==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-11 2YK5 . COMPND 2 MOLECULE: CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA- . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR L.Y.C.LIN,B.RAKIC,C.P.C.CHIU,E.LAMEIGNERE,W.W.WAKARCHUK,S.G. . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 1 0 0 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 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 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 49 A P 0 0 141 0, 0.0 26,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 102.0 63.1 73.2 7.1 2 50 A V - 0 0 57 24,-0.1 2,-0.4 26,-0.0 26,-0.2 -0.647 360.0-131.4-113.6 164.0 59.7 74.0 5.6 3 51 A N E -a 28 0A 60 24,-2.6 26,-2.7 -2,-0.2 2,-0.4 -0.901 21.4-149.7-107.0 137.8 56.2 75.4 6.5 4 52 A L E -a 29 0A 103 -2,-0.4 2,-0.4 24,-0.2 26,-0.2 -0.880 9.5-169.9-107.6 144.8 53.0 73.6 5.6 5 53 A I E -a 30 0A 24 24,-1.8 26,-2.6 -2,-0.4 2,-0.5 -0.984 3.4-164.0-133.4 124.0 49.7 75.3 4.8 6 54 A F E +a 31 0A 122 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.942 14.6 174.5-109.6 127.1 46.4 73.3 4.5 7 55 A C E +a 32 0A 2 24,-2.5 26,-2.9 -2,-0.5 3,-0.1 -0.932 24.4 176.2-128.9 146.9 43.4 75.0 2.8 8 56 A Y + 0 0 93 -2,-0.3 2,-0.3 24,-0.2 27,-0.2 0.260 69.8 46.6-132.1 11.0 39.9 73.8 1.7 9 57 A T S > S- 0 0 19 1,-0.1 4,-1.9 25,-0.1 5,-0.1 -0.955 79.8-113.4-138.9 169.4 38.4 77.0 0.4 10 58 A I H > S+ 0 0 34 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.946 117.4 50.6 -64.6 -48.0 39.3 79.9 -1.9 11 59 A L H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 108.0 54.4 -59.8 -36.5 39.3 82.5 0.8 12 60 A Q H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 106.3 52.7 -61.7 -36.0 41.7 80.2 2.8 13 61 A X H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.905 107.4 51.6 -65.3 -37.1 44.0 80.1 -0.3 14 62 A K H X S+ 0 0 85 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.877 109.0 49.4 -67.7 -37.0 43.9 83.9 -0.2 15 63 A V H X S+ 0 0 85 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 108.4 54.8 -63.1 -41.8 44.9 83.8 3.5 16 64 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.905 107.2 50.2 -58.0 -42.9 47.8 81.4 2.5 17 65 A E H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.869 110.0 49.6 -58.8 -43.5 49.1 83.9 -0.1 18 66 A R H X S+ 0 0 171 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.907 111.9 48.4 -66.4 -39.9 49.1 86.7 2.5 19 67 A I H < S+ 0 0 68 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.925 114.2 46.6 -64.3 -46.2 51.0 84.5 5.0 20 68 A X H >< S+ 0 0 10 -4,-2.7 3,-1.4 1,-0.2 6,-0.2 0.925 109.1 53.3 -61.3 -46.0 53.5 83.5 2.3 21 69 A A H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.6 52.3 -62.5 -26.4 54.0 87.1 1.1 22 70 A Q T 3< S+ 0 0 131 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.590 112.7 47.0 -83.5 -9.3 54.8 88.2 4.7 23 71 A H X + 0 0 77 -3,-1.4 3,-2.1 -4,-0.5 -1,-0.2 -0.460 65.5 155.5-125.5 60.1 57.4 85.4 4.9 24 72 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.696 72.9 55.4 -67.7 -16.9 59.3 85.9 1.6 25 73 A G T 3 S+ 0 0 78 -3,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.427 95.3 85.6 -91.0 2.2 62.4 84.2 3.1 26 74 A E S < S- 0 0 96 -3,-2.1 2,-0.4 -6,-0.2 -24,-0.1 -0.701 75.7-117.1-105.6 155.7 60.6 80.9 4.1 27 75 A R - 0 0 93 -26,-0.5 -24,-2.6 -2,-0.3 2,-0.4 -0.764 31.0-166.1 -92.3 137.2 59.8 77.7 2.2 28 76 A F E -a 3 0A 12 -2,-0.4 26,-1.5 -26,-0.2 25,-1.1 -0.968 19.3-172.6-128.6 127.9 56.2 76.7 1.7 29 77 A Y E -ab 4 54A 71 -26,-2.7 -24,-1.8 -2,-0.4 2,-0.4 -0.990 21.3-165.6-111.1 126.9 54.4 73.5 0.7 30 78 A V E -ab 5 55A 1 24,-2.3 26,-1.9 -2,-0.5 2,-0.5 -0.949 8.9-167.5-121.0 130.0 50.7 74.2 0.2 31 79 A V E -ab 6 56A 15 -26,-2.6 -24,-2.5 -2,-0.4 2,-0.5 -0.973 3.4-163.1-117.0 123.4 48.0 71.6 -0.1 32 80 A L E -ab 7 57A 1 24,-2.9 26,-2.8 -2,-0.5 2,-0.5 -0.929 3.4-167.5-101.6 129.9 44.5 72.4 -1.2 33 81 A X E + b 0 58A 58 -26,-2.9 2,-0.3 -2,-0.5 26,-0.2 -0.973 22.5 156.0-115.5 118.2 41.8 69.9 -0.5 34 82 A S E - b 0 59A 6 24,-2.4 26,-1.3 -2,-0.5 -25,-0.1 -0.999 46.9-153.9-148.1 141.5 38.5 70.5 -2.3 35 83 A E S S+ 0 0 54 -2,-0.3 2,-0.4 -27,-0.2 27,-0.2 0.576 88.1 64.6 -82.1 -10.5 35.4 68.8 -3.6 36 84 A N + 0 0 85 25,-0.1 2,-0.4 2,-0.0 24,-0.1 -0.880 57.0 178.9-117.9 143.2 35.0 71.4 -6.3 37 85 A R + 0 0 115 -2,-0.4 2,-0.3 22,-0.1 22,-0.0 -0.985 23.9 120.2-140.5 135.9 37.2 72.4 -9.1 38 86 A N S > S- 0 0 72 -2,-0.4 4,-3.4 0, 0.0 5,-0.3 -0.933 75.8 -65.2-170.6-171.3 36.6 75.1 -11.7 39 87 A E H > S+ 0 0 167 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.770 129.2 51.6 -65.6 -27.7 38.2 78.2 -13.0 40 88 A K H > S+ 0 0 145 2,-0.2 4,-1.8 3,-0.1 5,-0.3 0.968 114.6 42.0 -69.5 -54.5 37.8 80.1 -9.7 41 89 A Y H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.953 117.7 48.5 -53.0 -50.4 39.4 77.3 -7.7 42 90 A D H X S+ 0 0 45 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.870 107.3 56.2 -58.1 -38.2 42.1 76.8 -10.4 43 91 A Y H X S+ 0 0 135 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.899 114.0 37.4 -62.7 -45.9 42.8 80.5 -10.6 44 92 A Y H X S+ 0 0 61 -4,-1.8 4,-1.4 -3,-0.2 -1,-0.2 0.824 114.9 55.0 -79.1 -33.2 43.6 80.9 -6.9 45 93 A F H X S+ 0 0 10 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.912 107.9 50.3 -62.2 -41.2 45.4 77.5 -6.8 46 94 A N H X S+ 0 0 79 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.820 105.5 56.6 -69.0 -29.6 47.7 78.5 -9.7 47 95 A Q H X S+ 0 0 57 -4,-1.2 4,-0.7 -5,-0.2 -1,-0.2 0.901 112.7 40.8 -64.0 -43.2 48.5 81.7 -7.8 48 96 A I H >X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 3,-1.1 0.922 110.8 56.8 -69.6 -47.6 49.7 79.7 -4.8 49 97 A K H 3< S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.788 107.4 50.8 -55.5 -31.8 51.4 77.2 -7.1 50 98 A D H 3< S+ 0 0 134 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.699 118.5 36.6 -70.2 -30.9 53.4 80.1 -8.5 51 99 A K H << S+ 0 0 159 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.689 104.2 77.2 -99.4 -21.7 54.4 81.4 -5.1 52 100 A A S < S- 0 0 14 -4,-2.8 3,-0.2 1,-0.1 -23,-0.1 -0.624 77.0-130.1 -92.8 149.2 55.0 78.2 -3.1 53 101 A E S S+ 0 0 108 -25,-1.1 2,-0.3 -2,-0.3 -24,-0.2 0.874 98.3 3.1 -60.7 -33.2 58.0 75.8 -3.4 54 102 A W E -b 29 0A 126 -26,-1.5 -24,-2.3 -6,-0.1 2,-0.3 -0.978 69.6-179.5-155.5 140.3 55.5 73.0 -3.9 55 103 A A E -b 30 0A 6 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.996 3.8-170.6-145.3 141.8 51.6 72.8 -4.1 56 104 A Y E -b 31 0A 113 -26,-1.9 -24,-2.9 -2,-0.3 2,-0.7 -0.999 12.9-150.6-138.0 139.4 49.2 70.0 -4.5 57 105 A F E -b 32 0A 18 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.918 9.3-162.3-112.3 101.2 45.4 70.0 -5.2 58 106 A F E -b 33 0A 93 -26,-2.8 -24,-2.4 -2,-0.7 2,-1.0 -0.806 9.3-154.2 -81.4 114.4 43.6 66.9 -3.7 59 107 A H E -b 34 0A 105 -2,-0.7 -24,-0.2 -26,-0.2 -26,-0.1 -0.787 21.0-157.2 -94.9 96.0 40.3 66.8 -5.6 60 108 A L - 0 0 54 -26,-1.3 2,-0.2 -2,-1.0 3,-0.1 -0.169 19.9 -96.6 -78.6 156.9 38.1 65.0 -3.0 61 109 A P > - 0 0 89 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.518 52.6 -94.8 -73.6 143.3 34.9 63.0 -3.5 62 110 A Y T 3 S+ 0 0 165 1,-0.2 -26,-0.0 -2,-0.2 -28,-0.0 -0.254 104.1 23.7 -59.2 131.3 31.7 64.9 -2.9 63 111 A G T 3 S+ 0 0 26 2,-0.1 -1,-0.2 -3,-0.1 20,-0.0 0.407 76.7 119.6 101.7 1.3 30.2 64.6 0.6 64 112 A L < + 0 0 96 -3,-1.3 2,-0.7 1,-0.1 -2,-0.1 0.751 62.7 73.1 -66.4 -28.6 33.3 63.6 2.7 65 113 A N - 0 0 54 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 -0.820 54.5-178.7 -96.1 110.6 33.0 66.7 4.9 66 114 A K + 0 0 105 -2,-0.7 -1,-0.1 2,-0.0 2,-0.1 0.670 65.5 65.9 -82.7 -15.1 30.1 66.7 7.4 67 115 A S S S- 0 0 64 13,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.140 77.6-124.1 -93.3-165.4 30.9 70.1 8.9 68 116 A F - 0 0 50 1,-0.1 -2,-0.0 -2,-0.1 -1,-0.0 -0.999 14.0-160.9-147.4 130.7 30.7 73.6 7.3 69 117 A N S S+ 0 0 82 -2,-0.3 2,-0.3 -61,-0.1 -1,-0.1 0.664 89.7 48.7 -84.8 -19.1 33.2 76.5 6.9 70 118 A F S S- 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.779 106.9 -90.1-110.8 161.8 30.3 78.9 6.3 71 119 A I - 0 0 163 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.644 52.6-133.4 -72.2 115.7 27.1 79.2 8.5 72 120 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.316 5.4-130.5 -71.2 146.8 24.6 76.7 6.9 73 121 A T > - 0 0 76 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.519 35.5-102.3 -82.1 165.3 20.9 77.4 6.1 74 122 A X H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 126.2 53.4 -54.7 -38.7 18.3 74.9 7.3 75 123 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 108.2 47.2 -65.1 -45.3 18.2 73.6 3.7 76 124 A E H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 113.7 50.4 -60.3 -40.4 22.1 73.0 3.6 77 125 A L H X S+ 0 0 75 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.907 111.0 47.6 -61.6 -42.1 21.8 71.3 7.0 78 126 A K H X S+ 0 0 123 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.865 111.2 50.5 -72.1 -38.9 19.0 69.0 5.8 79 127 A V H < S+ 0 0 66 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.923 112.6 45.5 -65.5 -46.4 20.8 68.1 2.6 80 128 A K H >X S+ 0 0 40 -4,-2.1 3,-1.7 1,-0.2 4,-1.6 0.968 112.2 53.1 -59.7 -54.8 24.0 67.2 4.3 81 129 A A H 3< S+ 0 0 68 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.866 114.2 39.8 -45.6 -50.5 22.1 65.2 7.0 82 130 A X T 3< S+ 0 0 160 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.275 108.8 61.3 -94.3 9.7 20.2 63.0 4.5 83 131 A L T <4 S+ 0 0 78 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.772 83.2 100.5 -89.3 -36.3 23.2 62.6 2.2 84 132 A L S < S- 0 0 59 -4,-1.6 -20,-0.0 -3,-0.2 -21,-0.0 -0.237 76.5-126.2 -62.4 122.9 25.1 60.9 5.0 85 133 A P - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.330 23.9-116.0 -60.1 148.5 25.2 57.1 4.8 86 134 A K - 0 0 211 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.835 34.3-156.3 -84.4 125.6 24.0 55.2 8.0 87 135 A V + 0 0 38 -2,-0.5 3,-0.1 1,-0.1 22,-0.1 -0.903 27.8 166.7-114.6 115.2 27.1 53.3 9.3 88 136 A K S S+ 0 0 157 -2,-0.6 23,-2.4 1,-0.3 2,-0.3 0.733 70.1 11.4 -93.1 -21.1 26.7 50.3 11.5 89 137 A R E -c 111 0B 84 21,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.988 54.8-157.1-162.5 141.0 30.3 49.0 11.2 90 138 A I E -c 112 0B 21 21,-2.8 23,-2.6 -2,-0.3 2,-0.4 -0.987 5.8-167.6-126.9 129.2 33.8 49.8 10.1 91 139 A Y E +c 113 0B 112 -2,-0.4 2,-0.3 21,-0.2 23,-0.2 -0.960 23.9 148.6-112.6 134.4 36.6 47.4 9.2 92 140 A L E -c 114 0B 4 21,-1.6 23,-1.3 -2,-0.4 5,-0.1 -0.966 51.8 -80.3-156.4 161.9 40.1 48.8 8.7 93 141 A A E >> -c 115 0B 8 -2,-0.3 3,-0.8 21,-0.2 4,-0.5 -0.327 50.0-110.5 -61.4 153.4 43.8 47.8 9.1 94 142 A S T >4 S+ 0 0 0 21,-2.3 3,-1.3 1,-0.3 4,-0.2 0.908 117.8 47.1 -60.8 -44.0 44.9 48.1 12.8 95 143 A L T >> S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 3,-1.3 0.666 96.2 72.5 -73.3 -17.0 47.2 51.1 12.1 96 144 A E H <> S+ 0 0 76 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.680 81.0 74.5 -67.9 -15.2 44.5 52.9 10.1 97 145 A K H << S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.794 104.1 40.5 -59.9 -24.9 42.9 53.4 13.6 98 146 A V H X4 S+ 0 0 43 -3,-1.3 3,-0.8 -4,-0.2 4,-0.2 0.922 118.6 41.1 -85.7 -53.3 45.7 55.9 13.8 99 147 A S H 3< S+ 0 0 91 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.748 127.0 33.0 -77.0 -22.1 45.7 57.5 10.4 100 148 A I T >X S+ 0 0 59 -4,-2.5 4,-2.3 -5,-0.1 3,-0.8 0.183 80.1 121.4-118.3 22.5 41.9 57.6 10.0 101 149 A A H <> S+ 0 0 26 -3,-0.8 4,-2.4 1,-0.2 -1,-0.1 0.826 71.7 56.9 -37.3 -47.2 41.1 58.2 13.7 102 150 A A H 34 S+ 0 0 81 -4,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.849 107.4 46.4 -67.7 -38.8 39.4 61.5 12.9 103 151 A F H X4 S+ 0 0 87 -3,-0.8 3,-1.5 2,-0.2 -1,-0.2 0.919 110.1 53.7 -68.6 -42.6 36.9 59.9 10.6 104 152 A L H >< S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.3 6,-0.2 0.915 100.2 62.0 -56.8 -40.6 36.2 57.0 13.0 105 153 A S T 3< S+ 0 0 69 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.742 92.7 65.3 -60.0 -20.5 35.4 59.6 15.7 106 154 A T T < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.483 104.2 46.3 -82.4 -2.1 32.5 60.8 13.5 107 155 A Y X + 0 0 34 -3,-2.3 3,-1.7 -4,-0.2 -1,-0.3 -0.570 66.6 161.8-131.0 66.5 30.7 57.4 13.9 108 156 A P T 3 S+ 0 0 102 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.728 75.6 51.5 -65.7 -19.8 31.0 56.8 17.7 109 157 A D T 3 S+ 0 0 159 -22,-0.1 2,-0.1 -3,-0.1 -3,-0.0 0.487 84.7 108.8 -95.6 -4.6 28.2 54.2 17.6 110 158 A A S < S- 0 0 12 -3,-1.7 2,-0.3 -6,-0.2 -21,-0.3 -0.466 74.7-120.1 -69.3 141.5 29.7 52.2 14.7 111 159 A E E -c 89 0B 57 -23,-2.4 -21,-2.8 -2,-0.1 2,-0.5 -0.671 32.1-149.9 -73.6 134.7 31.1 48.8 15.7 112 160 A I E +c 90 0B 8 47,-0.4 49,-1.4 -2,-0.3 50,-0.6 -0.936 19.8 174.4-114.8 132.8 34.8 48.7 14.8 113 161 A K E -cd 91 162B 15 -23,-2.6 -21,-1.6 -2,-0.5 2,-0.2 -0.986 12.9-153.1-133.5 149.7 36.9 45.7 13.7 114 162 A T E -cd 92 163B 0 48,-2.6 50,-3.1 -2,-0.3 2,-0.3 -0.719 7.1-162.2-120.7 162.2 40.5 45.5 12.5 115 163 A F E -cd 93 164B 85 -23,-1.3 -21,-2.3 -2,-0.2 50,-0.2 -0.934 42.7 -74.1-135.5 163.1 42.7 43.3 10.4 116 164 A D - 0 0 16 48,-1.8 3,-0.1 -2,-0.3 -23,-0.0 -0.287 26.0-148.7 -56.1 137.3 46.5 43.0 10.0 117 165 A D - 0 0 59 1,-0.3 2,-0.3 -24,-0.1 -1,-0.2 0.828 64.8 -79.5 -65.6 -36.6 48.3 45.8 8.3 118 166 A G S > S- 0 0 27 157,-0.0 3,-1.6 0, 0.0 -1,-0.3 -0.948 81.0 -29.6 161.1-156.2 50.8 43.2 7.1 119 167 A T G > S+ 0 0 65 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.660 117.1 83.7 -67.2 -14.5 53.8 41.4 8.7 120 168 A I G > S+ 0 0 40 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.830 81.2 65.6 -54.1 -27.9 54.3 44.6 10.9 121 169 A N G < S+ 0 0 0 -3,-1.6 52,-3.0 1,-0.2 53,-0.3 0.646 89.5 67.6 -68.5 -14.5 51.6 43.0 13.2 122 170 A L G < S+ 0 0 4 -3,-2.1 2,-0.9 50,-0.2 -1,-0.2 0.499 75.3 93.3 -86.8 -7.2 54.1 40.1 13.9 123 171 A I S < S- 0 0 15 -3,-1.3 5,-0.1 -4,-0.3 50,-0.1 -0.790 76.6-138.1 -86.2 111.5 56.5 42.2 15.9 124 172 A Q >> - 0 0 73 -2,-0.9 3,-1.5 1,-0.1 4,-0.6 -0.320 19.8-108.8 -69.6 152.5 55.5 41.9 19.5 125 173 A S G >4 S+ 0 0 65 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.846 114.6 58.6 -48.2 -43.8 55.5 45.0 21.7 126 174 A S G >4 S+ 0 0 80 1,-0.2 3,-1.7 2,-0.2 -1,-0.3 0.797 94.4 66.2 -60.8 -28.5 58.5 43.9 23.8 127 175 A S G X4 S+ 0 0 41 -3,-1.5 3,-2.0 1,-0.3 -1,-0.2 0.796 89.0 64.9 -69.0 -26.9 60.8 43.8 20.6 128 176 A Y G << S+ 0 0 3 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.649 99.2 54.7 -70.4 -12.3 60.5 47.5 20.2 129 177 A L G < S+ 0 0 121 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.194 85.6 123.2 -94.8 9.4 62.4 47.8 23.5 130 178 A G S X S- 0 0 27 -3,-2.0 3,-1.4 1,-0.1 4,-0.2 -0.256 78.6-111.1 -73.7 166.4 65.2 45.6 22.2 131 179 A D G > S+ 0 0 147 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.823 116.1 69.2 -66.3 -33.1 68.8 46.9 22.1 132 180 A E G 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.768 108.6 35.6 -48.7 -31.7 68.6 47.0 18.4 133 181 A F G < S+ 0 0 2 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.239 100.9 78.2-111.2 7.9 66.1 49.9 18.8 134 182 A S < + 0 0 48 -3,-1.5 2,-0.6 -4,-0.2 -2,-0.1 0.315 53.2 110.1-113.2 15.7 67.5 51.7 21.9 135 183 A V S > S- 0 0 90 -4,-0.3 3,-1.4 -3,-0.2 6,-0.4 -0.776 74.5-119.3 -76.2 118.1 70.5 53.8 20.6 136 184 A N T 3 S+ 0 0 124 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.283 90.4 17.0 -64.1 143.9 69.2 57.4 20.9 137 185 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.283 93.9 128.7 78.9 -10.2 69.1 59.5 17.7 138 186 A T S <> S- 0 0 47 -3,-1.4 4,-2.0 1,-0.1 -1,-0.3 -0.332 71.3-121.3 -75.0 157.8 69.3 56.4 15.4 139 187 A I H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.881 116.0 55.6 -62.3 -34.8 66.8 55.8 12.6 140 188 A K H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 105.9 48.6 -67.5 -45.1 66.0 52.5 14.4 141 189 A R H > S+ 0 0 59 -6,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.935 112.4 48.7 -52.9 -53.3 65.1 54.2 17.7 142 190 A N H X S+ 0 0 93 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.880 110.2 52.1 -60.6 -39.7 62.8 56.8 15.9 143 191 A F H X S+ 0 0 56 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.944 112.1 45.2 -57.5 -49.0 61.1 53.9 14.0 144 192 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.872 111.9 51.8 -65.7 -38.8 60.4 52.1 17.3 145 193 A R H X S+ 0 0 113 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 111.2 47.5 -60.8 -51.4 59.2 55.2 19.1 146 194 A X H X S+ 0 0 104 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 114.5 47.0 -52.6 -52.8 56.8 55.9 16.2 147 195 A X H X S+ 0 0 12 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.920 109.1 53.2 -62.8 -43.8 55.6 52.3 16.3 148 196 A I H X S+ 0 0 63 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.944 112.8 45.4 -55.5 -46.1 55.2 52.2 20.1 149 197 A G H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.905 114.5 47.8 -63.3 -42.1 53.0 55.4 19.9 150 198 A D H X S+ 0 0 47 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.919 111.7 47.6 -70.5 -43.4 50.9 54.1 17.0 151 199 A W H X S+ 0 0 5 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.898 110.5 54.8 -63.3 -35.9 50.2 50.6 18.5 152 200 A S H X S+ 0 0 61 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.964 112.3 41.3 -63.7 -48.8 49.2 52.3 21.8 153 201 A I H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 114.3 52.7 -65.2 -43.2 46.7 54.5 20.0 154 202 A A H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.9 39.9 -56.2 -39.3 45.5 51.6 17.8 155 203 A K H < S+ 0 0 28 -4,-2.6 5,-0.2 -5,-0.2 -1,-0.2 0.844 124.8 32.1 -78.2 -33.5 44.9 49.4 20.9 156 204 A T H < S+ 0 0 77 -4,-2.2 3,-0.3 -5,-0.2 2,-0.2 0.595 105.0 66.4-110.4 -13.2 43.5 52.0 23.4 157 205 A R S < S+ 0 0 154 -4,-2.1 3,-0.1 -5,-0.2 -60,-0.0 -0.691 101.5 14.4-105.7 164.5 41.4 54.5 21.4 158 206 A N S S- 0 0 49 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.877 96.0-120.9 38.5 60.5 38.2 54.0 19.4 159 207 A A - 0 0 95 -3,-0.3 2,-0.4 1,-0.1 -47,-0.4 0.123 32.3-169.2 -32.2 125.9 37.6 50.6 21.1 160 208 A S - 0 0 5 -5,-0.2 -47,-0.2 -3,-0.1 -1,-0.1 -0.982 11.8-155.0-125.6 137.6 37.4 47.8 18.4 161 209 A D + 0 0 72 -49,-1.4 19,-2.8 -2,-0.4 2,-0.3 0.551 68.2 38.1 -97.6 -6.4 36.2 44.4 19.6 162 210 A E E -de 113 180B 28 -50,-0.6 -48,-2.6 17,-0.3 2,-0.4 -0.999 54.5-161.2-146.8 142.5 37.8 42.0 17.0 163 211 A H E -de 114 181B 0 17,-3.1 19,-3.0 -2,-0.3 2,-0.6 -0.954 10.4-151.6-127.1 121.1 41.0 41.6 15.1 164 212 A Y E -de 115 182B 46 -50,-3.1 -48,-1.8 -2,-0.4 2,-0.4 -0.733 15.7-173.9 -84.3 120.7 41.5 39.4 12.0 165 213 A T E - e 0 183B 11 17,-2.8 19,-3.3 -2,-0.6 -2,-0.0 -0.918 21.6-158.7-113.3 141.8 44.9 38.0 11.4 166 214 A I S S+ 0 0 48 -2,-0.4 2,-0.6 17,-0.2 20,-0.3 0.371 71.3 89.4 -92.2 3.3 46.0 36.1 8.3 167 215 A F > - 0 0 13 3,-0.1 3,-0.8 18,-0.1 2,-0.3 -0.899 68.3-146.1-111.2 118.9 48.9 34.4 10.1 168 216 A K T 3 S- 0 0 144 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.546 77.4 -0.8 -80.0 134.1 48.3 31.1 11.9 169 217 A G T 3 S+ 0 0 76 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.752 98.5 115.1 62.0 25.7 50.2 30.4 15.1 170 218 A L S < S- 0 0 21 -3,-0.8 -1,-0.2 142,-0.0 -3,-0.1 -0.999 71.9-111.7-127.5 128.3 52.2 33.6 15.2 171 219 A K - 0 0 139 -2,-0.4 2,-0.4 -49,-0.1 -47,-0.0 -0.319 30.7-142.6 -62.4 128.8 51.6 36.0 18.1 172 220 A N > - 0 0 6 1,-0.1 3,-2.2 -2,-0.1 -50,-0.2 -0.817 14.9-136.1 -93.0 135.0 50.0 39.3 17.0 173 221 A I T 3 S+ 0 0 8 -52,-3.0 -1,-0.1 -2,-0.4 -51,-0.1 0.765 109.6 60.2 -51.7 -28.9 50.8 42.7 18.5 174 222 A X T 3 S+ 0 0 0 -53,-0.3 2,-1.5 1,-0.1 -1,-0.3 0.494 76.8 96.3 -78.8 -3.7 47.0 43.2 18.6 175 223 A D < + 0 0 96 -3,-2.2 -1,-0.1 1,-0.2 5,-0.1 -0.626 44.6 132.3 -84.2 80.9 46.5 40.2 20.9 176 224 A D S S- 0 0 38 -2,-1.5 -1,-0.2 3,-0.1 -2,-0.0 0.168 80.2-101.7-124.1 9.1 46.4 42.3 24.0 177 225 A G S S+ 0 0 72 2,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.310 103.1 96.6 81.7 -4.9 43.3 41.0 25.8 178 226 A R S S+ 0 0 135 -4,-0.2 2,-0.3 1,-0.0 -18,-0.1 0.461 87.7 23.5 -92.4 0.6 41.1 43.9 24.6 179 227 A R S S- 0 0 22 -5,-0.1 2,-0.4 -20,-0.0 -2,-0.3 -0.984 84.9 -91.7-159.2 157.9 39.6 42.1 21.6 180 228 A K E -e 162 0B 140 -19,-2.8 -17,-3.1 -2,-0.3 2,-0.5 -0.678 37.8-141.1 -75.6 132.5 38.7 38.8 20.1 181 229 A X E -e 163 0B 46 -2,-0.4 2,-0.5 -19,-0.2 -17,-0.2 -0.813 19.2-169.6 -94.4 130.8 41.5 37.4 17.8 182 230 A T E -e 164 0B 36 -19,-3.0 -17,-2.8 -2,-0.5 2,-0.5 -0.977 18.5-140.4-126.0 121.9 40.3 35.7 14.6 183 231 A Y E -e 165 0B 104 -2,-0.5 -17,-0.2 -19,-0.2 -19,-0.1 -0.685 20.5-173.5 -72.5 123.5 42.4 33.7 12.3 184 232 A L - 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