==== 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 2YK4 . 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) . 19294.0 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 . 54 16.6 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 . 26 8.0 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 . 81 24.8 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 1 2 0 0 0 1 1 2 0 2 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 2 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 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 48 A E 0 0 110 0, 0.0 26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.5 66.4 75.7 5.8 2 49 A P - 0 0 119 0, 0.0 26,-0.5 0, 0.0 2,-0.3 -0.259 360.0-131.6 -74.4 164.0 63.1 74.5 7.2 3 50 A V E -a 28 0A 54 24,-0.1 2,-0.4 26,-0.0 26,-0.2 -0.734 3.4-133.4-111.3 161.2 59.9 74.9 5.4 4 51 A N E -a 29 0A 59 24,-2.7 26,-2.5 -2,-0.3 2,-0.4 -0.922 20.2-146.6-105.2 139.4 56.5 76.3 6.3 5 52 A L E -a 30 0A 101 -2,-0.4 2,-0.4 24,-0.2 26,-0.2 -0.883 10.3-167.4-103.7 141.2 53.4 74.3 5.4 6 53 A I E -a 31 0A 23 24,-2.4 26,-3.0 -2,-0.4 2,-0.5 -0.994 1.8-165.2-123.5 127.9 50.0 75.9 4.5 7 54 A F E +a 32 0A 124 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.962 15.1 173.7-114.3 124.7 46.8 73.8 4.2 8 55 A C E +a 33 0A 3 24,-2.6 26,-3.0 -2,-0.5 3,-0.1 -0.925 23.3 176.1-127.5 144.0 43.8 75.4 2.5 9 56 A Y + 0 0 91 -2,-0.3 2,-0.3 24,-0.2 27,-0.2 0.297 69.2 45.2-130.9 10.3 40.3 74.2 1.5 10 57 A T S > S- 0 0 12 1,-0.1 4,-1.5 25,-0.1 5,-0.1 -0.947 80.4-113.6-138.4 168.4 38.7 77.3 0.0 11 58 A I H > S+ 0 0 34 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 116.5 51.9 -65.1 -47.3 39.6 80.2 -2.3 12 59 A L H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 107.5 54.0 -58.5 -37.2 39.4 82.8 0.4 13 60 A Q H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.871 105.8 53.0 -63.9 -36.4 41.8 80.7 2.5 14 61 A X H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.881 107.1 52.1 -65.7 -35.5 44.2 80.6 -0.5 15 62 A K H X S+ 0 0 91 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.893 109.3 48.9 -64.0 -39.5 44.0 84.4 -0.5 16 63 A V H X S+ 0 0 86 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 108.6 54.1 -61.6 -45.1 44.9 84.3 3.2 17 64 A A H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.914 107.4 51.6 -53.2 -45.3 47.8 81.9 2.3 18 65 A E H X S+ 0 0 29 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.889 109.0 49.5 -60.9 -40.7 49.0 84.5 -0.3 19 66 A R H X S+ 0 0 167 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.923 112.2 47.8 -64.4 -43.5 49.0 87.3 2.3 20 67 A I H X S+ 0 0 64 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.931 112.0 50.1 -63.2 -45.7 50.9 85.2 4.8 21 68 A X H >< S+ 0 0 14 -4,-3.0 3,-1.2 1,-0.2 6,-0.3 0.889 108.0 53.0 -60.0 -39.0 53.4 84.2 2.2 22 69 A A H 3< S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.7 55.0 -73.8 -26.7 54.0 87.8 1.1 23 70 A Q H 3< S+ 0 0 122 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.572 111.9 46.5 -76.4 -10.5 54.7 88.9 4.7 24 71 A H X< + 0 0 71 -3,-1.2 3,-2.3 -4,-0.5 -1,-0.2 -0.464 66.5 156.8-128.0 59.0 57.4 86.2 4.8 25 72 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.721 73.9 54.2 -63.5 -19.6 59.2 86.9 1.5 26 73 A G T 3 S+ 0 0 77 -3,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.480 95.5 85.0 -91.9 -3.5 62.4 85.2 2.9 27 74 A E S < S- 0 0 94 -3,-2.3 2,-0.4 -6,-0.3 -24,-0.1 -0.636 75.5-118.4-104.7 159.0 60.8 81.9 3.9 28 75 A R E -a 3 0A 81 -26,-0.5 -24,-2.7 -2,-0.2 2,-0.4 -0.792 30.2-167.4 -96.5 131.9 60.0 78.7 2.0 29 76 A F E -a 4 0A 14 -2,-0.4 26,-1.6 -26,-0.2 25,-1.2 -0.967 17.8-168.7-122.1 133.4 56.3 77.6 1.7 30 77 A Y E -ab 5 55A 67 -26,-2.5 -24,-2.4 -2,-0.4 2,-0.4 -0.995 21.3-164.0-110.7 127.6 54.7 74.4 0.6 31 78 A V E -ab 6 56A 1 24,-2.5 26,-2.3 -2,-0.5 2,-0.5 -0.931 8.3-165.0-119.1 132.4 51.0 74.9 0.1 32 79 A V E -ab 7 57A 17 -26,-3.0 -24,-2.6 -2,-0.4 2,-0.6 -0.968 3.0-161.7-117.3 124.2 48.4 72.2 -0.2 33 80 A L E -ab 8 58A 1 24,-2.8 26,-3.6 -2,-0.5 2,-0.5 -0.914 7.1-167.8-100.8 127.2 44.9 72.9 -1.5 34 81 A X E + b 0 59A 47 -26,-3.0 2,-0.3 -2,-0.6 26,-0.2 -0.961 19.1 156.4-112.0 126.3 42.3 70.3 -0.6 35 82 A S E - b 0 60A 7 24,-1.4 26,-2.7 -2,-0.5 -25,-0.1 -0.999 46.6-156.6-149.1 148.0 39.0 70.4 -2.4 36 83 A E S S+ 0 0 38 -2,-0.3 2,-0.2 24,-0.2 27,-0.2 0.523 83.5 77.8 -83.1 -14.3 36.0 68.3 -3.4 37 84 A N - 0 0 86 25,-0.1 2,-0.4 -3,-0.1 24,-0.1 -0.600 57.7-162.4-107.4 156.4 35.4 70.9 -6.2 38 85 A R + 0 0 177 -2,-0.2 2,-0.3 22,-0.0 3,-0.0 -0.982 30.4 118.7-137.9 127.1 36.7 71.9 -9.6 39 86 A N > - 0 0 70 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.985 68.1 -86.4-167.5 178.3 36.3 75.2 -11.6 40 87 A E H > S+ 0 0 173 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.853 121.4 53.0 -64.9 -34.8 37.9 78.2 -13.2 41 88 A K H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.958 108.9 48.4 -67.4 -47.7 37.9 80.2 -10.0 42 89 A Y H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 112.9 50.0 -56.7 -42.4 39.7 77.5 -8.0 43 90 A D H X S+ 0 0 75 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.927 106.3 54.8 -63.8 -45.9 42.3 77.2 -10.8 44 91 A Y H X S+ 0 0 133 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.918 115.0 37.5 -55.1 -52.1 43.0 80.9 -10.9 45 92 A Y H X S+ 0 0 62 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.868 115.7 53.8 -70.0 -35.5 43.9 81.3 -7.3 46 93 A F H X S+ 0 0 16 -4,-2.3 4,-3.0 -5,-0.3 -2,-0.2 0.925 108.0 51.1 -65.5 -40.7 45.6 77.9 -7.2 47 94 A N H X S+ 0 0 82 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.892 107.3 52.9 -62.7 -36.7 47.8 79.0 -10.1 48 95 A Q H X S+ 0 0 44 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.924 111.1 47.6 -60.9 -41.7 48.6 82.2 -8.2 49 96 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 3,-0.5 0.951 108.7 53.5 -64.2 -49.6 49.7 79.9 -5.3 50 97 A K H < S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.7 48.3 -46.1 -48.6 51.7 77.7 -7.7 51 98 A D H < S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 119.2 37.8 -62.5 -34.4 53.5 80.9 -8.9 52 99 A K H < S+ 0 0 132 -4,-1.6 2,-0.2 -3,-0.5 -2,-0.2 0.730 103.8 71.9 -97.5 -25.1 54.3 82.1 -5.4 53 100 A A S < S- 0 0 13 -4,-2.9 3,-0.2 -5,-0.1 -23,-0.1 -0.614 75.6-128.7 -93.0 153.7 55.1 79.0 -3.4 54 101 A E S S+ 0 0 101 -25,-1.2 2,-0.3 1,-0.3 -24,-0.2 0.901 100.5 6.7 -60.4 -39.6 58.2 76.8 -3.6 55 102 A W E S-b 30 0A 121 -26,-1.6 -24,-2.5 -6,-0.1 2,-0.3 -0.995 70.3-176.1-148.8 137.7 55.9 73.9 -4.0 56 103 A A E -b 31 0A 5 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.998 2.5-173.0-137.6 141.4 52.1 73.6 -4.4 57 104 A Y E -b 32 0A 116 -26,-2.3 -24,-2.8 -2,-0.3 2,-0.6 -0.993 17.3-148.1-141.1 131.0 49.8 70.6 -4.6 58 105 A F E -b 33 0A 45 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.864 16.4-166.7 -96.2 123.3 46.1 70.1 -5.3 59 106 A F E -b 34 0A 94 -26,-3.6 -24,-1.4 -2,-0.6 2,-0.1 -0.911 12.0-147.1-117.8 98.3 44.8 67.2 -3.4 60 107 A H E -b 35 0A 85 -2,-0.8 -24,-0.2 -26,-0.2 -26,-0.0 -0.463 13.3-158.7 -67.0 141.5 41.4 66.2 -4.7 61 108 A L - 0 0 34 -26,-2.7 2,-0.1 -2,-0.1 3,-0.1 -0.939 24.8 -99.6-122.6 145.4 38.9 64.8 -2.2 62 109 A P > - 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.407 49.2 -98.1 -59.1 135.6 35.8 62.7 -2.7 63 110 A Y T 3 S+ 0 0 155 1,-0.3 -26,-0.0 -27,-0.2 -28,-0.0 -0.279 108.0 22.5 -54.3 135.2 32.6 64.6 -2.7 64 111 A G T 3 S+ 0 0 16 2,-0.1 -1,-0.3 -3,-0.1 20,-0.0 0.403 82.1 119.2 83.7 0.4 30.9 64.4 0.7 65 112 A L < + 0 0 78 -3,-1.9 2,-0.6 1,-0.1 -2,-0.1 0.927 65.6 65.9 -60.0 -43.5 34.0 63.6 2.8 66 113 A N - 0 0 56 -4,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.720 58.6-175.3 -85.5 117.4 33.6 66.8 4.9 67 114 A K + 0 0 96 -2,-0.6 -1,-0.1 2,-0.0 2,-0.1 0.479 66.7 72.5 -86.0 -7.7 30.4 66.8 7.1 68 115 A S S S- 0 0 64 13,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.402 73.8-133.7-100.8-178.5 31.2 70.4 8.2 69 116 A F - 0 0 46 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.994 11.5-151.2-136.5 139.4 30.9 73.7 6.4 70 117 A N S S+ 0 0 92 -2,-0.4 2,-0.2 -61,-0.1 -1,-0.1 0.716 92.1 51.2 -76.4 -20.8 33.3 76.7 6.2 71 118 A F S S- 0 0 93 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.508 107.4 -88.3-103.8 173.7 30.2 78.9 5.7 72 119 A I - 0 0 162 -2,-0.2 2,-0.1 1,-0.0 -2,-0.1 -0.806 53.0-134.6 -86.3 116.8 27.0 79.1 7.8 73 120 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.370 7.4-132.3 -79.2 147.7 24.8 76.4 6.2 74 121 A T > - 0 0 75 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.364 34.1-100.1 -79.8 171.5 21.1 77.0 5.4 75 122 A X H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 125.9 54.2 -58.5 -40.0 18.4 74.4 6.4 76 123 A A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.6 46.4 -59.3 -45.0 18.5 73.1 2.8 77 124 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 111.0 51.1 -68.0 -40.8 22.3 72.6 3.0 78 125 A L H X S+ 0 0 76 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 111.3 50.2 -60.1 -46.9 22.1 70.8 6.4 79 126 A K H X S+ 0 0 140 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.903 108.6 50.5 -57.4 -49.9 19.4 68.5 5.0 80 127 A V H X S+ 0 0 81 -4,-2.4 4,-1.2 1,-0.2 3,-0.4 0.938 114.2 44.6 -54.2 -48.7 21.4 67.6 1.9 81 128 A K H X S+ 0 0 33 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.893 109.6 56.5 -64.7 -40.4 24.5 66.7 4.0 82 129 A A H < S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.761 113.9 38.1 -64.2 -27.3 22.5 64.8 6.5 83 130 A X H < S+ 0 0 162 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.525 104.8 63.0-110.4 -1.0 21.0 62.4 3.9 84 131 A L H < S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.827 84.1 104.8 -74.2 -33.4 24.0 62.0 1.7 85 132 A L S < S- 0 0 57 -4,-1.3 2,-0.1 -5,-0.2 -21,-0.0 -0.237 72.7-137.9 -54.9 110.6 25.5 60.4 4.9 86 133 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.440 22.4-119.8 -60.6 139.7 25.6 56.6 4.6 87 134 A K - 0 0 207 -2,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.821 32.9-152.1 -85.7 129.0 24.6 55.1 7.9 88 135 A V + 0 0 42 -2,-0.5 3,-0.1 1,-0.1 22,-0.1 -0.877 28.4 170.9-117.9 114.1 27.6 53.0 9.1 89 136 A K S S+ 0 0 157 -2,-0.6 23,-2.3 1,-0.3 2,-0.3 0.822 71.9 10.3 -89.9 -28.3 27.3 50.0 11.3 90 137 A R E -c 112 0B 87 21,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.997 55.3-158.6-153.6 146.5 30.9 48.7 11.1 91 138 A I E -c 113 0B 22 21,-2.6 23,-2.2 -2,-0.3 2,-0.4 -0.997 6.9-167.6-130.1 127.1 34.3 49.8 9.8 92 139 A Y E +c 114 0B 106 -2,-0.4 2,-0.3 21,-0.2 23,-0.2 -0.949 23.7 148.9-109.2 138.7 37.2 47.4 9.0 93 140 A L E -c 115 0B 4 21,-1.7 23,-1.4 -2,-0.4 5,-0.1 -0.979 51.1 -76.3-160.8 163.8 40.7 48.9 8.4 94 141 A A E >> -c 116 0B 8 -2,-0.3 3,-1.1 21,-0.2 4,-0.8 -0.335 48.8-112.9 -65.2 147.8 44.4 48.1 8.8 95 142 A S T >4 S+ 0 0 0 21,-2.3 3,-1.1 1,-0.3 4,-0.3 0.893 117.6 47.0 -52.7 -41.8 45.6 48.4 12.4 96 143 A L T >> S+ 0 0 31 1,-0.3 4,-1.7 2,-0.2 3,-1.4 0.704 96.9 72.2 -78.4 -14.6 47.9 51.4 11.7 97 144 A E H <> S+ 0 0 76 -3,-1.1 4,-2.9 1,-0.3 -1,-0.3 0.719 81.1 74.2 -69.9 -15.5 45.0 53.1 9.8 98 145 A K H << S+ 0 0 3 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.839 104.4 38.6 -60.5 -27.3 43.5 53.6 13.2 99 146 A V H X4 S+ 0 0 39 -3,-1.4 3,-1.2 -4,-0.3 4,-0.3 0.925 119.2 44.8 -81.8 -55.4 46.3 56.3 13.6 100 147 A S H 3< S+ 0 0 90 -4,-1.7 3,-0.2 1,-0.3 -2,-0.2 0.815 125.6 29.2 -66.6 -33.2 46.1 57.7 10.0 101 148 A I T 3X S+ 0 0 64 -4,-2.9 4,-2.3 1,-0.1 3,-0.3 0.064 80.9 122.5-114.1 30.5 42.3 58.0 9.7 102 149 A A H <> S+ 0 0 12 -3,-1.2 4,-2.2 1,-0.2 -1,-0.1 0.829 70.3 57.4 -58.3 -36.6 41.5 58.5 13.3 103 150 A A H > S+ 0 0 83 -4,-0.3 4,-0.6 -3,-0.2 -1,-0.2 0.907 109.2 45.6 -66.4 -39.1 39.7 61.8 12.7 104 151 A F H >4 S+ 0 0 85 -3,-0.3 3,-1.2 1,-0.2 -2,-0.2 0.924 110.6 53.3 -65.6 -45.2 37.3 60.1 10.3 105 152 A L H >< S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.3 6,-0.2 0.886 101.8 60.6 -52.7 -42.6 36.7 57.2 12.7 106 153 A S H 3< S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.728 93.4 64.1 -63.8 -20.6 35.8 59.7 15.4 107 154 A T T << S+ 0 0 50 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.472 103.2 50.1 -80.2 -2.4 32.9 60.9 13.3 108 155 A Y X + 0 0 34 -3,-2.3 3,-2.1 -4,-0.2 -1,-0.2 -0.467 67.3 162.0-127.6 63.0 31.3 57.4 13.6 109 156 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.729 73.0 49.3 -61.8 -21.5 31.5 56.9 17.3 110 157 A D T 3 S+ 0 0 162 -3,-0.1 2,-0.2 -22,-0.1 -3,-0.0 0.401 84.3 111.2 -98.8 3.1 28.9 54.1 17.4 111 158 A A S < S- 0 0 13 -3,-2.1 2,-0.3 -6,-0.2 -21,-0.3 -0.556 73.2-119.3 -74.7 141.6 30.4 52.0 14.6 112 159 A E E -c 90 0B 61 -23,-2.3 -21,-2.6 -2,-0.2 2,-0.4 -0.648 32.5-149.7 -73.2 134.8 31.9 48.6 15.5 113 160 A I E +c 91 0B 10 47,-0.4 49,-1.6 -2,-0.3 50,-0.5 -0.944 19.7 175.6-115.8 130.8 35.6 48.7 14.6 114 161 A K E -cd 92 163B 15 -23,-2.2 -21,-1.7 -2,-0.4 2,-0.3 -0.974 13.1-153.5-129.2 146.6 37.6 45.7 13.5 115 162 A T E -cd 93 164B 0 48,-2.7 50,-2.8 -2,-0.3 2,-0.3 -0.758 6.4-163.9-116.4 161.9 41.3 45.7 12.3 116 163 A F E -cd 94 165B 86 -23,-1.4 -21,-2.3 -2,-0.3 50,-0.2 -0.927 42.9 -71.1-132.6 168.2 43.4 43.5 10.0 117 164 A D - 0 0 15 48,-1.9 3,-0.1 -2,-0.3 -23,-0.1 -0.265 25.4-150.7 -57.6 138.8 47.2 43.3 9.6 118 165 A D - 0 0 61 1,-0.3 2,-0.3 -24,-0.1 -1,-0.2 0.884 63.7 -85.2 -64.1 -40.4 48.9 46.2 7.9 119 166 A G S > S- 0 0 24 -3,-0.0 3,-1.8 157,-0.0 -1,-0.3 -0.964 77.7 -25.8 160.6-155.6 51.5 43.6 6.8 120 167 A T G > S+ 0 0 57 -2,-0.3 3,-2.6 1,-0.3 4,-0.3 0.736 117.7 80.4 -66.9 -17.3 54.7 42.0 8.2 121 168 A I G > S+ 0 0 43 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.834 81.7 67.0 -53.8 -27.9 55.2 45.1 10.4 122 169 A N G < S+ 0 0 0 -3,-1.8 52,-2.7 1,-0.2 -1,-0.3 0.714 89.5 66.6 -65.1 -14.2 52.6 43.5 12.6 123 170 A L G < S+ 0 0 6 -3,-2.6 2,-0.8 50,-0.2 -1,-0.2 0.566 75.9 92.0 -88.4 -11.4 55.1 40.7 13.4 124 171 A I S < S- 0 0 14 -3,-1.4 50,-0.1 -4,-0.3 5,-0.0 -0.778 74.9-139.3 -85.1 114.2 57.6 42.9 15.3 125 172 A Q >> - 0 0 73 -2,-0.8 3,-1.2 1,-0.1 4,-0.8 -0.309 19.2-109.0 -76.7 155.0 56.7 42.7 18.9 126 173 A S G >4 S+ 0 0 59 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.890 116.3 57.9 -45.8 -50.2 56.7 45.7 21.3 127 174 A S G >4 S+ 0 0 85 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.802 95.7 64.3 -55.6 -34.1 59.8 44.4 23.2 128 175 A S G X4 S+ 0 0 43 -3,-1.2 3,-1.3 1,-0.3 -1,-0.3 0.820 93.8 60.4 -62.0 -31.4 61.9 44.4 20.0 129 176 A Y G << S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.647 97.0 65.6 -70.3 -11.7 61.6 48.1 19.7 130 177 A L G < S+ 0 0 123 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.351 86.6 96.3 -92.6 1.0 63.3 48.3 23.1 131 178 A G S X S- 0 0 24 -3,-1.3 3,-1.9 -4,-0.1 -3,-0.0 -0.266 86.7 -81.2-115.1-162.2 66.8 47.0 22.2 132 179 A D G > S+ 0 0 144 1,-0.4 3,-1.7 2,-0.3 4,-0.3 0.671 115.2 54.9-108.9 -32.6 69.9 47.9 21.4 133 180 A E G 3 S+ 0 0 50 1,-0.3 -1,-0.4 2,-0.1 3,-0.2 0.692 116.1 44.0 -64.4 -21.5 69.8 48.6 17.6 134 181 A F G < S+ 0 0 3 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.3 0.279 97.0 89.5-100.7 11.7 67.0 51.1 18.3 135 182 A S < + 0 0 45 -3,-1.7 2,-0.7 2,-0.1 -2,-0.1 0.574 55.6 87.5 -92.1 -18.9 68.8 52.5 21.4 136 183 A V S > S- 0 0 96 -4,-0.3 3,-1.6 -3,-0.2 6,-0.4 -0.772 75.1-128.5 -93.4 109.2 71.1 55.4 20.3 137 184 A N T 3 S+ 0 0 127 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.099 89.7 32.1 -56.7 152.4 69.2 58.8 20.2 138 185 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.1 2,-0.0 0.113 93.0 120.4 86.6 -22.0 69.4 60.9 17.1 139 186 A T S <> S- 0 0 55 -3,-1.6 4,-2.1 1,-0.1 -1,-0.3 -0.278 73.6-121.4 -78.5 161.0 69.6 57.8 14.8 140 187 A I H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.888 114.7 51.1 -64.7 -39.3 67.2 56.9 12.1 141 188 A K H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 108.8 50.8 -68.7 -36.8 66.5 53.6 13.8 142 189 A R H > S+ 0 0 62 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.925 110.7 48.9 -64.1 -44.2 65.7 55.3 17.1 143 190 A N H X S+ 0 0 98 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.881 111.5 50.3 -64.6 -41.2 63.4 57.7 15.4 144 191 A F H X S+ 0 0 63 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.934 111.1 47.8 -55.3 -53.5 61.7 54.7 13.7 145 192 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.895 111.2 50.7 -57.6 -44.6 61.3 52.8 16.9 146 193 A R H X S+ 0 0 115 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.916 111.5 48.4 -60.4 -44.3 59.9 55.9 18.7 147 194 A X H X S+ 0 0 97 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.930 113.6 46.4 -60.5 -50.2 57.3 56.4 15.8 148 195 A X H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.908 110.6 51.7 -61.2 -46.2 56.2 52.8 15.9 149 196 A I H X S+ 0 0 60 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.940 113.8 45.3 -54.4 -46.0 55.9 52.6 19.7 150 197 A G H X S+ 0 0 33 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.931 114.0 49.0 -64.6 -49.4 53.7 55.8 19.6 151 198 A D H X S+ 0 0 42 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.907 111.1 47.9 -57.9 -47.8 51.6 54.5 16.6 152 199 A W H X S+ 0 0 3 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.882 109.4 54.2 -65.6 -37.5 50.9 51.0 18.1 153 200 A S H X S+ 0 0 63 -4,-1.9 4,-1.5 -5,-0.3 5,-0.3 0.926 111.7 44.8 -57.7 -46.5 49.9 52.6 21.4 154 201 A I H X S+ 0 0 36 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.957 114.8 48.8 -60.4 -51.0 47.4 54.8 19.6 155 202 A A H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.796 116.1 43.3 -58.5 -34.4 46.1 51.8 17.5 156 203 A K H < S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.724 125.5 28.8 -86.1 -24.2 45.7 49.6 20.6 157 204 A T H < S+ 0 0 76 -4,-1.5 3,-0.3 -3,-0.4 -3,-0.2 0.800 103.7 67.5-111.4 -38.1 44.1 52.2 22.9 158 205 A R S < S+ 0 0 127 -4,-2.3 3,-0.1 -5,-0.3 -60,-0.0 -0.465 103.0 13.9 -84.9 160.7 42.0 54.8 21.0 159 206 A N S S- 0 0 44 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.905 97.7-122.3 43.0 60.0 38.8 54.2 19.1 160 207 A A - 0 0 91 -3,-0.3 -47,-0.4 1,-0.1 2,-0.4 0.099 31.4-167.0 -39.9 132.3 38.4 50.7 20.7 161 208 A S - 0 0 6 -5,-0.2 -47,-0.2 -6,-0.2 -1,-0.1 -0.968 11.5-154.2-128.1 141.1 38.2 47.8 18.2 162 209 A D + 0 0 72 -49,-1.6 19,-2.2 -2,-0.4 2,-0.3 0.440 69.2 31.6-105.6 -5.5 37.1 44.4 19.3 163 210 A E E -de 114 181B 24 -50,-0.5 -48,-2.7 17,-0.3 2,-0.4 -0.988 55.2-160.6-150.1 146.0 38.7 42.0 16.8 164 211 A H E -de 115 182B 0 17,-3.0 19,-2.5 -2,-0.3 2,-0.5 -0.992 12.0-148.5-130.5 125.5 41.9 41.8 14.7 165 212 A Y E -de 116 183B 47 -50,-2.8 -48,-1.9 -2,-0.4 2,-0.4 -0.819 15.7-169.7 -90.1 124.5 42.3 39.6 11.7 166 213 A T E - e 0 184B 12 17,-2.5 19,-3.2 -2,-0.5 -2,-0.0 -0.906 20.8-160.3-112.3 142.7 45.9 38.3 11.1 167 214 A I S S+ 0 0 48 -2,-0.4 2,-0.7 17,-0.2 20,-0.3 0.379 71.3 90.7 -93.1 0.2 47.0 36.5 7.9 168 215 A F > - 0 0 10 3,-0.1 3,-0.6 18,-0.1 2,-0.4 -0.883 64.9-153.5-107.5 114.6 50.1 35.0 9.7 169 216 A K T 3 S+ 0 0 132 -2,-0.7 3,-0.1 1,-0.2 -2,-0.0 -0.713 75.4 3.5 -83.6 128.1 49.6 31.6 11.4 170 217 A G T 3 S+ 0 0 77 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.650 99.2 105.4 80.1 14.8 51.9 30.9 14.3 171 218 A L S < S- 0 0 15 -3,-0.6 -1,-0.2 142,-0.0 -3,-0.1 -0.995 75.9-111.5-123.6 135.6 53.8 34.2 14.7 172 219 A K - 0 0 105 -2,-0.4 2,-0.4 -49,-0.1 -47,-0.0 -0.373 30.3-137.0 -69.8 144.9 52.8 36.5 17.5 173 220 A N > - 0 0 6 1,-0.1 3,-1.7 -2,-0.1 -50,-0.2 -0.851 13.2-134.8-105.2 140.2 51.1 39.7 16.6 174 221 A I T 3 S+ 0 0 7 -52,-2.7 -1,-0.1 -2,-0.4 -48,-0.1 0.797 109.3 56.8 -55.1 -29.9 51.8 43.2 18.0 175 222 A X T 3 S+ 0 0 0 -53,-0.2 2,-1.9 1,-0.1 4,-0.3 0.511 77.2 99.1 -83.2 -8.0 47.9 43.6 18.3 176 223 A D < + 0 0 65 -3,-1.7 -1,-0.1 1,-0.2 5,-0.1 -0.606 41.0 133.1 -83.7 84.2 47.5 40.5 20.4 177 224 A D S S- 0 0 37 -2,-1.9 -1,-0.2 3,-0.1 -2,-0.1 0.206 79.1-103.8-123.4 11.1 47.3 42.5 23.6 178 225 A G S S+ 0 0 70 2,-0.3 -2,-0.1 -3,-0.1 3,-0.1 0.473 101.5 97.8 79.0 4.3 44.3 40.8 25.2 179 226 A R S S+ 0 0 135 -4,-0.3 2,-0.3 1,-0.1 -18,-0.1 0.297 87.4 25.9-103.6 9.7 42.0 43.8 24.3 180 227 A R S S- 0 0 22 -5,-0.1 2,-0.5 -20,-0.0 -2,-0.3 -0.960 89.2 -92.0-162.7 159.3 40.5 42.2 21.2 181 228 A K E -e 163 0B 119 -19,-2.2 -17,-3.0 -2,-0.3 2,-0.4 -0.728 36.5-141.8 -80.2 124.9 39.8 38.8 19.7 182 229 A X E -e 164 0B 47 -2,-0.5 2,-0.5 -19,-0.2 -17,-0.2 -0.781 21.3-172.6 -84.7 129.7 42.6 37.6 17.4 183 230 A T E -e 165 0B 24 -19,-2.5 -17,-2.5 -2,-0.4 2,-0.4 -0.982 19.3-137.8-129.5 124.2 41.3 35.8 14.4 184 231 A Y E -e 166 0B 94 -2,-0.5 -17,-0.2 -19,-0.2 -19,-0.1 -0.644 18.0-168.6 -76.3 129.0 43.4 33.9 11.9 185 232 A L - 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