==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-10 3LOO . COMPND 2 MOLECULE: ANOPHELES GAMBIAE ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR M.-C.HO,M.B.CASSERA,S.C.ALMO,V.L.SCHRAMM . 997 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 765 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 7.7 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 . 6 0.6 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 . 1 0.1 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 . 65 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 3 2 2 6 3 1 1 8 1 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 7 6 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 PARALLEL BRIDGES PER LADDER . 1 0 3 0 6 0 3 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 3 0 0 0 2 1 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 4 A L 0 0 100 0, 0.0 2,-0.3 0, 0.0 303,-0.0 0.000 360.0 360.0 360.0 137.3 22.8 22.1 7.8 2 5 A R > - 0 0 99 77,-0.1 3,-0.8 74,-0.1 74,-0.0 -0.921 360.0 -66.9-145.6 174.3 23.2 22.4 4.0 3 6 A D T 3 S+ 0 0 60 -2,-0.3 76,-0.3 1,-0.2 75,-0.1 -0.240 109.2 15.0 -64.0 145.5 22.2 20.3 0.9 4 7 A G T 3 S+ 0 0 6 74,-3.2 -1,-0.2 2,-0.1 75,-0.2 0.783 70.3 139.2 68.6 31.2 23.8 16.9 0.3 5 8 A M S < S+ 0 0 5 74,-1.0 153,-2.9 -3,-0.8 154,-1.9 0.839 70.3 43.2 -69.8 -31.1 25.3 16.2 3.7 6 9 A L E -ab 80 159A 0 73,-1.7 75,-2.7 151,-0.2 2,-0.4 -0.953 65.8-167.7-120.3 126.7 24.3 12.5 3.6 7 10 A V E -ab 81 160A 0 152,-2.6 154,-2.2 -2,-0.4 2,-0.4 -0.988 6.5-169.8-113.7 134.6 24.5 10.2 0.7 8 11 A G E -ab 82 161A 0 73,-2.5 75,-2.8 -2,-0.4 2,-0.4 -0.948 5.6-163.1-116.5 138.6 22.7 6.8 0.7 9 12 A L E +ab 83 162A 0 152,-2.0 154,-1.0 -2,-0.4 2,-0.3 -0.991 36.3 111.0-120.4 130.4 23.2 4.0 -1.8 10 13 A G - 0 0 1 73,-2.2 75,-0.3 -2,-0.4 -2,-0.0 -0.912 65.1 -63.5-168.9-161.2 20.6 1.2 -2.0 11 14 A N - 0 0 8 -2,-0.3 2,-0.6 73,-0.2 53,-0.2 -0.916 37.7-147.3-112.0 111.1 17.8 -0.5 -3.8 12 15 A P + 0 0 0 0, 0.0 105,-0.6 0, 0.0 2,-0.3 -0.711 31.1 170.2 -83.6 124.0 14.7 1.5 -4.4 13 16 A L E -Ij 60 117B 12 -2,-0.6 47,-2.4 47,-0.6 2,-0.6 -0.944 35.8-129.9-135.2 145.3 11.8 -0.9 -4.3 14 17 A L E -Ij 59 118B 0 103,-2.1 105,-1.9 -2,-0.3 2,-0.3 -0.877 30.8-135.2 -93.6 123.8 8.0 -0.6 -4.3 15 18 A D E -Ij 58 119B 8 43,-3.6 43,-2.7 -2,-0.6 2,-0.6 -0.621 11.5-159.3 -80.0 137.7 6.6 -2.7 -1.5 16 19 A I E -Ij 57 120B 0 103,-2.6 105,-2.5 -2,-0.3 2,-0.4 -0.948 22.0-170.9-117.0 106.7 3.6 -4.9 -2.3 17 20 A S E +Ij 56 121B 18 39,-2.4 39,-2.7 -2,-0.6 2,-0.3 -0.838 13.4 151.8-114.2 131.7 2.0 -5.6 1.1 18 21 A A E - j 0 122B 8 103,-2.2 105,-3.1 -2,-0.4 2,-0.5 -0.996 43.9-112.7-153.6 156.8 -0.8 -8.0 2.0 19 22 A V E + j 0 123B 114 34,-0.4 2,-0.3 -2,-0.3 105,-0.2 -0.778 49.9 160.7 -83.6 128.3 -2.3 -10.1 4.7 20 23 A V - 0 0 7 103,-3.0 105,-0.2 -2,-0.5 2,-0.2 -0.911 32.2-120.1-140.8 172.2 -2.1 -13.8 3.7 21 24 A E >> - 0 0 147 -2,-0.3 3,-1.9 103,-0.1 4,-1.0 -0.699 39.5 -92.2-113.2 170.4 -2.2 -17.3 5.2 22 25 A K H 3> S+ 0 0 104 1,-0.3 4,-3.0 -2,-0.2 5,-0.2 0.718 117.1 67.1 -54.5 -31.7 0.4 -20.1 5.3 23 26 A D H 3> S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.845 99.7 52.1 -61.7 -33.1 -0.8 -21.8 2.1 24 27 A L H <> S+ 0 0 2 -3,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.960 111.2 46.4 -65.3 -47.8 0.4 -18.8 0.2 25 28 A L H ><>S+ 0 0 2 -4,-1.0 5,-2.7 2,-0.2 3,-0.5 0.914 113.1 49.6 -55.8 -46.8 3.8 -19.1 1.8 26 29 A N H ><5S+ 0 0 115 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.921 104.0 59.5 -61.0 -43.0 3.9 -22.8 1.1 27 30 A K H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 114.6 36.1 -53.0 -33.1 3.0 -22.2 -2.5 28 31 A Y T <<5S- 0 0 13 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.239 111.2-114.3-110.9 16.1 6.1 -20.1 -2.9 29 32 A D T < 5 + 0 0 98 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.893 65.8 150.3 54.8 45.0 8.5 -22.1 -0.6 30 33 A M < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.842 40.4-138.6-108.8 147.7 8.7 -19.2 1.8 31 34 A Q - 0 0 117 -2,-0.3 3,-0.4 1,-0.1 -5,-0.0 -0.732 25.2-111.4 -95.5 149.2 9.3 -19.4 5.5 32 35 A P S S+ 0 0 43 0, 0.0 97,-0.2 0, 0.0 3,-0.1 -0.358 101.4 25.9 -66.1 162.1 7.5 -17.2 7.9 33 36 A N S S+ 0 0 116 1,-0.2 2,-0.3 95,-0.1 96,-0.2 0.886 103.2 109.4 58.2 48.1 9.7 -14.6 9.6 34 37 A N E -k 129 0B 60 94,-0.8 96,-2.7 -3,-0.4 2,-0.4 -0.958 55.9-141.7-151.0 162.4 12.3 -14.4 6.8 35 38 A A E +k 130 0B 18 -2,-0.3 161,-0.3 94,-0.2 2,-0.3 -0.997 28.5 165.5-134.3 131.2 13.7 -12.2 4.0 36 39 A I E -k 131 0B 40 94,-1.8 96,-2.6 -2,-0.4 2,-0.4 -0.867 37.6-108.7-137.6 164.8 14.8 -13.6 0.6 37 40 A L E -k 132 0B 40 -2,-0.3 96,-0.2 94,-0.2 2,-0.1 -0.799 47.5-104.8 -88.6 139.0 15.7 -12.6 -2.9 38 41 A A - 0 0 23 94,-3.2 2,-0.2 -2,-0.4 96,-0.2 -0.408 34.6-167.1 -65.3 138.2 13.1 -13.5 -5.6 39 42 A E >> - 0 0 119 -2,-0.1 3,-2.3 94,-0.1 4,-0.9 -0.674 44.0 -86.3-111.3 179.4 13.8 -16.4 -8.0 40 43 A E G >4 S+ 0 0 177 1,-0.3 3,-1.1 -2,-0.2 -2,-0.0 0.870 127.7 55.5 -51.7 -43.1 12.0 -17.4 -11.1 41 44 A K G 34 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.621 103.1 56.5 -67.6 -16.9 9.4 -19.4 -9.2 42 45 A H G X4 S+ 0 0 2 -3,-2.3 3,-2.2 1,-0.2 4,-0.4 0.719 83.2 87.4 -86.4 -20.6 8.6 -16.3 -7.0 43 46 A M T XX S+ 0 0 82 -3,-1.1 3,-1.0 -4,-0.9 4,-0.6 0.781 80.7 56.0 -55.3 -40.5 7.6 -14.1 -9.9 44 47 A P H 3> S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.634 92.5 76.4 -66.9 -12.2 3.9 -15.1 -10.2 45 48 A M H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.845 85.0 60.1 -66.8 -34.8 3.5 -14.1 -6.6 46 49 A Y H <> S+ 0 0 17 -3,-1.0 4,-2.3 -4,-0.4 -1,-0.2 0.967 108.7 41.0 -61.0 -53.2 3.5 -10.3 -7.3 47 50 A Q H X S+ 0 0 65 -4,-0.6 4,-3.6 1,-0.2 5,-0.3 0.879 114.0 55.0 -62.0 -37.8 0.4 -10.3 -9.6 48 51 A E H X>S+ 0 0 27 -4,-1.4 4,-2.5 2,-0.2 5,-0.8 0.894 107.9 48.6 -62.8 -41.5 -1.3 -12.8 -7.3 49 52 A L H X5S+ 0 0 0 -4,-2.5 6,-1.5 3,-0.2 4,-0.9 0.918 116.8 42.9 -61.1 -45.1 -0.8 -10.4 -4.4 50 53 A I H X5S+ 0 0 37 -4,-2.3 4,-0.6 4,-0.2 5,-0.3 0.984 123.6 34.7 -65.8 -54.3 -2.2 -7.5 -6.4 51 54 A E H <5S+ 0 0 121 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.809 132.5 21.2 -74.3 -36.6 -5.1 -9.4 -8.0 52 55 A K H <5S+ 0 0 129 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.601 125.7 43.2-116.2 -16.3 -6.3 -11.8 -5.3 53 56 A Y H < - 0 0 6 -49,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.339 61.4-107.7 83.6 126.7 13.7 -0.2 -0.1 62 65 A S H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 114.5 37.8 -53.7 -59.7 15.7 -0.1 3.2 63 66 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 116.3 54.1 -66.7 -41.6 18.1 2.9 2.6 64 67 A Q H > S+ 0 0 1 -53,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 48.8 -53.5 -48.7 15.3 4.8 0.8 65 68 A N H X S+ 0 0 22 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.897 111.4 50.0 -55.7 -48.0 13.0 4.4 3.8 66 69 A S H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.913 111.0 47.8 -61.9 -45.5 15.7 5.5 6.2 67 70 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.873 110.7 52.5 -65.0 -33.8 16.5 8.7 4.2 68 71 A R H X S+ 0 0 21 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.7 45.8 -67.0 -44.7 12.8 9.5 3.9 69 72 A V H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 112.9 50.4 -61.3 -48.9 12.4 9.2 7.7 70 73 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.880 112.4 46.9 -54.4 -44.4 15.6 11.3 8.2 71 74 A Q H X>S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.6 0.884 108.4 55.1 -64.4 -38.8 14.2 14.0 5.9 72 75 A W H <5S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.948 113.2 42.3 -62.0 -45.9 10.8 14.0 7.5 73 76 A I H <5S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 114.8 50.5 -64.7 -45.0 12.5 14.7 10.9 74 77 A L H <5S- 0 0 18 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.873 83.8-157.9 -63.0 -38.0 15.0 17.3 9.4 75 78 A Q T <5 + 0 0 107 -4,-2.8 -3,-0.1 27,-0.2 -4,-0.1 0.916 59.9 108.2 54.8 40.9 12.3 19.3 7.6 76 79 A R > < - 0 0 71 -5,-0.6 3,-1.2 -74,-0.0 -1,-0.1 -0.748 67.9-135.4-147.8 99.5 15.0 20.6 5.3 77 80 A P T 3 S+ 0 0 83 0, 0.0 27,-0.2 0, 0.0 26,-0.1 -0.109 81.6 22.7 -57.3 148.7 14.7 19.2 1.8 78 81 A R T 3 S+ 0 0 107 25,-3.6 -74,-3.2 2,-0.2 26,-0.1 0.434 79.7 119.0 77.0 3.3 17.8 18.0 -0.1 79 82 A T S < S+ 0 0 0 -3,-1.2 -73,-1.7 -76,-0.3 -74,-1.0 0.841 77.2 45.8 -65.0 -33.8 19.8 17.4 3.0 80 83 A A E S-a 6 0A 1 23,-0.4 25,-2.7 -75,-0.2 2,-0.4 -0.917 72.2-157.2-114.0 138.6 20.0 13.7 2.0 81 84 A I E -ac 7 105A 1 -75,-2.7 -73,-2.5 -2,-0.4 2,-0.5 -0.946 8.0-154.7-110.9 132.4 20.8 12.4 -1.5 82 85 A F E -ac 8 106A 0 23,-2.3 25,-3.1 -2,-0.4 2,-0.5 -0.941 7.2-169.9-110.1 128.4 19.7 8.8 -2.6 83 86 A F E +ac 9 107A 0 -75,-2.8 -73,-2.2 -2,-0.5 2,-0.3 -0.970 32.3 110.7-113.1 130.4 21.4 6.8 -5.3 84 87 A G E - c 0 108A 0 23,-0.5 25,-2.3 -2,-0.5 2,-0.4 -0.929 59.2 -91.6-176.6 176.4 19.9 3.6 -6.8 85 88 A C E + c 0 109A 1 -75,-0.3 32,-0.3 52,-0.3 2,-0.2 -0.894 36.5 171.3-114.1 132.6 18.4 2.2 -10.0 86 89 A V E - c 0 110A 0 23,-2.4 25,-2.6 -2,-0.4 28,-0.1 -0.720 30.7-108.5-124.4 173.2 14.7 2.2 -11.0 87 90 A G E - c 0 111A 0 -2,-0.2 2,-0.7 23,-0.2 25,-0.2 -0.255 33.8-105.1 -89.5-175.6 12.9 1.4 -14.2 88 91 A Q S S+ 0 0 47 23,-0.6 527,-3.2 26,-0.4 2,-0.2 -0.722 84.4 95.5-109.4 79.8 11.1 3.8 -16.5 89 92 A D B > S-M 614 0C 1 -2,-0.7 4,-1.1 525,-0.3 525,-0.2 -0.798 92.1 -78.5-155.9-180.0 7.7 2.9 -15.5 90 93 A E H > S+ 0 0 37 523,-1.5 4,-1.6 -2,-0.2 5,-0.1 0.824 122.1 58.0 -64.5 -36.1 4.7 3.8 -13.2 91 94 A Y H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 102.5 54.0 -63.9 -41.0 6.4 2.1 -10.2 92 95 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.856 106.5 52.2 -61.4 -35.9 9.4 4.4 -10.5 93 96 A R H X S+ 0 0 110 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.847 105.9 53.6 -71.2 -35.1 7.1 7.5 -10.4 94 97 A I H X S+ 0 0 38 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.936 114.5 42.3 -58.0 -45.8 5.4 6.3 -7.2 95 98 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.951 115.9 48.7 -65.7 -52.1 8.9 6.0 -5.6 96 99 A E H X S+ 0 0 55 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.928 113.3 46.0 -50.1 -53.5 10.2 9.3 -7.0 97 100 A E H X S+ 0 0 126 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.930 114.9 45.7 -63.9 -47.7 7.2 11.3 -6.0 98 101 A R H X S+ 0 0 115 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.923 116.7 43.7 -61.2 -47.4 7.0 9.9 -2.4 99 102 A A H X>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.2 4,-0.7 0.949 115.7 48.0 -68.4 -42.7 10.7 10.2 -1.7 100 103 A T H ><5S+ 0 0 73 -4,-2.8 3,-1.1 -5,-0.3 -2,-0.2 0.910 109.0 54.9 -61.4 -41.7 10.9 13.8 -3.3 101 104 A S H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.860 105.3 52.9 -57.5 -37.7 7.8 14.8 -1.3 102 105 A N H 3<5S- 0 0 28 -4,-1.7 -1,-0.3 -3,-0.2 -27,-0.2 0.620 128.3 -98.8 -72.6 -15.6 9.6 13.8 1.9 103 106 A G T <<5S+ 0 0 6 -3,-1.1 -25,-3.6 -4,-0.7 -23,-0.4 0.341 73.4 142.5 114.0 -2.0 12.6 15.9 1.0 104 107 A V < - 0 0 4 -5,-2.0 2,-1.1 -6,-0.2 -1,-0.3 -0.492 50.4-135.7 -68.5 137.3 15.0 13.4 -0.5 105 108 A N E -c 81 0A 16 -25,-2.7 -23,-2.3 -2,-0.2 2,-0.5 -0.822 30.0-157.2 -84.4 99.4 17.1 14.5 -3.4 106 109 A V E -c 82 0A 14 -2,-1.1 2,-0.3 -25,-0.2 -23,-0.2 -0.696 18.6-177.2 -87.2 128.4 16.6 11.3 -5.5 107 110 A Q E -c 83 0A 52 -25,-3.1 -23,-0.5 -2,-0.5 2,-0.3 -0.631 18.0-178.9-122.6 66.1 19.3 10.7 -8.0 108 111 A Y E -c 84 0A 21 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.2 -0.517 24.5-139.0 -71.2 131.9 18.0 7.5 -9.7 109 112 A Q E -c 85 0A 33 -25,-2.3 -23,-2.4 -2,-0.3 2,-0.5 -0.589 28.6-132.4 -72.5 151.5 19.8 5.7 -12.4 110 113 A R E -c 86 0A 96 -2,-0.2 2,-0.5 -25,-0.2 -23,-0.2 -0.950 15.1-160.3-118.2 127.7 17.3 4.6 -15.1 111 114 A S E -c 87 0A 10 -25,-2.6 -23,-0.6 -2,-0.5 25,-0.1 -0.925 7.0-173.0-100.4 125.3 17.1 1.2 -16.6 112 115 A A S S+ 0 0 25 -2,-0.5 -1,-0.1 -25,-0.2 -25,-0.1 0.692 86.5 52.2 -85.9 -14.1 15.1 1.0 -19.9 113 116 A T S S+ 0 0 81 23,-0.1 -1,-0.1 1,-0.1 538,-0.1 0.751 106.6 48.3 -92.6 -29.3 15.4 -2.8 -19.9 114 117 A S S S- 0 0 26 -28,-0.1 -26,-0.4 22,-0.1 -3,-0.2 -0.881 76.8-123.6-114.4 149.8 14.1 -3.7 -16.4 115 118 A P - 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L 0 124B 70 -3,-2.3 -3,-2.2 2,-0.0 2,-0.4 -0.644 58.8-153.6 -96.6 155.8 5.0 -12.7 11.5 128 131 A R E - L 0 123B 60 -2,-0.2 -94,-0.8 -5,-0.2 2,-0.4 -0.985 5.9-167.7-130.1 140.8 6.3 -11.1 8.3 129 132 A S E -kL 34 122B 4 -7,-2.2 -7,-3.3 -2,-0.4 2,-0.4 -0.998 10.1-162.3-131.0 131.8 7.9 -12.7 5.2 130 133 A L E -kL 35 121B 46 -96,-2.7 -94,-1.8 -2,-0.4 2,-0.4 -0.865 12.1-176.1-120.4 139.7 9.7 -10.6 2.6 131 134 A C E -kL 36 120B 0 -11,-2.1 -11,-3.2 -2,-0.4 2,-0.5 -0.912 15.2-154.8-140.7 111.6 10.6 -11.5 -1.0 132 135 A A E -kL 37 119B 14 -96,-2.6 -94,-3.2 -2,-0.4 2,-0.9 -0.779 10.2-167.8 -98.1 118.5 12.6 -8.9 -2.9 133 136 A N E - L 0 118B 31 -15,-2.9 -15,-2.5 -2,-0.5 4,-0.2 -0.905 10.8-174.9-102.2 94.7 12.4 -8.8 -6.7 134 137 A L > + 0 0 13 -2,-0.9 3,-2.4 -17,-0.2 -17,-0.4 0.872 24.2 147.7 -67.8 -43.7 15.3 -6.4 -7.3 135 138 A A G > S+ 0 0 25 1,-0.3 3,-1.8 2,-0.2 4,-0.3 -0.161 76.3 15.2 48.9-114.6 14.9 -6.2 -11.1 136 139 A A G > S+ 0 0 0 -21,-2.3 3,-2.1 1,-0.3 -1,-0.3 0.809 119.5 67.8 -62.5 -28.3 16.0 -2.6 -12.2 137 140 A A G X S+ 0 0 1 -3,-2.4 3,-0.9 1,-0.3 -1,-0.3 0.806 95.6 58.4 -58.7 -28.1 17.7 -2.0 -8.8 138 141 A N G < S+ 0 0 73 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.580 90.3 71.9 -74.9 -11.5 20.1 -4.7 -10.0 139 142 A D G < + 0 0 51 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.298 68.0 128.5 -85.8 10.9 21.0 -2.5 -13.1 140 143 A F < - 0 0 8 -3,-0.9 -55,-0.0 -55,-0.2 -3,-0.0 -0.459 40.3-166.4 -66.7 137.9 22.9 -0.1 -11.0 141 144 A T >> - 0 0 47 -2,-0.1 3,-2.1 1,-0.1 4,-0.5 -0.970 33.0-124.5-128.7 145.1 26.4 0.6 -12.3 142 145 A P G >4 S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.768 108.7 71.2 -50.6 -27.0 29.5 2.3 -10.8 143 146 A E G >4 S+ 0 0 105 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.830 83.1 67.9 -63.5 -32.5 29.4 4.6 -13.8 144 147 A H G X4 S+ 0 0 33 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.853 100.9 49.6 -54.7 -35.0 26.2 6.3 -12.5 145 148 A L G << S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.598 100.5 67.6 -79.4 -10.7 28.4 7.7 -9.7 146 149 A R G < + 0 0 141 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.403 68.7 109.9 -96.2 -0.1 31.0 9.0 -12.2 147 150 A S S <> S- 0 0 57 -3,-0.7 4,-2.8 -4,-0.4 5,-0.2 -0.385 82.9-111.0 -63.8 156.0 29.0 11.7 -13.9 148 151 A D H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 117.5 47.0 -56.3 -44.7 30.3 15.3 -13.1 149 152 A G H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 113.4 47.6 -65.7 -45.7 27.2 16.1 -11.1 150 153 A N H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.864 109.7 52.1 -69.0 -35.5 27.2 12.8 -9.2 151 154 A R H X S+ 0 0 117 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.866 106.6 54.1 -66.8 -32.0 30.9 13.1 -8.3 152 155 A A H X S+ 0 0 58 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.900 107.5 52.2 -63.9 -38.3 30.3 16.6 -6.9 153 156 A Y H X S+ 0 0 59 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.926 111.5 45.2 -63.0 -41.9 27.6 15.0 -4.7 154 157 A L H >< S+ 0 0 35 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.933 113.4 50.7 -65.8 -44.2 30.1 12.3 -3.4 155 158 A Q H 3< S+ 0 0 130 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 113.4 45.5 -62.9 -35.7 32.8 15.0 -2.9 156 159 A G H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.537 89.1 103.1 -86.3 -8.7 30.4 17.2 -0.9 157 160 A A << - 0 0 2 -3,-0.8 -152,-0.2 -4,-0.8 -151,-0.2 -0.440 46.9-169.5 -77.7 152.6 28.8 14.6 1.3 158 161 A Q S S+ 0 0 94 -153,-2.9 29,-1.2 1,-0.2 2,-0.3 0.537 73.9 37.4-107.5 -13.9 29.9 14.4 5.0 159 162 A F E -bd 6 187A 28 -154,-1.9 -152,-2.6 27,-0.2 2,-0.4 -0.991 63.5-161.2-144.3 142.7 28.2 11.0 5.8 160 163 A F E -bd 7 188A 4 27,-1.9 29,-1.9 -2,-0.3 2,-0.4 -0.981 5.3-174.5-133.1 137.8 27.6 7.8 3.8 161 164 A Y E +bd 8 189A 0 -154,-2.2 -152,-2.0 -2,-0.4 2,-0.3 -0.995 6.9 171.4-136.3 128.7 25.0 5.1 4.4 162 165 A V E -bd 9 190A 0 27,-2.1 29,-1.2 -2,-0.4 2,-0.2 -0.980 23.8-133.9-135.4 143.4 24.7 1.8 2.5 163 166 A S E > - d 0 191A 1 -154,-1.0 3,-0.9 -2,-0.3 4,-0.4 -0.672 21.7-124.5 -91.2 154.3 22.6 -1.3 3.2 164 167 A G G > S+ 0 0 0 27,-1.4 3,-1.7 -2,-0.2 4,-0.4 0.844 112.4 70.0 -59.0 -32.1 23.9 -4.9 3.1 165 168 A F G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.831 88.2 62.2 -47.3 -39.9 21.1 -5.3 0.6 166 169 A F G X> S+ 0 0 0 -3,-0.9 4,-3.0 1,-0.2 3,-0.7 0.692 85.1 75.7 -67.1 -19.4 23.0 -3.1 -1.9 167 170 A F H <> S+ 0 0 8 -3,-1.7 4,-0.8 -4,-0.4 -1,-0.2 0.822 87.2 61.5 -60.1 -30.5 25.9 -5.7 -1.9 168 171 A T H <4 S+ 0 0 32 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.873 116.4 31.7 -58.1 -35.7 23.6 -7.9 -4.2 169 172 A V H <4 S- 0 0 17 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.876 139.4 -7.3 -98.1 -44.9 23.7 -5.1 -6.7 170 173 A S H X + 0 0 9 -4,-3.0 4,-1.8 1,-0.1 3,-0.4 -0.399 52.9 161.5-159.4 74.1 27.1 -3.3 -6.5 171 174 A F H X S+ 0 0 24 -4,-0.8 4,-2.9 1,-0.2 5,-0.2 0.837 82.8 63.5 -57.3 -35.7 29.4 -4.2 -3.7 172 175 A E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 104.1 45.9 -60.9 -38.6 32.2 -2.6 -5.8 173 176 A S H > S+ 0 0 3 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.926 112.4 50.3 -68.9 -44.1 30.4 0.8 -5.5 174 177 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.909 114.3 44.5 -61.7 -45.5 29.8 0.4 -1.7 175 178 A L H X S+ 0 0 16 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.901 111.1 52.8 -65.9 -43.3 33.5 -0.5 -1.1 176 179 A S H X S+ 0 0 77 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.945 112.4 45.6 -59.0 -42.8 34.8 2.3 -3.4 177 180 A V H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 111.7 52.9 -69.0 -39.1 32.7 4.9 -1.4 178 181 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.883 108.9 48.5 -64.5 -40.7 33.8 3.4 1.9 179 182 A K H X S+ 0 0 90 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.897 112.0 48.6 -65.4 -42.0 37.5 3.7 1.1 180 183 A E H X S+ 0 0 103 -4,-1.9 4,-0.9 -5,-0.2 6,-0.3 0.898 111.7 51.6 -65.3 -38.8 37.1 7.3 -0.1 181 184 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.8 0.943 111.8 44.1 -60.9 -52.1 35.2 8.0 3.1 182 185 A A H ><5S+ 0 0 10 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.910 112.0 54.5 -58.7 -42.7 37.9 6.5 5.4 183 186 A A H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.632 115.4 38.7 -67.5 -19.6 40.7 8.2 3.4 184 187 A T T <<5S- 0 0 67 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.165 115.7-112.0-116.9 14.5 39.1 11.6 3.9 185 188 A G T < 5 + 0 0 32 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.631 69.0 141.4 63.9 18.6 38.0 11.0 7.5 186 189 A R < - 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0 0 24 -5,-2.6 2,-0.3 -6,-0.3 -1,-0.2 -0.616 56.4 -97.9 -93.8 150.9 1.4 -17.4 -34.2 524 190 B M E -q 496 0C 25 -29,-1.1 -27,-2.6 -2,-0.2 2,-0.5 -0.479 33.1-171.5 -71.8 122.6 1.5 -13.6 -33.5 525 191 B F E +q 497 0C 0 -2,-0.3 25,-3.1 23,-0.2 26,-1.3 -0.973 12.1 178.7-112.2 124.7 -1.5 -11.6 -34.7 526 192 B M E +qr 498 551C 0 -29,-2.8 -27,-2.3 -2,-0.5 2,-0.3 -0.924 4.0 178.0-129.3 148.6 -1.1 -7.8 -34.4 527 193 B M E -qr 499 552C 0 24,-2.4 26,-2.9 -2,-0.3 2,-0.4 -0.940 21.0-131.1-149.2 166.9 -3.3 -4.8 -35.2 528 194 B N E -qr 500 553C 12 -29,-1.2 -27,-1.6 -2,-0.3 26,-0.2 -0.936 16.3-139.1-121.4 139.2 -3.6 -1.1 -35.1 529 195 B L - 0 0 4 24,-2.5 2,-2.9 -2,-0.4 5,-0.3 0.758 37.3-174.8 -63.9 -29.5 -6.5 1.0 -33.8 530 196 B S + 0 0 11 23,-0.2 -1,-0.2 -29,-0.1 24,-0.1 -0.203 52.0 2.2 74.5 -52.8 -5.8 3.2 -36.9 531 197 B A S > S- 0 0 0 -2,-2.9 3,-2.0 -3,-0.1 -160,-0.0 -0.973 71.4-106.5-164.3 151.6 -8.3 6.0 -36.3 532 198 B P T 3> S+ 0 0 17 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.786 115.8 65.0 -56.1 -25.5 -10.9 7.2 -33.8 533 199 B F H 3> S+ 0 0 12 -161,-0.4 4,-3.3 1,-0.2 5,-0.4 0.758 88.6 70.7 -69.9 -21.0 -13.6 6.1 -36.2 534 200 B V H <> S+ 0 0 0 -3,-2.0 4,-2.2 -5,-0.3 8,-0.2 0.939 101.9 38.2 -64.6 -51.4 -12.6 2.5 -35.9 535 201 B P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.899 120.0 50.6 -64.5 -37.5 -13.8 1.9 -32.3 536 202 B Q H >< S+ 0 0 88 -4,-1.2 3,-0.6 2,-0.2 -2,-0.2 0.981 121.9 28.9 -58.3 -60.4 -16.9 4.1 -33.1 537 203 B F H 3< S+ 0 0 127 -4,-3.3 3,-0.2 1,-0.2 -3,-0.2 0.807 132.8 32.4 -73.8 -33.4 -18.0 2.3 -36.3 538 204 B Y H >X + 0 0 41 -4,-2.2 4,-2.5 -5,-0.4 3,-0.6 -0.000 67.4 135.4-121.2 32.5 -16.6 -1.2 -35.6 539 205 B K H S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.845 107.3 53.9 -70.8 -37.7 -18.3 -5.2 -32.4 541 207 B N H <> S+ 0 0 35 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.955 109.7 50.0 -54.9 -51.9 -15.6 -6.1 -34.8 542 208 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.948 110.5 48.2 -51.0 -55.0 -13.1 -5.0 -32.1 543 209 B E H < S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.4 47.3 -56.3 -39.6 -14.8 -7.1 -29.3 544 210 B E H < S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.8 39.0 -72.1 -39.7 -14.9 -10.1 -31.6 545 211 B I H >< S+ 0 0 0 -4,-2.4 3,-2.2 -3,-0.2 4,-0.3 0.749 93.6 84.5 -85.3 -24.7 -11.3 -10.0 -32.8 546 212 B F G >< S+ 0 0 3 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.809 79.0 64.1 -52.8 -39.4 -9.6 -9.0 -29.5 547 213 B P G 3 S+ 0 0 33 0, 0.0 39,-2.4 0, 0.0 40,-0.6 0.779 107.6 46.2 -54.2 -22.8 -9.3 -12.5 -28.0 548 214 B Y G < S+ 0 0 42 -3,-2.2 2,-0.6 37,-0.2 -23,-0.2 0.371 88.5 105.8-100.8 4.1 -6.9 -13.2 -31.0 549 215 B V < + 0 0 0 -3,-2.1 -23,-0.2 -4,-0.3 3,-0.2 -0.776 38.0 176.3 -94.5 118.7 -4.9 -10.0 -30.7 550 216 B D S S+ 0 0 4 -25,-3.1 43,-2.2 -2,-0.6 2,-0.4 0.734 76.2 20.6 -88.9 -32.4 -1.3 -10.5 -29.3 551 217 B V E -rs 526 593C 0 -26,-1.3 -24,-2.4 41,-0.2 2,-0.5 -0.965 63.8-166.0-144.3 135.7 -0.4 -6.9 -29.8 552 218 B L E -rs 527 594C 1 41,-2.0 43,-2.8 -2,-0.4 2,-0.3 -0.967 6.8-168.2-117.3 121.5 -2.4 -3.8 -30.2 553 219 B F E +rs 528 595C 4 -26,-2.9 -24,-2.5 -2,-0.5 2,-0.3 -0.788 21.9 139.3 -98.7 151.9 -0.9 -0.5 -31.4 554 220 B G E - 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