1 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Y H X S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.922 112.6 49.4 -61.1 -46.0 45.1 15.4 22.7 238 226 A G H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -40,-0.6 0.899 110.6 48.7 -62.2 -42.8 48.1 15.6 20.3 239 227 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.920 111.0 50.8 -64.4 -42.3 50.5 16.6 23.0 240 228 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 109.8 51.1 -60.8 -40.0 49.3 13.9 25.2 241 229 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.881 109.3 51.0 -65.0 -37.1 49.8 11.4 22.4 242 230 A Q H X S+ 0 0 43 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 112.1 44.7 -66.7 -45.4 53.4 12.7 21.9 243 231 A L H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.885 113.2 53.3 -65.5 -37.3 54.2 12.3 25.6 244 232 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.926 107.4 49.4 -63.0 -45.4 52.6 8.9 25.5 245 233 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.878 111.1 50.6 -63.1 -37.0 54.6 7.7 22.5 246 234 A Q H < S+ 0 0 132 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.959 112.6 45.8 -64.1 -49.4 57.8 8.9 24.3 247 235 A Q H < 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-0.506 69.5 -93.8 -81.7 147.5 55.5 -29.7 4.1 298 1 B M + 0 0 2 -2,-0.2 2,-0.3 -7,-0.1 -1,-0.1 -0.340 58.9 178.9 -57.0 136.3 54.2 -26.3 5.4 299 2 B D > - 0 0 64 -3,-0.1 4,-1.9 265,-0.1 5,-0.2 -0.843 45.0 -91.2-139.6 176.0 56.9 -25.0 7.8 300 3 B A H > S+ 0 0 18 -2,-0.3 4,-2.7 261,-0.2 5,-0.2 0.855 120.7 55.7 -54.4 -40.4 58.0 -22.1 10.0 301 4 B Q H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 110.0 43.9 -60.9 -47.5 59.8 -20.4 7.2 302 5 B S H > S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.805 112.7 54.4 -67.9 -28.5 56.7 -20.3 5.0 303 6 B A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.919 105.9 51.5 -70.0 -43.7 54.7 -19.2 8.0 304 7 B A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.869 107.0 54.1 -60.4 -38.7 57.1 -16.3 8.6 305 8 B K H X S+ 0 0 86 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.859 105.4 52.8 -64.6 -36.6 56.7 -15.2 5.0 306 9 B C H X S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.895 106.0 54.5 -65.7 -39.6 52.9 -15.1 5.3 307 10 B L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.901 108.4 48.3 -59.6 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7.6 318 21 B H E -kl 341 359D 0 40,-3.0 42,-3.1 -2,-0.7 2,-0.5 -0.790 18.0-177.1 -87.9 109.4 35.7 -7.6 8.0 319 22 B S E - l 0 360D 1 22,-2.2 2,-0.7 -2,-0.8 42,-0.2 -0.943 18.5-169.8-114.7 124.8 34.9 -9.1 11.4 320 23 B I E + l 0 361D 6 40,-2.9 42,-2.6 -2,-0.5 2,-0.2 -0.926 35.4 148.4-109.5 102.5 31.4 -9.5 12.7 321 24 B T - 0 0 24 -2,-0.7 5,-0.1 21,-0.2 42,-0.1 -0.720 46.6 -67.6-130.6-179.1 31.9 -10.6 16.3 322 25 B N >> - 0 0 16 -2,-0.2 3,-1.9 1,-0.1 4,-0.8 -0.327 41.0-115.7 -75.0 152.4 30.3 -10.3 19.8 323 26 B N T 34 S+ 0 0 24 1,-0.3 289,-0.3 42,-0.2 4,-0.2 0.560 110.2 65.1 -63.5 -6.7 30.0 -7.1 21.8 324 27 B V T 34 S+ 0 0 6 287,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.641 116.1 24.1 -89.4 -14.9 32.4 -8.5 24.5 325 28 B V T <> S+ 0 0 2 -3,-1.9 4,-2.7 2,-0.1 5,-0.2 0.348 83.9 106.0-134.6 9.0 35.4 -8.6 22.2 326 29 B T H X S+ 0 0 8 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 0.923 87.7 45.7 -58.8 -45.2 34.9 -6.2 19.3 327 30 B N H > S+ 0 0 24 -289,-0.4 4,-2.7 -4,-0.2 5,-0.2 0.938 115.2 45.3 -64.1 -47.0 37.5 -3.7 20.7 328 31 B F H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 112.8 52.4 -63.7 -39.7 40.1 -6.3 21.5 329 32 B T H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.943 111.4 46.1 -61.0 -47.2 39.5 -8.0 18.1 330 33 B A H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.905 114.1 47.8 -62.7 -44.2 40.1 -4.7 16.3 331 34 B N H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.871 109.5 52.8 -66.6 -38.0 43.2 -3.8 18.3 332 35 B G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.916 111.4 46.7 -62.7 -43.2 44.7 -7.2 17.8 333 36 B L H X>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-2.0 0.878 112.4 50.0 -66.1 -38.4 44.2 -6.9 14.0 334 37 B L H <5S+ 0 0 31 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.888 112.0 48.1 -67.8 -38.4 45.7 -3.3 14.0 335 38 B A H <5S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 109.0 53.5 -66.6 -45.5 48.7 -4.5 16.0 336 39 B L H <5S- 0 0 3 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 124.7-102.1 -55.0 -46.1 49.2 -7.5 13.7 337 40 B G T <5S+ 0 0 19 -4,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.449 81.4 117.5 132.4 10.6 49.2 -5.1 10.7 338 41 B A < - 0 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101 B T B X S-s 395 0E 40 -4,-0.8 4,-2.0 1,-0.1 -2,-0.6 -0.983 74.0-119.8-148.1 150.8 22.9 -24.8 23.3 399 102 B P H > S+ 0 0 103 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.886 109.7 56.5 -61.6 -40.0 20.5 -25.6 20.4 400 103 B F H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.878 109.3 46.6 -60.6 -39.6 20.4 -22.0 19.1 401 104 B R H > S+ 0 0 26 2,-0.2 4,-2.8 -7,-0.2 5,-0.3 0.978 113.7 47.0 -66.1 -54.3 24.2 -21.8 18.7 402 105 B T H X S+ 0 0 20 -4,-2.0 4,-2.3 -8,-0.3 -2,-0.2 0.902 115.9 45.1 -52.8 -46.7 24.4 -25.2 17.0 403 106 B E H X S+ 0 0 84 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.854 112.3 51.5 -68.1 -36.0 21.6 -24.4 14.6 404 107 B S H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.901 110.2 48.5 -68.0 -41.7 22.9 -20.9 13.9 405 108 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.942 114.2 47.0 -62.0 -46.2 26.4 -22.3 13.1 406 109 B R H X S+ 0 0 85 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.860 107.7 56.5 -63.4 -36.7 24.6 -24.9 10.8 407 110 B D H X S+ 0 0 52 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.884 108.5 47.2 -61.4 -40.8 22.5 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30.2 -74.2 156.7 39.0 -45.3 27.5 438 141 B V S S- 0 0 128 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.936 91.8-108.9 59.4 98.1 39.4 -43.5 30.9 439 142 B D + 0 0 169 1,-0.2 -1,-0.1 0, 0.0 3,-0.1 -0.327 69.6 123.1 -57.9 128.1 38.9 -39.8 30.4 440 143 B A S S- 0 0 98 1,-0.4 -1,-0.2 -4,-0.1 2,-0.1 0.328 70.6 -27.9-149.6 -61.0 42.2 -37.9 30.8 441 144 B G S S- 0 0 57 1,-0.0 -1,-0.4 2,-0.0 0, 0.0 -0.350 85.0 -55.5-139.0-140.1 43.2 -35.8 27.9 442 145 B E - 0 0 84 -2,-0.1 2,-0.1 1,-0.1 4,-0.1 0.976 63.1-131.5 -78.1 -63.9 42.8 -35.6 24.1 443 146 B G - 0 0 42 3,-0.1 -1,-0.1 1,-0.1 -8,-0.0 -0.578 28.4 -92.9 149.2 -81.6 44.1 -39.0 23.0 444 147 B G S S+ 0 0 75 -2,-0.1 -1,-0.1 -8,-0.0 -8,-0.0 0.400 108.2 11.5 145.3 10.0 46.6 -39.1 20.2 445 148 B G S > S+ 0 0 17 -3,-0.1 4,-1.8 -10,-0.0 5,-0.1 0.279 99.7 87.5-179.1 -19.3 44.6 -39.5 17.0 446 149 B D H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.917 95.2 44.4 -64.5 -46.0 40.9 -39.0 17.8 447 150 B I H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.848 111.1 56.2 -67.1 -33.2 41.0 -35.2 17.3 448 151 B I H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 109.2 45.9 -65.6 -36.6 43.1 -35.8 14.1 449 152 B R H X S+ 0 0 136 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.906 110.6 53.4 -71.4 -43.5 40.3 -38.0 12.7 450 153 B L H X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.911 109.5 48.4 -57.0 -46.3 37.6 -35.5 13.7 451 154 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.940 113.1 44.7 -62.1 -51.3 39.3 -32.7 11.9 452 155 B Q H X S+ 0 0 35 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.854 115.9 47.3 -65.1 -34.8 39.9 -34.5 8.6 453 156 B Q H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 112.7 48.6 -74.3 -37.6 36.4 -36.0 8.6 454 157 B A H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.889 111.7 51.0 -66.5 -39.2 34.8 -32.6 9.3 455 158 B A H X>S+ 0 0 0 -4,-2.4 5,-1.4 -5,-0.2 4,-0.7 0.855 111.5 47.3 -66.4 -36.2 36.9 -31.1 6.6 456 159 B Q H <5S+ 0 0 103 -4,-1.6 -2,-0.2 17,-0.2 -1,-0.2 0.883 113.2 47.8 -73.8 -38.8 35.8 -33.7 4.1 457 160 B K H <5S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.937 123.7 31.2 -67.3 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141.1 38.5 -12.4 26.8 492 195 B G T 3> S+ 0 0 4 -2,-0.1 4,-2.9 -164,-0.1 -1,-0.2 0.525 79.9 124.5 90.4 5.9 38.5 -12.3 23.0 493 196 B A H <> S+ 0 0 13 -3,-1.2 4,-2.3 -6,-0.3 5,-0.1 0.993 83.4 30.0 -60.3 -64.1 41.6 -14.5 22.8 494 197 B G H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 117.6 59.7 -62.9 -39.6 40.0 -17.1 20.5 495 198 B S H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.945 109.3 43.2 -52.8 -50.5 37.8 -14.5 19.0 496 199 B L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.908 108.1 59.4 -63.8 -43.0 40.9 -12.5 17.9 497 200 B L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 103.3 51.3 -53.9 -44.5 42.7 -15.7 16.7 498 201 B T H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.909 110.4 49.3 -61.3 -40.2 39.9 -16.5 14.2 499 202 B S H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.850 108.3 53.4 -67.0 -34.6 40.1 -12.9 12.9 500 203 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.886 105.2 53.9 -66.6 -38.4 43.9 -13.3 12.6 501 204 B V H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 108.2 52.2 -59.5 -40.2 43.3 -16.5 10.6 502 205 B G H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.930 105.5 52.4 -60.0 -47.5 41.1 -14.2 8.4 503 206 B A H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 3,-0.2 0.906 112.9 45.5 -55.4 -44.3 43.9 -11.7 7.9 504 207 B F H >X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-1.2 0.856 107.4 56.5 -69.4 -35.3 46.2 -14.5 6.8 505 208 B C H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 99.3 64.4 -66.3 -23.2 43.5 -16.0 4.5 506 209 B A T 3< S+ 0 0 6 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.703 114.5 27.8 -72.9 -19.9 43.4 -12.6 2.8 507 210 B V T <4 S+ 0 0 2 -3,-1.2 2,-0.5 -4,-0.4 -219,-0.4 0.470 113.2 65.5-120.4 -5.0 47.0 -12.8 1.6 508 211 B E < - 0 0 2 -4,-1.4 -219,-0.2 -221,-0.2 -1,-0.2 -0.975 64.8-151.8-124.3 118.9 47.5 -16.6 1.2 509 212 B E S S+ 0 0 109 -221,-2.8 -220,-0.1 -2,-0.5 -1,-0.1 0.844 83.1 68.1 -55.1 -42.4 45.6 -18.5 -1.4 510 213 B N > - 0 0 47 -222,-0.3 4,-2.9 1,-0.2 3,-0.4 -0.730 68.7-160.3 -86.4 108.3 45.6 -21.9 0.4 511 214 B P H > S+ 0 0 36 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.798 90.2 59.3 -57.1 -29.7 43.5 -21.5 3.6 512 215 B L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.945 112.0 39.0 -64.1 -46.9 45.2 -24.5 5.2 513 216 B F H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.913 115.0 54.7 -67.8 -42.0 48.6 -22.8 4.9 514 217 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 45.8 -57.5 -45.4 47.0 -19.4 5.9 515 218 B A H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.891 112.4 50.6 -66.4 -41.0 45.5 -20.9 9.0 516 219 B I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.935 113.4 45.1 -62.4 -45.9 48.7 -22.6 10.0 517 220 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.891 114.4 48.9 -65.1 -41.4 50.7 -19.5 9.5 518 221 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.932 114.2 43.9 -64.6 -48.3 48.2 -17.4 11.4 519 222 B I H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.878 115.4 48.7 -65.9 -39.0 47.9 -19.7 14.4 520 223 B S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.940 113.1 47.0 -66.7 -46.7 51.7 -20.2 14.5 521 224 B S H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.921 114.3 47.0 -60.4 -46.4 52.3 -16.4 14.4 522 225 B Y H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.924 113.1 49.7 -61.2 -46.4 49.7 -15.7 17.0 523 226 B G H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -40,-0.5 0.898 109.7 49.5 -61.3 -44.2 51.0 -18.4 19.3 524 227 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.923 111.3 50.3 -62.1 -42.7 54.6 -17.2 19.0 525 228 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.895 109.5 51.6 -61.9 -39.5 53.5 -13.7 19.9 526 229 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.918 108.1 51.3 -64.1 -42.3 51.6 -15.1 22.9 527 230 B Q H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.936 111.6 46.9 -60.8 -45.4 54.7 -16.9 24.1 528 231 B L H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.890 112.5 50.4 -62.8 -40.4 56.8 -13.7 23.8 529 232 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.908 109.2 51.1 -64.9 -41.5 54.1 -11.7 25.6 530 233 B A H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.853 109.2 51.4 -64.2 -35.5 53.9 -14.3 28.4 531 234 B Q H < S+ 0 0 120 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.894 113.5 42.9 -70.0 -39.7 57.7 -14.1 28.9 532 235 B Q H < S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.5 49.9 -71.9 -41.9 57.7 -10.3 29.2 533 236 B T H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 2,-0.3 0.907 79.6 163.7 -62.7 -43.2 54.6 -10.3 31.4 534 237 B A T 3< S- 0 0 52 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 -0.432 73.0 -20.9 61.5-119.7 56.1 -13.0 33.7 535 238 B D T 3 S+ 0 0 155 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.143 105.3 108.3-107.9 18.5 54.0 -12.9 36.9 536 239 B K S < S- 0 0 104 -3,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.867 82.2-110.9 -64.2 -36.1 52.5 -9.4 36.5 537 240 B G > - 0 0 11 -3,-0.3 4,-1.9 1,-0.1 -1,-0.2 -0.634 30.4 -61.9 130.6 171.6 49.1 -10.7 35.8 538 241 B P H > S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.745 124.9 58.1 -65.7 -24.8 46.4 -11.2 33.1 539 242 B G H > S+ 0 0 0 289,-0.2 4,-1.6 2,-0.2 5,-0.2 0.960 109.0 43.2 -69.5 -51.2 46.0 -7.5 32.7 540 243 B S H > S+ 0 0 18 288,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 111.9 55.6 -61.9 -35.3 49.6 -7.0 31.8 541 244 B F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.906 102.5 55.8 -65.0 -41.0 49.5 -10.0 29.5 542 245 B Q H X S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.944 111.5 43.1 -54.7 -50.1 46.5 -8.6 27.5 543 246 B I H X S+ 0 0 10 -4,-1.6 4,-2.2 1,-0.2 -288,-0.2 0.872 113.0 53.3 -65.5 -36.6 48.5 -5.5 26.7 544 247 B E H X S+ 0 0 25 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.835 102.9 56.6 -69.0 -33.6 51.6 -7.5 26.0 545 248 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.917 109.5 46.4 -64.1 -40.6 49.8 -9.7 23.5 546 249 B L H X S+ 0 0 2 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.926 113.1 50.3 -65.7 -42.8 48.8 -6.6 21.6 547 250 B N H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-1.1 0.957 112.7 45.5 -58.3 -52.1 52.4 -5.4 21.8 548 251 B K H 3X S+ 0 0 25 -4,-3.2 4,-2.8 1,-0.3 -1,-0.2 0.741 100.2 65.8 -66.0 -27.3 53.9 -8.6 20.5 549 252 B L H 3< S+ 0 0 1 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.756 113.2 37.4 -65.7 -20.5 51.4 -9.0 17.7 550 253 B S H << S+ 0 0 38 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.810 122.8 39.9 -96.5 -37.2 53.1 -5.9 16.4 551 254 B T H < S+ 0 0 54 -4,-1.9 -3,-0.2 -300,-0.2 -2,-0.2 0.699 82.7 111.6 -88.6 -19.4 56.7 -6.6 17.4 552 255 B V < - 0 0 1 -4,-2.8 2,-0.2 -5,-0.2 -27,-0.1 -0.307 58.1-150.9 -55.8 134.5 56.9 -10.4 16.6 553 256 B T > - 0 0 49 1,-0.1 4,-1.9 -32,-0.0 3,-0.3 -0.610 28.8-108.2-109.3 168.3 59.3 -10.8 13.7 554 257 B E H > S+ 0 0 39 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.898 122.9 54.6 -56.9 -39.9 59.7 -13.2 10.8 555 258 B Q H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 103.1 53.5 -64.4 -35.5 62.7 -14.4 12.7 556 259 B D H > S+ 0 0 34 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.904 111.1 47.1 -66.6 -39.8 60.7 -15.1 15.8 557 260 B V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.949 111.8 49.3 -65.6 -48.9 58.3 -17.3 13.8 558 261 B Q H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 117.3 42.6 -56.1 -43.3 61.1 -19.2 12.1 559 262 B E H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.862 128.5 23.1 -74.3 -38.5 62.8 -19.8 15.4 560 263 B W H < S+ 0 0 104 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.666 84.6 111.9-107.3 -19.5 59.8 -20.7 17.6 561 264 B A < - 0 0 14 -4,-2.9 2,-0.7 -5,-0.3 -261,-0.2 -0.392 48.9-159.1 -61.3 125.4 56.9 -21.9 15.3 562 265 B T + 0 0 61 -2,-0.2 -81,-2.3 -42,-0.1 2,-0.5 -0.865 21.1 165.8-111.0 98.0 56.3 -25.6 16.0 563 266 B I E -R 480 0D 30 -2,-0.7 2,-0.4 -83,-0.2 -83,-0.2 -0.953 10.5-176.2-117.1 126.9 54.5 -27.1 12.9 564 267 B E E -R 479 0D 107 -85,-2.4 -85,-2.9 -2,-0.5 2,-0.4 -0.975 19.7-141.0-130.0 124.8 54.2 -30.8 12.3 565 268 B R E -R 478 0D 92 -2,-0.4 2,-0.4 -87,-0.2 -87,-0.2 -0.672 26.9-127.7 -81.1 127.3 52.7 -32.6 9.4 566 269 B V - 0 0 35 -89,-2.8 2,-0.5 -2,-0.4 -89,-0.4 -0.647 15.7-130.4 -81.3 126.2 50.7 -35.7 10.5 567 270 B T - 0 0 138 -2,-0.4 2,-0.5 -91,-0.1 -1,-0.1 -0.645 27.1-176.8 -77.1 119.8 51.6 -38.9 8.6 568 271 B V 0 0 88 -2,-0.5 -1,-0.0 -91,-0.0 -2,-0.0 -0.830 360.0 360.0-124.7 94.3 48.5 -40.6 7.4 569 272 B S 0 0 182 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.318 360.0 360.0 -92.2 360.0 49.0 -44.0 5.7 570 !* 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 0.0 571 -11 C M 0 0 118 0, 0.0 2,-1.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -2.3 28.8 -24.4 45.5 572 -10 C R + 0 0 102 221,-0.1 221,-0.2 222,-0.0 220,-0.2 -0.637 360.0 160.8 -86.4 85.3 26.7 -22.0 47.4 573 -9 C G B -t 793 0F 30 -2,-1.5 221,-2.8 219,-1.3 2,-0.5 -0.078 44.4-101.0 -91.8-165.8 27.9 -22.7 51.0 574 -8 C S + 0 0 65 219,-0.2 219,-0.1 220,-0.1 3,-0.1 -0.956 35.5 170.2-123.6 108.6 27.7 -20.7 54.3 575 -7 C H + 0 0 45 -2,-0.5 2,-0.3 1,-0.2 15,-0.1 0.377 65.4 14.3-102.2 3.1 30.9 -19.0 55.2 576 -6 C H - 0 0 19 7,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.935 53.7-166.2-171.7 150.6 29.7 -16.9 58.1 577 -5 C H > - 0 0 87 -2,-0.3 3,-2.0 -3,-0.1 4,-0.1 -0.996 30.2-129.2-143.0 143.2 26.8 -16.5 60.5 578 -4 C H G > S+ 0 0 37 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.729 105.3 74.3 -63.2 -20.5 26.0 -13.6 62.8 579 -3 C H G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.638 98.7 47.0 -66.4 -13.3 25.7 -16.2 65.6 580 -2 C H G < S- 0 0 168 -3,-2.0 -1,-0.3 1,-0.5 2,-0.2 0.291 129.0 -85.5-108.5 5.2 29.5 -16.3 65.5 581 -1 C G < - 0 0 35 -3,-1.8 -1,-0.5 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