==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 07-JUL-11 3SRK . COMPND 2 MOLECULE: PYRUVATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR H.P.MORGAN,M.WALSH,E.A.BLACKBURN,M.A.WEAR,M.BOXER,M.SHEN,I.W . 898 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 73 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 4 3 3 2 1 3 2 1 5 0 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 13 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A M 0 0 56 0, 0.0 2,-0.2 0, 0.0 359,-0.0 0.000 360.0 360.0 360.0 54.0 52.0 38.0 3.0 2 1 A S > - 0 0 11 1,-0.1 4,-2.1 357,-0.1 5,-0.1 -0.558 360.0-154.6-178.9 124.1 51.3 38.3 6.7 3 2 A Q H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 103.5 53.3 -64.7 -44.4 48.0 38.8 8.5 4 3 A L H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.927 110.5 46.5 -50.4 -52.1 50.0 40.3 11.5 5 4 A A H > S+ 0 0 30 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.858 112.3 50.9 -61.6 -38.0 51.7 42.7 9.1 6 5 A H H >< S+ 0 0 47 -4,-2.1 3,-1.1 1,-0.2 4,-0.4 0.865 102.0 61.0 -66.8 -38.8 48.4 43.6 7.5 7 6 A N H >< S+ 0 0 7 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.830 97.1 60.9 -55.3 -35.4 46.8 44.3 10.9 8 7 A L H 3< S+ 0 0 36 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.769 104.4 47.3 -64.4 -29.6 49.4 47.0 11.5 9 8 A T T << S+ 0 0 105 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.432 93.2 107.5 -94.2 -2.7 48.2 49.0 8.4 10 9 A L < - 0 0 32 -3,-1.0 2,-0.3 -4,-0.4 347,-0.1 -0.429 44.8-170.9 -83.5 151.4 44.5 48.7 9.3 11 10 A S > - 0 0 51 -2,-0.1 3,-1.4 3,-0.0 644,-0.0 -0.964 21.3-145.4-140.5 124.4 42.1 51.4 10.7 12 11 A I T 3 S+ 0 0 4 -2,-0.3 4,-0.1 1,-0.3 674,-0.1 0.454 99.2 60.4 -69.0 1.2 38.6 50.6 11.9 13 12 A F T 3 S+ 0 0 86 2,-0.1 -1,-0.3 669,-0.0 3,-0.1 0.631 78.4 102.1-102.4 -19.7 37.4 54.0 10.6 14 13 A D S < S- 0 0 94 -3,-1.4 -3,-0.0 1,-0.1 -4,-0.0 -0.392 87.3 -93.1 -62.7 140.6 38.3 53.3 6.9 15 14 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.222 43.7-111.3 -60.0 147.0 35.2 52.4 4.8 16 15 A V - 0 0 63 1,-0.2 337,-0.1 -3,-0.1 336,-0.0 -0.085 48.9 -63.6 -71.5 173.6 34.4 48.7 4.3 17 16 A A - 0 0 27 335,-0.5 -1,-0.2 1,-0.1 339,-0.1 -0.095 34.5-126.5 -59.3 155.5 34.7 46.7 1.1 18 17 A N S S+ 0 0 116 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.381 95.6 32.5 -81.5 2.5 32.7 47.5 -2.1 19 18 A Y S S- 0 0 22 333,-0.1 2,-0.6 451,-0.0 -2,-0.1 -0.980 74.4-130.5-156.6 145.3 31.6 43.8 -2.1 20 19 A R - 0 0 59 -2,-0.3 417,-0.1 1,-0.2 332,-0.1 -0.905 18.2-174.3-101.3 120.8 30.9 41.0 0.4 21 20 A A + 0 0 8 -2,-0.6 416,-2.0 415,-0.1 417,-0.4 0.920 57.1 84.2 -79.0 -47.6 32.7 37.8 -0.4 22 21 A A S S- 0 0 7 414,-0.2 2,-0.3 415,-0.1 305,-0.2 -0.207 71.5-135.2 -63.2 148.2 31.2 35.4 2.2 23 22 A R E -a 327 0A 14 303,-2.1 305,-2.3 411,-0.1 2,-0.5 -0.844 8.0-139.4-112.9 144.1 27.9 33.7 1.6 24 23 A I E -ab 328 46A 0 21,-0.6 23,-2.5 -2,-0.3 24,-1.5 -0.875 7.8-162.2-110.2 124.6 25.0 33.3 4.0 25 24 A I E -ab 329 48A 0 303,-2.4 305,-2.8 -2,-0.5 2,-0.4 -0.920 11.2-166.9-104.6 118.1 22.8 30.1 4.4 26 25 A C E -ab 330 49A 0 22,-2.1 24,-2.9 -2,-0.6 2,-0.5 -0.867 17.1-133.0-103.9 137.0 19.5 30.7 6.1 27 26 A T E - b 0 50A 5 303,-1.1 2,-0.5 -2,-0.4 24,-0.2 -0.766 22.7-135.3 -86.9 130.8 17.3 27.8 7.4 28 27 A I + 0 0 7 22,-2.3 24,-0.4 -2,-0.5 307,-0.2 -0.769 41.7 139.0 -93.6 123.7 13.7 28.2 6.3 29 28 A G >> - 0 0 3 305,-0.6 3,-1.8 -2,-0.5 4,-1.5 -0.589 67.2 -48.6-138.7-158.7 11.0 27.6 9.0 30 29 A P T 34 S+ 0 0 100 0, 0.0 4,-0.3 0, 0.0 306,-0.2 0.798 131.7 50.6 -50.9 -35.5 7.7 28.9 10.4 31 30 A S T 34 S+ 0 0 47 304,-2.4 305,-0.1 1,-0.2 304,-0.1 0.633 122.6 27.7 -78.9 -15.8 9.0 32.4 10.5 32 31 A T T <4 S+ 0 0 0 -3,-1.8 -1,-0.2 303,-0.4 9,-0.1 0.418 84.6 98.7-131.1 0.1 10.3 32.5 6.9 33 32 A Q < + 0 0 37 -4,-1.5 -2,-0.1 302,-0.2 34,-0.1 0.841 62.8 91.2 -67.3 -35.8 8.3 30.2 4.6 34 33 A S S > S- 0 0 68 -4,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.201 86.2-115.3 -61.8 152.1 6.0 32.8 3.1 35 34 A V H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 113.8 49.8 -55.1 -47.1 7.1 34.5 -0.2 36 35 A E H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 109.2 51.8 -63.7 -37.4 7.4 38.0 1.4 37 36 A A H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.834 112.9 46.2 -67.0 -35.0 9.5 36.7 4.3 38 37 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.868 108.8 54.5 -72.4 -40.6 11.8 35.1 1.7 39 38 A K H X S+ 0 0 46 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.838 112.2 45.0 -60.8 -34.3 11.8 38.3 -0.3 40 39 A G H X S+ 0 0 11 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.832 112.3 51.7 -74.2 -35.8 13.0 40.1 2.8 41 40 A L H X>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.2 4,-1.8 0.879 110.0 48.2 -69.2 -41.7 15.5 37.4 3.6 42 41 A I H <5S+ 0 0 19 -4,-2.9 3,-0.2 3,-0.2 -2,-0.2 0.951 112.4 48.5 -61.7 -50.7 17.1 37.5 0.1 43 42 A Q H <5S+ 0 0 150 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 108.7 56.1 -61.2 -29.4 17.3 41.3 0.3 44 43 A S H <5S- 0 0 12 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.873 135.1 -77.3 -70.3 -40.9 18.9 41.0 3.8 45 44 A G T <5S+ 0 0 7 -4,-1.8 -21,-0.6 -3,-0.2 2,-0.2 0.471 74.4 149.1 153.2 17.1 21.7 38.7 2.5 46 45 A M E < +b 24 0A 7 -5,-2.0 -21,-0.2 1,-0.2 3,-0.1 -0.523 9.1 163.9 -74.6 135.5 20.5 35.1 1.8 47 46 A S E + 0 0 17 -23,-2.5 33,-1.9 1,-0.3 2,-0.4 0.581 69.4 37.1-114.3 -28.9 22.2 33.2 -1.0 48 47 A V E -bc 25 80A 0 -24,-1.5 -22,-2.1 31,-0.2 2,-0.6 -0.993 65.9-147.1-133.6 129.8 21.1 29.6 0.0 49 48 A A E -bc 26 81A 1 31,-2.9 33,-3.2 -2,-0.4 2,-0.5 -0.864 19.8-153.0 -94.3 119.3 17.8 28.3 1.4 50 49 A R E -bc 27 82A 17 -24,-2.9 -22,-2.3 -2,-0.6 2,-0.6 -0.815 4.3-158.8 -96.6 128.6 18.4 25.4 3.8 51 50 A M E - c 0 83A 1 31,-2.8 33,-3.0 -2,-0.5 2,-0.8 -0.939 10.1-148.0-106.3 118.2 15.7 22.8 4.3 52 51 A N E > - c 0 84A 36 -2,-0.6 3,-0.9 -24,-0.4 33,-0.1 -0.779 11.4-172.0 -89.0 110.6 16.0 20.8 7.5 53 52 A F T 3 S+ 0 0 0 31,-2.8 33,-0.5 -2,-0.8 -1,-0.1 0.091 72.9 85.6 -92.5 21.9 14.6 17.2 7.0 54 53 A S T 3 S+ 0 0 34 31,-0.2 2,-0.2 32,-0.1 -1,-0.2 0.737 104.6 25.3 -77.4 -30.3 14.9 16.4 10.7 55 54 A H S < S+ 0 0 113 -3,-0.9 31,-0.0 2,-0.1 -1,-0.0 -0.754 99.9 38.7-124.8 169.3 11.5 18.0 10.8 56 55 A G - 0 0 46 -2,-0.2 2,-0.1 -3,-0.1 0, 0.0 0.378 69.8 -93.3 75.0 156.3 8.5 18.6 8.5 57 56 A S > - 0 0 68 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.448 36.6 -99.5 -99.3 174.2 6.8 16.6 5.7 58 57 A H H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.869 123.9 52.5 -59.6 -40.7 7.3 16.5 1.9 59 58 A E H > S+ 0 0 162 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.847 109.6 50.4 -64.3 -36.4 4.3 18.8 1.4 60 59 A Y H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.931 113.8 42.1 -66.9 -49.5 5.8 21.3 3.9 61 60 A H H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.740 106.9 64.9 -71.0 -23.7 9.2 21.4 2.2 62 61 A Q H X S+ 0 0 42 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.902 101.0 48.9 -62.5 -43.4 7.5 21.5 -1.2 63 62 A T H X S+ 0 0 53 -4,-1.3 4,-3.3 -3,-0.2 5,-0.2 0.855 109.7 53.3 -65.6 -35.5 6.0 24.9 -0.4 64 63 A T H X S+ 0 0 2 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.960 109.2 47.8 -59.0 -53.7 9.5 26.0 0.7 65 64 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 116.4 45.1 -52.9 -48.8 10.9 24.8 -2.7 66 65 A N H X S+ 0 0 84 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.963 113.7 46.9 -58.5 -57.3 8.0 26.7 -4.5 67 66 A N H X S+ 0 0 36 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.837 110.1 52.5 -59.4 -40.1 8.2 29.9 -2.5 68 67 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.944 110.2 49.6 -59.5 -47.7 12.0 30.3 -2.8 69 68 A R H X S+ 0 0 101 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.834 113.2 45.9 -61.7 -36.0 11.7 29.9 -6.5 70 69 A Q H X S+ 0 0 100 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 113.2 48.3 -74.2 -42.4 9.0 32.5 -6.7 71 70 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.799 112.1 51.5 -66.2 -30.3 10.8 35.0 -4.5 72 71 A A H <>S+ 0 0 9 -4,-2.2 5,-2.7 -5,-0.2 3,-0.4 0.911 111.4 45.7 -70.6 -44.1 13.9 34.4 -6.6 73 72 A A H ><5S+ 0 0 79 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.845 109.4 55.2 -67.8 -36.7 12.1 35.1 -9.9 74 73 A E H 3<5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.692 113.7 40.8 -71.9 -21.5 10.4 38.3 -8.5 75 74 A L T 3<5S- 0 0 58 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.343 111.6-117.0-106.5 2.9 13.7 39.8 -7.5 76 75 A G T < 5S+ 0 0 69 -3,-0.7 2,-0.3 -4,-0.3 -3,-0.2 0.830 73.4 123.0 65.1 35.6 15.6 38.7 -10.6 77 76 A V < - 0 0 57 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.796 61.5-125.0-124.5 164.6 18.0 36.6 -8.6 78 77 A N - 0 0 56 -2,-0.3 2,-0.5 362,-0.1 362,-0.1 -0.959 27.3-170.1-111.9 119.0 19.2 33.0 -8.4 79 78 A I - 0 0 9 -2,-0.5 -31,-0.2 -11,-0.1 2,-0.2 -0.935 17.3-132.0-115.1 128.7 18.9 31.3 -5.1 80 79 A A E -c 48 0A 0 -33,-1.9 -31,-2.9 -2,-0.5 2,-0.5 -0.494 15.4-148.2 -74.9 144.3 20.4 27.9 -4.2 81 80 A I E -c 49 0A 3 -33,-0.2 126,-1.8 -2,-0.2 127,-1.3 -0.975 13.6-164.8-119.5 122.1 18.2 25.3 -2.5 82 81 A A E -cd 50 208A 0 -33,-3.2 -31,-2.8 -2,-0.5 2,-0.6 -0.898 12.0-150.7-115.0 134.0 19.8 22.9 -0.0 83 82 A L E -cd 51 209A 0 125,-2.5 127,-2.7 -2,-0.4 2,-0.7 -0.905 10.5-162.3-102.1 115.5 18.4 19.6 1.4 84 83 A D E -cd 52 210A 0 -33,-3.0 -31,-2.8 -2,-0.6 127,-0.2 -0.872 17.6-138.8-100.3 109.0 19.8 18.8 4.9 85 84 A T - 0 0 4 125,-1.1 -31,-0.2 -2,-0.7 109,-0.0 -0.223 9.8-133.3 -66.1 152.5 19.2 15.1 5.7 86 85 A K - 0 0 63 -33,-0.5 -1,-0.1 126,-0.1 -32,-0.1 0.898 46.8-160.4 -67.9 -43.6 18.1 13.9 9.1 87 86 A G - 0 0 4 -34,-0.1 2,-0.1 125,-0.1 103,-0.1 0.010 27.7 -46.8 84.4 167.4 20.7 11.2 9.0 88 87 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 99,-0.1 -0.479 62.8-166.1 -71.9 144.9 21.1 7.9 11.0 89 88 A E - 0 0 73 -2,-0.1 2,-0.5 39,-0.0 90,-0.1 -0.921 25.4-145.1-135.5 155.9 20.6 8.1 14.7 90 89 A I + 0 0 10 88,-0.4 88,-3.7 -2,-0.3 2,-0.3 -0.975 35.5 168.5-119.4 112.7 21.1 6.2 18.0 91 90 A R B -I 177 0B 69 -2,-0.5 37,-2.4 86,-0.3 86,-0.2 -0.852 33.5-111.8-123.6 158.3 18.2 6.8 20.4 92 91 A T B -J 127 0C 2 84,-2.6 35,-0.3 -2,-0.3 -1,-0.1 -0.251 36.6-113.7 -70.8 170.4 16.9 5.4 23.7 93 92 A G - 0 0 1 33,-1.8 82,-2.1 1,-0.2 83,-0.4 0.022 44.8 -69.1 -85.5-158.9 13.6 3.5 23.9 94 93 A Q - 0 0 66 23,-3.1 26,-0.7 80,-0.2 2,-0.3 -0.348 44.3-136.7 -88.1 173.5 10.4 4.6 25.7 95 94 A F B > -k 120 0D 11 24,-0.2 3,-1.1 23,-0.1 2,-0.6 -0.969 21.0-105.6-134.5 151.4 9.9 4.9 29.5 96 95 A V T 3 S+ 0 0 98 24,-2.7 3,-0.3 -2,-0.3 23,-0.1 -0.656 112.2 5.3 -75.8 116.2 7.1 3.9 31.9 97 96 A G T 3 S- 0 0 77 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.363 118.5 -90.8 87.3 -4.1 5.4 7.2 32.9 98 97 A G S < S+ 0 0 22 -3,-1.1 76,-0.5 1,-0.2 2,-0.2 -0.050 100.3 83.3 95.5 -31.9 7.6 9.1 30.4 99 98 A D - 0 0 100 -3,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.656 51.1-164.6-108.8 159.8 10.5 9.9 32.7 100 99 A A E -L 172 0E 3 72,-1.8 72,-2.1 -2,-0.2 2,-0.8 -0.842 15.8-150.8-142.1 105.0 13.6 8.3 34.0 101 100 A V E -L 171 0E 67 -2,-0.3 2,-0.8 70,-0.2 70,-0.2 -0.658 12.1-164.2 -80.7 109.0 15.2 9.9 37.1 102 101 A M E -L 170 0E 6 68,-1.4 68,-2.0 -2,-0.8 2,-0.3 -0.845 5.0-164.6-101.0 106.9 19.0 9.2 36.9 103 102 A E > - 0 0 110 -2,-0.8 3,-1.5 66,-0.2 63,-0.2 -0.671 29.1 -99.5 -92.1 144.1 20.7 9.9 40.3 104 103 A R T 3 S+ 0 0 181 -2,-0.3 63,-0.2 1,-0.2 3,-0.1 -0.321 106.5 21.5 -62.4 140.1 24.5 10.2 40.5 105 104 A G T 3 S+ 0 0 57 61,-3.0 -1,-0.2 1,-0.3 62,-0.1 0.365 94.8 130.8 84.5 -4.1 26.4 7.1 41.8 106 105 A A < - 0 0 37 -3,-1.5 60,-3.0 60,-0.3 2,-0.4 -0.423 55.1-127.5 -80.1 154.8 23.5 4.9 40.7 107 106 A T E +M 165 0F 71 58,-0.2 2,-0.3 -2,-0.1 58,-0.2 -0.874 32.8 169.5-103.1 135.7 23.9 1.7 38.7 108 107 A C E -M 164 0F 1 56,-2.0 56,-3.0 -2,-0.4 2,-0.4 -0.903 24.9-130.1-138.4 169.0 21.8 1.1 35.5 109 108 A Y E -Mn 163 124F 69 14,-2.5 16,-1.9 -2,-0.3 2,-0.5 -0.984 10.0-161.7-129.0 127.6 21.7 -1.3 32.6 110 109 A V E -Mn 162 125F 0 52,-2.2 52,-3.0 -2,-0.4 2,-0.3 -0.924 17.1-176.5-107.4 131.3 21.5 -0.5 28.9 111 110 A T E -Mn 161 126F 1 14,-2.4 16,-1.8 -2,-0.5 50,-0.2 -0.943 34.2-150.9-131.3 148.6 20.4 -3.2 26.5 112 111 A T + 0 0 7 48,-1.3 49,-0.1 -2,-0.3 14,-0.1 0.282 61.7 124.3 -95.0 7.7 19.9 -3.7 22.7 113 112 A D > - 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f 0 260A 13 -28,-3.0 -25,-2.0 -2,-0.5 2,-0.7 -0.730 9.7-150.3 -85.0 116.1 28.6 17.3 7.6 240 239 A I E + f 0 261A 0 20,-2.3 22,-1.3 -2,-0.6 26,-0.3 -0.794 31.9 154.8 -90.4 116.0 31.4 16.5 10.0 241 240 A E + 0 0 22 -2,-0.7 28,-0.3 -27,-0.4 2,-0.2 0.572 54.2 23.1-122.4 -18.5 29.8 15.7 13.3 242 241 A N S > S- 0 0 0 -28,-0.3 4,-1.6 27,-0.1 3,-0.2 -0.804 89.3 -82.7-141.7-175.7 32.2 13.4 15.3 243 242 A H H > S+ 0 0 24 -2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.843 120.7 61.6 -61.4 -36.8 35.8 12.3 15.7 244 243 A Q H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 105.5 46.2 -53.7 -51.3 35.4 9.8 12.8 245 244 A G H 4 S+ 0 0 0 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.863 115.7 46.6 -59.9 -39.5 34.7 12.7 10.3 246 245 A V H >< S+ 0 0 14 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.916 112.7 49.3 -68.5 -45.2 37.6 14.7 11.8 247 246 A Q H 3< S+ 0 0 119 -4,-3.8 3,-0.3 1,-0.2 -2,-0.2 0.844 119.9 36.7 -62.5 -35.0 40.0 11.7 11.6 248 247 A N T >X S+ 0 0 65 -4,-2.2 4,-1.8 -5,-0.2 3,-0.6 0.172 79.0 121.4-106.1 17.0 39.1 10.9 8.0 249 248 A I H <> + 0 0 7 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.756 66.4 61.2 -55.4 -32.9 38.7 14.4 6.7 250 249 A D H 3> S+ 0 0 103 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.930 111.3 35.9 -63.5 -48.8 41.3 14.1 4.0 251 250 A S H <> S+ 0 0 45 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.783 116.3 56.1 -75.4 -28.7 39.6 11.3 2.0 252 251 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.913 107.4 47.7 -69.2 -44.9 36.2 12.8 2.8 253 252 A I H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 108.5 57.0 -56.5 -45.1 37.1 16.1 1.3 254 253 A E H < S+ 0 0 140 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.834 117.0 32.9 -57.9 -37.3 38.5 14.3 -1.7 255 254 A E H < S+ 0 0 111 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.834 109.1 77.9 -87.9 -38.9 35.2 12.6 -2.4 256 255 A S S < S- 0 0 1 -4,-3.1 -19,-0.2 -5,-0.1 3,-0.1 -0.083 73.6-136.1 -66.1 167.0 32.8 15.3 -1.2 257 256 A D S S- 0 0 51 -21,-3.1 2,-0.3 1,-0.3 -20,-0.2 0.316 85.0 -29.2 -98.5 2.1 31.9 18.5 -3.1 258 257 A G E -f 237 0A 0 -22,-0.8 -20,-2.8 -6,-0.2 2,-0.4 -0.918 63.7-104.5 161.6 173.3 32.4 20.4 0.2 259 258 A I E -fg 238 293A 0 33,-1.9 35,-2.7 -22,-0.3 2,-0.5 -0.945 8.8-154.7-130.7 142.2 32.3 20.3 4.0 260 259 A M E -fg 239 294A 2 -22,-2.6 -20,-2.3 -2,-0.4 2,-1.0 -0.967 13.5-148.7-114.8 116.2 30.1 21.6 6.8 261 260 A V E -fg 240 295A 0 33,-2.8 35,-2.3 -2,-0.5 2,-1.2 -0.741 14.0-167.3 -78.9 103.8 31.7 22.2 10.2 262 261 A A E > + g 0 296A 0 -22,-1.3 4,-2.6 -2,-1.0 5,-0.2 -0.699 10.1 177.0 -97.0 81.2 28.8 21.4 12.5 263 262 A R H > S+ 0 0 0 33,-1.2 4,-2.8 -2,-1.2 -1,-0.2 0.823 75.9 53.8 -57.0 -39.9 30.2 22.8 15.7 264 263 A G H 4 S+ 0 0 22 32,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.963 112.9 42.2 -58.6 -55.2 27.1 22.0 17.8 265 264 A D H >> S+ 0 0 60 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.901 117.6 47.8 -57.1 -46.1 27.0 18.4 16.8 266 265 A L H >X S+ 0 0 0 -4,-2.6 4,-2.7 -26,-0.3 3,-0.9 0.878 104.4 60.3 -63.5 -41.4 30.8 18.1 17.2 267 266 A G H 3< S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.2 5,-0.2 0.510 91.4 69.8 -69.5 -7.4 30.8 19.8 20.6 268 267 A V H <4 S+ 0 0 35 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.907 117.7 18.5 -70.3 -43.7 28.5 17.1 22.0 269 268 A E H << S+ 0 0 20 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.772 124.5 55.0-100.5 -33.4 31.3 14.5 21.9 270 269 A I S < S- 0 0 15 -4,-2.7 5,-0.1 1,-0.1 -1,-0.1 -0.844 94.1 -98.3-108.7 138.4 34.5 16.7 21.7 271 270 A P >> - 0 0 62 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.257 35.3-118.9 -51.3 140.1 35.5 19.4 24.1 272 271 A A H 3> S+ 0 0 18 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.808 111.5 56.6 -54.6 -37.2 34.5 22.9 22.8 273 272 A E H 3> S+ 0 0 13 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.786 107.6 48.1 -69.2 -28.0 38.1 24.1 22.7 274 273 A K H <> S+ 0 0 42 -3,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.795 107.1 56.4 -78.9 -30.1 39.2 21.2 20.4 275 274 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.867 102.1 56.6 -67.6 -37.4 36.2 21.9 18.1 276 275 A V H X S+ 0 0 5 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.883 111.6 42.7 -57.7 -42.2 37.5 25.4 17.7 277 276 A V H X S+ 0 0 6 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.918 110.3 55.6 -71.6 -43.9 40.8 24.0 16.5 278 277 A A H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.870 104.9 55.0 -54.0 -39.0 39.0 21.4 14.4 279 278 A Q H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.940 107.5 48.7 -57.9 -49.9 37.2 24.3 12.7 280 279 A K H X S+ 0 0 20 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.924 114.8 45.0 -54.1 -52.0 40.6 25.9 11.8 281 280 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.957 113.6 47.7 -57.4 -57.0 41.9 22.6 10.4 282 281 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.875 113.7 46.5 -59.2 -43.7 38.8 21.7 8.4 283 282 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.950 113.6 47.9 -64.0 -50.3 38.4 25.1 6.8 284 283 A S H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.905 110.9 51.8 -58.0 -44.0 42.1 25.4 5.8 285 284 A K H X S+ 0 0 26 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.895 111.2 47.5 -58.2 -43.9 42.0 21.9 4.3 286 285 A C H X>S+ 0 0 0 -4,-2.0 5,-1.5 -5,-0.2 4,-0.8 0.873 108.0 55.4 -65.2 -39.7 39.0 22.8 2.2 287 286 A N H <5S+ 0 0 9 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.890 109.7 46.9 -59.7 -40.1 40.6 26.0 1.1 288 287 A V H <5S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.0 49.2 -69.3 -33.9 43.6 24.1 -0.2 289 288 A A H <5S- 0 0 46 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.495 109.3-122.3 -86.4 -5.5 41.3 21.5 -1.9 290 289 A G T <5 + 0 0 18 -4,-0.8 -3,-0.2 -3,-0.5 122,-0.1 0.554 67.1 133.2 77.1 9.2 39.2 24.2 -3.7 291 290 A K < - 0 0 50 -5,-1.5 -1,-0.3 -6,-0.2 -33,-0.2 -0.712 62.4-104.9 -95.5 142.8 36.0 23.0 -2.1 292 291 A P - 0 0 3 0, 0.0 -33,-1.9 0, 0.0 2,-0.4 -0.368 35.8-162.7 -60.6 138.9 33.3 25.2 -0.4 293 292 A V E -g 259 0A 0 -35,-0.2 34,-2.2 141,-0.2 33,-1.6 -0.996 3.2-153.9-130.2 135.2 33.3 25.0 3.4 294 293 A I E -gh 260 327A 0 -35,-2.7 -33,-2.8 -2,-0.4 2,-0.7 -0.896 9.6-148.7-111.1 131.5 30.4 26.1 5.7 295 294 A C E +gh 261 328A 0 32,-2.8 34,-2.4 -2,-0.4 2,-0.3 -0.900 39.1 177.6 -93.7 116.3 30.7 27.2 9.3 296 295 A A E +g 262 0A 0 -35,-2.3 -33,-1.2 -2,-0.7 -32,-0.3 -0.823 22.3 28.0-130.3 160.8 27.4 26.1 10.8 297 296 A T S S+ 0 0 24 -2,-0.3 -34,-0.2 -35,-0.2 32,-0.1 0.592 102.2 31.7 66.8 140.1 25.4 25.9 14.0 298 297 A Q S S+ 0 0 68 -35,-0.1 32,-0.1 1,-0.1 4,-0.1 0.849 75.2 136.4 54.7 43.0 25.5 28.2 17.0 299 298 A M S S- 0 0 0 30,-0.2 18,-0.3 1,-0.1 17,-0.1 0.957 85.7 -11.3 -83.9 -57.2 26.4 31.2 14.9 300 299 A L S > S+ 0 0 0 1,-0.1 3,-1.1 16,-0.1 4,-0.1 -0.352 83.0 153.0-139.5 54.9 24.2 34.0 16.3 301 300 A E G > + 0 0 106 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.803 64.3 60.0 -62.8 -39.9 21.8 32.0 18.5 302 301 A S G >> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 3,-1.2 0.761 94.8 67.2 -62.6 -23.2 20.9 34.6 21.1 303 302 A M G <4 S+ 0 0 8 -3,-1.1 36,-0.4 1,-0.2 -1,-0.3 0.508 76.3 85.8 -76.1 -4.8 19.5 36.7 18.3 304 303 A T G <4 S+ 0 0 13 -3,-2.0 34,-2.7 33,-0.1 35,-0.3 0.849 117.8 3.5 -60.0 -34.4 16.8 34.0 17.8 305 304 A Y T <4 S+ 0 0 160 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.508 123.2 73.9-130.4 -13.8 14.8 35.9 20.5 306 305 A N S < S- 0 0 90 -4,-2.0 33,-0.1 1,-0.1 32,-0.1 -0.803 76.0-129.6-101.0 147.9 16.9 39.0 21.4 307 306 A P S S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.759 95.3 31.3 -64.2 -25.8 17.2 42.1 19.1 308 307 A R S S- 0 0 201 -6,-0.1 2,-0.1 38,-0.0 -3,-0.1 -0.981 81.2-126.7-135.0 145.3 21.0 42.0 19.4 309 308 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -9,-0.0 -0.396 36.5 -88.1 -86.6 168.2 23.5 39.1 19.8 310 309 A T > - 0 0 67 1,-0.1 4,-1.6 -2,-0.1 3,-0.5 -0.368 34.9-115.5 -70.2 153.8 26.3 38.7 22.4 311 310 A R H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.852 116.4 55.3 -57.1 -39.1 29.7 40.2 21.7 312 311 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 104.2 54.4 -63.9 -34.9 31.3 36.7 21.7 313 312 A E H > S+ 0 0 17 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.894 108.0 48.2 -66.9 -43.4 28.8 35.6 19.0 314 313 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.936 111.4 51.5 -58.4 -49.6 29.8 38.4 16.7 315 314 A S H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.889 107.6 53.0 -52.7 -45.0 33.4 37.5 17.4 316 315 A D H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.899 109.5 48.2 -59.6 -44.3 32.7 33.9 16.5 317 316 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 -18,-0.3 3,-0.4 0.923 111.9 48.5 -64.6 -46.8 31.2 34.9 13.1 318 317 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 110.3 51.5 -59.4 -44.3 34.1 37.2 12.2 319 318 A N H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.713 101.7 61.7 -69.6 -21.1 36.6 34.5 13.1 320 319 A A H X>S+ 0 0 0 -4,-1.1 5,-1.9 -3,-0.4 4,-1.1 0.941 109.2 41.9 -62.2 -48.4 34.7 32.1 10.8 321 320 A V H ><5S+ 0 0 9 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.921 113.9 52.2 -63.0 -46.0 35.5 34.5 8.0 322 321 A F H 3<5S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 102.9 58.6 -59.8 -38.1 39.1 34.9 9.3 323 322 A N H 3<5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.853 126.3-102.3 -57.2 -37.1 39.5 31.1 9.4 324 323 A G T <<5 + 0 0 0 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.1 0.588 58.1 172.0 121.5 24.9 38.7 31.1 5.6 325 324 A A < - 0 0 4 -5,-1.9 -31,-0.1 1,-0.1 -1,-0.1 -0.336 29.1-157.0 -68.3 139.3 35.1 30.0 5.5 326 325 A D S S+ 0 0 11 -33,-1.6 -303,-2.1 1,-0.2 2,-0.3 0.880 79.6 20.9 -74.7 -43.1 33.2 30.1 2.2 327 326 A C E -ah 23 294A 0 -34,-2.2 -32,-2.8 -305,-0.2 2,-0.4 -0.923 58.0-153.3-132.7 153.2 29.8 30.2 4.0 328 327 A V E -ah 24 295A 0 -305,-2.3 -303,-2.4 -2,-0.3 2,-0.3 -0.980 26.5-144.9-120.8 136.2 28.3 31.1 7.4 329 328 A M E -a 25 0A 1 -34,-2.4 2,-0.4 -2,-0.4 -30,-0.2 -0.752 11.7-158.8-112.1 150.3 25.0 29.3 8.4 330 329 A L E +a 26 0A 0 -305,-2.8 -303,-1.1 -2,-0.3 -280,-0.2 -0.992 16.4 167.0-124.0 130.0 21.8 30.2 10.3 331 330 A S S >> S+ 0 0 29 -2,-0.4 4,-1.9 -305,-0.2 3,-1.1 0.657 74.1 4.8-103.2 -99.6 19.6 27.6 11.8 332 331 A G H 3>>S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-1.4 0.764 117.4 75.5 -60.5 -27.9 16.8 28.5 14.3 333 332 A E H 345S+ 0 0 6 1,-0.2 6,-0.4 3,-0.2 -1,-0.2 0.803 113.4 20.8 -57.8 -35.6 17.6 32.3 13.9 334 333 A T H <45S+ 0 0 0 -3,-1.1 -305,-0.6 2,-0.1 -1,-0.2 0.670 128.5 50.8-103.8 -26.4 15.8 32.3 10.5 335 334 A A H <5S+ 0 0 7 -4,-1.9 -304,-2.4 -307,-0.2 -303,-0.4 0.979 135.7 0.3 -74.1 -60.4 13.7 29.2 10.9 336 335 A K T <5S+ 0 0 113 -4,-1.8 -3,-0.2 -306,-0.2 -4,-0.1 0.327 104.9 122.7-113.9 3.9 12.0 29.8 14.3 337 336 A G < - 0 0 4 -5,-1.4 -32,-0.2 -6,-0.2 -33,-0.1 -0.134 61.0-138.0 -76.0 163.9 13.5 33.2 15.2 338 337 A K S S+ 0 0 142 -34,-2.7 -33,-0.1 -35,-0.2 -34,-0.1 0.607 99.6 45.8 -90.7 -16.4 11.9 36.6 16.0 339 338 A Y > + 0 0 46 -36,-0.4 4,-2.0 -6,-0.4 -1,-0.2 -0.615 62.0 154.0-129.7 72.7 14.3 38.6 13.9 340 339 A P H > S+ 0 0 24 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.933 80.0 36.4 -70.5 -48.5 14.8 36.9 10.5 341 340 A N H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.861 117.6 54.1 -68.1 -37.9 15.8 39.9 8.4 342 341 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 106.0 49.7 -67.6 -42.5 17.7 41.5 11.2 343 342 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.848 113.0 47.2 -67.3 -35.2 20.0 38.4 11.9 344 343 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 -2,-0.2 0.900 111.1 51.7 -72.1 -42.4 20.9 38.1 8.2 345 344 A Q H X S+ 0 0 91 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.900 113.0 44.2 -59.6 -44.4 21.6 41.8 7.9 346 345 A Y H X S+ 0 0 37 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.901 111.9 51.5 -71.9 -42.1 24.0 41.8 10.9 347 346 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.914 110.7 50.2 -58.1 -44.4 25.7 38.6 9.9 348 347 A A H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 111.3 48.9 -57.0 -44.7 26.3 40.2 6.5 349 348 A R H X S+ 0 0 127 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.864 111.6 48.8 -65.0 -38.7 27.6 43.3 8.2 350 349 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.895 111.2 49.5 -68.9 -41.4 30.0 41.2 10.4 351 350 A C H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.955 111.8 48.5 -61.1 -49.8 31.3 39.2 7.4 352 351 A L H X S+ 0 0 38 -4,-2.4 4,-1.6 1,-0.2 -335,-0.5 0.847 111.4 50.5 -58.0 -38.9 32.0 42.4 5.5 353 352 A E H X S+ 0 0 13 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.916 112.7 45.3 -67.0 -45.0 33.7 44.0 8.5 354 353 A A H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-1.2 0.914 110.8 54.4 -62.6 -45.4 36.0 40.9 8.9 355 354 A Q H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 101.3 59.0 -57.0 -37.5 36.6 40.8 5.2 356 355 A S H 3< S+ 0 0 38 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.721 113.4 38.4 -66.5 -21.3 37.8 44.4 5.3 357 356 A A H << S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.638 96.6 101.3 -98.9 -22.3 40.5 43.4 7.8 358 357 A L < - 0 0 7 -4,-1.7 2,-0.8 -5,-0.1 3,-0.1 -0.366 67.9-138.5 -67.6 141.2 41.3 40.0 6.1 359 358 A N >> - 0 0 21 1,-0.2 3,-1.6 -2,-0.1 4,-0.8 -0.827 16.4-173.7-105.4 94.6 44.5 39.8 4.0 360 359 A E H 3> S+ 0 0 30 -2,-0.8 4,-2.2 1,-0.3 3,-0.4 0.777 79.2 69.4 -57.6 -31.2 43.5 37.8 0.9 361 360 A Y H 3> S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.806 92.5 58.9 -60.4 -30.6 47.1 37.8 -0.3 362 361 A V H <> S+ 0 0 24 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.909 107.6 46.6 -61.5 -43.8 48.0 35.5 2.6 363 362 A F H X S+ 0 0 17 -4,-0.8 4,-2.2 -3,-0.4 5,-0.3 0.920 114.0 47.7 -62.3 -46.2 45.5 33.0 1.3 364 363 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 50,-0.3 -2,-0.2 0.933 115.0 44.5 -60.8 -48.8 46.8 33.3 -2.3 365 364 A N H X S+ 0 0 43 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.898 114.8 47.3 -66.4 -43.8 50.5 33.0 -1.3 366 365 A S H X S+ 0 0 4 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.937 114.7 44.6 -63.1 -51.4 49.9 30.0 1.1 367 366 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 3,-0.2 0.879 114.7 49.4 -63.8 -40.7 47.8 28.0 -1.3 368 367 A K H >< S+ 0 0 93 -4,-2.1 3,-0.7 -5,-0.3 -1,-0.2 0.873 106.8 55.0 -66.7 -40.1 50.1 28.6 -4.3 369 368 A K H 3< S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.1 53.5 -64.3 -27.4 53.2 27.6 -2.3 370 369 A L H 3< S+ 0 0 76 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.673 82.9 111.2 -81.5 -18.5 51.6 24.3 -1.5 371 370 A Q S << S- 0 0 37 -3,-0.7 2,-0.2 -4,-0.7 4,-0.1 -0.372 72.3-118.5 -64.8 129.5 50.8 23.4 -5.1 372 371 A H - 0 0 143 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.439 35.9-103.3 -69.7 136.7 52.9 20.5 -6.5 373 372 A I S S+ 0 0 139 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.928 104.8 50.7-108.1 129.2 55.2 21.3 -9.5 374 373 A P S S- 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.298 86.7-158.8 -73.4 138.1 54.5 20.5 -12.4 375 374 A M - 0 0 61 -2,-0.1 2,-0.2 -4,-0.1 -2,-0.1 -0.510 19.4-112.3 -76.1 152.8 51.1 22.1 -12.1 376 375 A S > - 0 0 65 -2,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.540 34.0-104.3 -79.7 158.3 48.3 21.0 -14.5 377 376 A A H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 118.7 51.3 -51.8 -51.1 47.1 23.6 -17.0 378 377 A D H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.875 113.6 46.2 -57.1 -39.7 43.8 24.5 -15.3 379 378 A E H > S+ 0 0 28 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.929 113.6 48.8 -67.2 -47.1 45.7 25.0 -12.0 380 379 A A H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.894 111.6 48.6 -59.1 -46.0 48.4 27.1 -13.6 381 380 A V H X S+ 0 0 22 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.919 113.4 45.5 -64.5 -46.8 46.0 29.4 -15.5 382 381 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.897 114.8 45.6 -67.1 -44.2 43.7 30.2 -12.5 383 382 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.893 115.2 47.7 -67.5 -40.8 46.5 30.9 -10.1 384 383 A S H X S+ 0 0 62 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.865 108.7 56.0 -63.8 -39.3 48.4 33.0 -12.6 385 384 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.914 111.2 42.2 -59.2 -45.8 45.1 34.8 -13.3 386 385 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.847 111.9 55.7 -70.6 -35.1 44.7 35.7 -9.6 387 386 A N H X S+ 0 0 32 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.904 103.9 54.5 -59.8 -43.1 48.4 36.6 -9.5 388 387 A S H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 6,-0.3 0.825 101.5 59.0 -60.9 -35.6 47.8 39.0 -12.4 389 388 A V H X>S+ 0 0 0 -4,-1.2 5,-1.8 2,-0.2 4,-1.0 0.945 113.4 37.2 -56.4 -51.1 45.1 40.7 -10.3 390 389 A Y H <5S+ 0 0 37 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.875 115.9 55.1 -67.9 -38.7 47.7 41.5 -7.6 391 390 A E H <5S+ 0 0 133 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.846 122.9 25.0 -64.1 -37.3 50.4 42.2 -10.2 392 391 A T H <5S- 0 0 46 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.393 102.6-119.5-109.8 0.5 48.3 44.8 -12.0 393 392 A K T <5 - 0 0 169 -4,-1.0 83,-0.3 -5,-0.2 -3,-0.2 0.926 46.6-174.3 53.2 49.0 46.0 46.0 -9.2 394 393 A A < - 0 0 2 -5,-1.8 83,-0.2 -6,-0.3 -1,-0.1 -0.307 23.6-145.8 -70.0 157.9 43.0 44.9 -11.3 395 394 A K S S+ 0 0 110 81,-2.3 2,-0.3 1,-0.2 82,-0.2 0.489 70.7 11.3-111.8 -5.4 39.5 45.6 -10.0 396 395 A A E -r 477 0G 0 80,-0.6 82,-2.0 21,-0.2 2,-0.4 -0.976 58.6-138.7-162.1 158.4 37.5 42.6 -11.2 397 396 A M E -rs 478 419G 0 21,-2.1 23,-2.7 -2,-0.3 2,-0.5 -0.948 7.7-157.4-118.6 146.9 37.8 39.1 -12.7 398 397 A V E -rs 479 420G 0 80,-2.2 82,-3.1 -2,-0.4 2,-0.5 -0.975 12.8-175.9-122.3 116.0 35.6 37.5 -15.4 399 398 A V E -rs 480 421G 0 21,-3.0 23,-2.4 -2,-0.5 2,-0.8 -0.953 15.5-152.1-113.9 121.4 35.5 33.7 -15.5 400 399 A L E + s 0 422G 10 80,-2.1 2,-0.4 -2,-0.5 23,-0.2 -0.839 33.6 156.0 -90.8 111.0 33.7 31.8 -18.2 401 400 A S - 0 0 7 21,-1.5 23,-0.1 -2,-0.8 -2,-0.1 -0.989 31.2-170.3-141.7 128.7 32.7 28.5 -16.7 402 401 A N S S+ 0 0 72 -2,-0.4 26,-0.2 21,-0.2 23,-0.2 0.931 93.8 24.8 -81.0 -50.0 29.8 26.2 -17.6 403 402 A T S S- 0 0 78 25,-0.1 -1,-0.1 21,-0.1 20,-0.1 0.784 107.9-112.0 -86.9 -31.6 29.9 23.7 -14.7 404 403 A G S > S+ 0 0 0 27,-0.0 4,-2.7 28,-0.0 5,-0.2 0.197 81.9 120.7 117.5 -11.2 31.5 26.1 -12.1 405 404 A R H > S+ 0 0 172 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.915 79.4 37.9 -49.6 -59.3 34.8 24.2 -11.9 406 405 A S H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.771 113.1 58.5 -70.8 -25.0 37.1 27.0 -13.0 407 406 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 111.9 40.7 -65.0 -45.9 35.0 29.6 -11.1 408 407 A R H X S+ 0 0 49 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.922 113.5 54.1 -65.1 -45.3 35.7 27.6 -7.9 409 408 A L H X S+ 0 0 22 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.846 111.5 45.0 -59.5 -38.2 39.3 27.0 -8.9 410 409 A V H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.940 110.1 54.3 -68.6 -47.6 39.8 30.8 -9.4 411 410 A A H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.807 97.3 68.2 -56.3 -33.3 38.0 31.6 -6.1 412 411 A K H 3< S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.872 94.5 54.4 -51.9 -44.4 40.4 29.2 -4.3 413 412 A Y T << S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.474 104.9-134.2 -79.5 -1.9 43.4 31.6 -4.8 414 413 A R < - 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0 0 0 -22,-0.5 -20,-2.4 -6,-0.2 -1,-0.4 -0.894 64.2-104.8 154.8 175.4 51.8 47.7 27.6 667 258 B I E -ab 646 701H 0 33,-2.2 35,-2.7 -22,-0.3 2,-0.5 -0.977 9.0-152.7-137.8 140.2 48.2 47.8 26.6 668 259 B M E -ab 647 702H 1 -22,-3.8 -20,-2.6 -2,-0.3 2,-1.0 -0.968 13.4-148.5-111.2 128.1 44.8 46.4 27.8 669 260 B V E -ab 648 703H 0 33,-3.4 35,-2.0 -2,-0.5 2,-1.3 -0.806 12.2-169.0 -96.9 97.1 42.1 45.8 25.2 670 261 B A E > - b 0 704H 0 -22,-1.0 4,-2.1 -2,-1.0 5,-0.2 -0.668 5.3-178.0 -89.4 85.5 38.8 46.4 27.1 671 262 B R H > S+ 0 0 0 33,-1.6 4,-2.4 -2,-1.3 -1,-0.2 0.891 77.1 50.8 -50.5 -52.9 36.3 45.0 24.5 672 263 B G H > S+ 0 0 21 32,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.889 110.9 47.6 -55.4 -47.1 33.1 45.9 26.6 673 264 B D H >4 S+ 0 0 63 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.861 113.7 48.4 -64.2 -38.3 34.1 49.5 27.2 674 265 B L H >X S+ 0 0 1 -4,-2.1 4,-2.0 -26,-0.2 3,-0.8 0.844 103.1 64.7 -66.5 -35.3 35.0 49.9 23.5 675 266 B G H 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.658 85.4 72.7 -63.6 -19.7 31.6 48.3 22.6 676 267 B V T << S+ 0 0 94 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.888 119.7 10.7 -65.3 -40.4 29.6 51.2 24.1 677 268 B E T <4 S+ 0 0 31 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.544 124.7 63.0-115.7 -15.9 30.5 53.6 21.3 678 269 B I S < S- 0 0 12 -4,-2.0 -1,-0.1 -5,-0.1 5,-0.1 -0.962 91.7-105.2-117.9 129.4 32.1 51.4 18.7 679 270 B P >> - 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0 0 20 0, 0.0 2,-0.2 0, 0.0 -9,-0.1 -0.313 37.6 -89.8 -84.4 173.6 30.6 28.8 29.4 718 309 B T >> - 0 0 63 1,-0.1 4,-1.6 -2,-0.1 3,-0.5 -0.505 36.2-115.0 -77.1 155.0 28.9 29.2 26.0 719 310 B R H 3> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.867 116.8 56.2 -58.5 -39.6 30.6 27.7 23.0 720 311 B A H 3> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 103.7 54.1 -62.5 -34.4 31.1 31.2 21.5 721 312 B E H <> S+ 0 0 21 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.886 105.8 52.8 -66.9 -40.7 32.8 32.4 24.7 722 313 B V H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 3,-0.5 0.956 109.3 48.5 -56.3 -52.9 35.3 29.5 24.4 723 314 B S H X S+ 0 0 2 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.852 106.0 58.7 -57.9 -38.9 36.2 30.5 20.8 724 315 B D H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.883 108.5 44.8 -57.4 -43.5 36.6 34.1 21.9 725 316 B V H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.5 -2,-0.2 0.932 114.6 47.9 -66.0 -49.2 39.3 33.1 24.4 726 317 B A H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 112.4 48.9 -58.4 -46.2 41.1 30.8 21.9 727 318 B N H X S+ 0 0 10 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.752 104.9 59.4 -68.9 -24.9 41.0 33.5 19.2 728 319 B A H X>S+ 0 0 0 -4,-1.2 5,-1.9 -5,-0.2 4,-1.0 0.913 108.9 44.6 -63.5 -44.6 42.4 36.0 21.7 729 320 B V H ><5S+ 0 0 6 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.925 113.1 50.7 -62.1 -46.8 45.4 33.6 22.0 730 321 B F H 3<5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.812 102.7 60.3 -62.6 -34.7 45.5 33.2 18.1 731 322 B N H 3<5S- 0 0 15 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.835 126.8 -99.4 -59.9 -35.3 45.4 37.0 17.7 732 323 B G T <<5 + 0 0 0 -4,-1.0 -3,-0.2 -3,-0.6 2,-0.2 0.603 59.7 169.9 120.8 26.1 48.7 37.1 19.7 733 324 B A < - 0 0 2 -5,-1.9 -1,-0.2 1,-0.2 -31,-0.1 -0.454 27.1-159.6 -67.9 132.8 47.6 38.1 23.2 734 325 B D S S+ 0 0 10 -33,-1.4 -216,-2.5 -2,-0.2 2,-0.3 0.906 78.4 20.3 -68.2 -46.7 50.2 37.8 26.0 735 326 B C E -vc 518 702H 0 -34,-2.1 -32,-2.3 -218,-0.2 2,-0.4 -0.845 59.3-152.4-129.2 157.7 47.4 37.7 28.7 736 327 B V E -vc 519 703H 1 -218,-2.4 -216,-2.8 -2,-0.3 2,-0.4 -0.988 23.7-144.0-128.1 139.6 43.7 36.9 29.1 737 328 B M E -v 520 0H 3 -34,-2.1 2,-0.5 -2,-0.4 -30,-0.2 -0.835 11.4-160.1-114.8 142.4 41.7 38.5 31.9 738 329 B L E +v 521 0H 0 -218,-2.6 -216,-1.7 -2,-0.4 -34,-0.0 -0.981 17.9 167.4-115.3 125.6 38.9 37.4 34.2 739 330 B S S >> S+ 0 0 34 -2,-0.5 4,-1.6 -218,-0.1 3,-0.9 0.767 73.2 5.6 -97.5 -93.1 36.8 40.1 35.9 740 331 B G H 3>>S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 5,-0.8 0.663 116.7 75.1 -70.6 -18.1 33.6 39.2 37.6 741 332 B E H 345S+ 0 0 5 1,-0.2 6,-0.3 3,-0.2 -1,-0.2 0.761 113.4 21.3 -68.3 -27.8 34.1 35.4 37.1 742 333 B T H <45S+ 0 0 0 -3,-0.9 -218,-0.4 2,-0.1 -2,-0.2 0.667 125.6 52.1-109.5 -28.8 36.7 35.3 39.9 743 334 B A H <5S+ 0 0 8 -4,-1.6 -217,-1.7 -220,-0.2 -216,-0.4 0.945 136.7 0.4 -75.7 -50.6 35.9 38.4 41.9 744 335 B K T <5S+ 0 0 117 -4,-1.5 -3,-0.2 -219,-0.2 -4,-0.1 0.343 105.9 124.5-119.3 0.8 32.1 37.8 42.5 745 336 B G < - 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