==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-AUG-07 2R2A . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR J.OSIPIUK,S.PATTERSON,R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CEN . 382 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.4 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 5 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 2 0 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 0 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 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 1 A X 0 0 188 0, 0.0 116,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 177.6 26.5 25.9 45.8 2 2 A A + 0 0 4 115,-0.2 2,-0.3 114,-0.1 120,-0.2 -0.071 360.0 178.3 -58.5 146.8 26.2 22.4 47.3 3 3 A E - 0 0 51 117,-0.1 120,-2.4 113,-0.1 2,-0.5 -0.920 30.2-115.6-142.7 170.7 28.8 21.3 49.9 4 4 A I E -ab 123 141A 0 136,-0.5 138,-2.5 -2,-0.3 139,-1.0 -0.968 29.9-168.1-109.9 124.4 29.6 18.3 52.2 5 5 A C E -ab 124 143A 2 118,-2.4 120,-2.7 -2,-0.5 2,-0.4 -0.937 5.3-155.0-116.0 132.3 29.5 19.0 55.9 6 6 A L E -ab 125 144A 0 137,-3.0 139,-3.2 -2,-0.4 2,-0.5 -0.892 7.3-171.9-108.5 132.9 30.9 16.7 58.6 7 7 A I E +ab 126 145A 1 118,-2.7 120,-2.1 -2,-0.4 2,-0.3 -0.986 14.5 173.8-123.0 125.7 29.6 16.6 62.2 8 8 A T E +ab 127 146A 0 137,-2.6 139,-2.3 -2,-0.5 120,-0.2 -0.821 14.5 117.7-130.2 166.1 31.5 14.4 64.7 9 9 A G - 0 0 0 118,-0.6 139,-0.1 119,-0.3 3,-0.1 -0.705 60.7 -69.4 149.0 156.0 31.5 13.8 68.4 10 10 A T > - 0 0 94 137,-0.4 3,-2.1 -2,-0.2 5,-0.3 -0.237 67.6 -76.0 -66.0 160.3 31.0 10.9 70.9 11 11 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 117,-0.0 -0.367 122.3 22.6 -55.5 136.6 27.5 9.3 71.4 12 12 A G T 3 S+ 0 0 79 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.394 87.6 113.6 83.3 0.0 25.3 11.6 73.5 13 13 A S S < S- 0 0 8 -3,-2.1 -3,-0.1 134,-0.1 -5,-0.0 0.667 92.3-105.0 -73.9 -18.7 27.4 14.7 72.7 14 14 A G S > S+ 0 0 12 -4,-0.2 4,-2.2 -5,-0.1 5,-0.2 0.753 71.1 142.7 102.4 33.0 24.3 16.2 70.8 15 15 A K H > S+ 0 0 15 -5,-0.3 4,-2.4 2,-0.2 5,-0.1 0.934 75.9 46.9 -69.1 -46.8 25.2 15.8 67.1 16 16 A T H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 112.6 49.1 -64.6 -43.1 21.6 14.9 66.1 17 17 A L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 165,-0.3 0.904 110.9 50.8 -64.8 -38.3 20.0 17.8 68.0 18 18 A K H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.934 110.7 50.0 -59.4 -45.2 22.6 20.2 66.5 19 19 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.949 112.3 45.8 -56.7 -51.7 21.6 18.9 63.0 20 20 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.897 109.4 56.4 -59.3 -39.7 17.9 19.3 63.7 21 21 A S H X S+ 0 0 7 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.902 108.4 48.1 -57.3 -41.9 18.6 22.8 65.1 22 22 A X H >X S+ 0 0 6 -4,-2.2 4,-3.3 1,-0.2 3,-0.9 0.917 108.7 52.2 -64.6 -44.8 20.3 23.6 61.7 23 23 A X H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 109.5 52.0 -59.9 -31.3 17.4 22.3 59.8 24 24 A A H 3< S+ 0 0 37 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.686 127.8 16.6 -77.8 -18.5 15.1 24.6 61.9 25 25 A N H << S+ 0 0 77 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.715 92.7 101.9-125.6 -33.1 17.2 27.7 61.2 26 26 A D >< - 0 0 53 -4,-3.3 3,-1.5 -5,-0.2 4,-0.3 -0.306 69.0-122.9 -76.2 145.0 19.5 27.5 58.3 27 27 A E G > S+ 0 0 150 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.809 104.1 64.6 -49.9 -40.3 18.8 29.1 54.9 28 28 A X G 3 S+ 0 0 54 1,-0.3 10,-0.4 9,-0.1 -1,-0.3 0.750 102.0 50.5 -64.5 -19.6 19.1 25.9 52.8 29 29 A F G < S+ 0 0 18 -3,-1.5 -1,-0.3 -7,-0.2 -2,-0.2 0.425 88.4 101.3 -94.2 -4.5 16.1 24.3 54.6 30 30 A K S < S- 0 0 88 -3,-1.7 8,-0.4 -4,-0.3 2,-0.1 -0.475 83.3 -95.1 -81.8 157.3 13.7 27.2 54.1 31 31 A P - 0 0 30 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 -0.384 41.4-125.2 -70.4 148.5 11.0 27.1 51.4 32 32 A D > - 0 0 73 4,-2.6 3,-1.8 -3,-0.1 5,-0.0 0.036 44.8 -70.8 -79.0-166.5 11.8 28.9 48.1 33 33 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 340,-0.0 0.570 135.2 49.6 -66.7 -12.9 9.9 31.6 46.4 34 34 A N T 3 S- 0 0 29 2,-0.2 340,-2.5 339,-0.0 -1,-0.3 0.176 122.5-101.2-108.6 8.7 7.1 29.1 45.5 35 35 A G S < S+ 0 0 6 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.585 79.3 137.4 81.6 12.9 6.7 27.6 49.0 36 36 A I - 0 0 27 336,-0.1 -4,-2.6 -6,-0.1 2,-0.3 -0.805 40.4-154.6-102.3 124.0 8.8 24.6 48.1 37 37 A R - 0 0 118 -2,-0.5 -8,-0.1 -6,-0.3 -7,-0.1 -0.674 33.8 -97.8 -86.5 149.1 11.4 23.2 50.5 38 38 A R - 0 0 73 -10,-0.4 48,-0.1 -8,-0.4 2,-0.1 -0.425 48.4-101.3 -63.5 138.5 14.4 21.1 49.1 39 39 A K - 0 0 83 45,-0.2 48,-2.8 43,-0.1 2,-0.4 -0.432 37.3-147.9 -63.0 136.3 13.7 17.4 49.5 40 40 A V E -c 87 0A 9 46,-0.2 12,-3.3 10,-0.2 2,-0.5 -0.943 11.0-167.1-112.1 124.9 15.5 15.8 52.5 41 41 A F E +cd 88 52A 0 46,-2.9 48,-2.8 -2,-0.4 2,-0.3 -0.956 27.1 148.4-105.9 129.9 16.8 12.2 52.5 42 42 A T E -cd 89 53A 0 10,-2.4 12,-1.9 -2,-0.5 48,-0.2 -0.992 50.8-148.4-156.3 161.9 17.8 10.9 55.8 43 43 A N + 0 0 20 46,-1.0 2,-0.3 -2,-0.3 47,-0.1 0.252 60.0 126.7-106.8 3.6 18.1 7.9 58.1 44 44 A I > - 0 0 4 45,-0.4 3,-0.6 1,-0.1 2,-0.2 -0.516 53.6-141.2 -68.2 125.7 17.5 9.9 61.3 45 45 A K T 3 S+ 0 0 146 -2,-0.3 145,-0.2 1,-0.2 3,-0.1 -0.605 77.6 25.3 -90.6 145.3 14.6 8.4 63.3 46 46 A G T 3 S+ 0 0 41 1,-0.3 144,-1.5 -2,-0.2 2,-0.5 0.524 79.8 147.5 84.7 7.3 12.0 10.4 65.1 47 47 A L B < -H 189 0B 11 -3,-0.6 -1,-0.3 142,-0.2 142,-0.2 -0.658 30.6-168.8 -79.4 123.3 12.5 13.4 62.8 48 48 A K + 0 0 100 140,-2.9 141,-0.2 -2,-0.5 -1,-0.1 0.687 58.4 97.9 -88.8 -22.2 9.2 15.3 62.4 49 49 A I S S- 0 0 30 139,-0.8 -2,-0.1 1,-0.1 139,-0.0 -0.518 94.1 -95.5 -65.7 129.7 10.3 17.5 59.5 50 50 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.209 66.1 143.4 -53.0 136.0 9.1 15.9 56.3 51 51 A H - 0 0 64 -4,-0.1 2,-0.5 -12,-0.1 -10,-0.2 -0.959 50.5-104.3-160.8 169.3 11.8 13.8 54.7 52 52 A T E -d 41 0A 46 -12,-3.3 -10,-2.4 -2,-0.3 2,-0.2 -0.960 37.8-124.7-106.8 127.4 12.4 10.6 52.7 53 53 A Y E -d 42 0A 84 -2,-0.5 16,-0.5 -12,-0.2 2,-0.4 -0.479 22.3-163.5 -69.2 134.2 13.8 7.7 54.7 54 54 A I E -i 69 0C 0 -12,-1.9 2,-0.5 -2,-0.2 16,-0.2 -0.983 16.3-131.6-118.2 134.8 17.0 6.0 53.4 55 55 A E E +i 70 0C 23 14,-2.5 16,-3.8 -2,-0.4 17,-0.5 -0.717 23.6 177.1 -84.0 121.3 18.2 2.6 54.5 56 56 A T + 0 0 12 -2,-0.5 2,-0.9 14,-0.2 -1,-0.1 0.542 54.6 93.1-101.0 -9.2 21.8 2.5 55.5 57 57 A D >> - 0 0 74 1,-0.2 4,-2.2 2,-0.0 3,-0.8 -0.769 61.7-159.1 -88.8 107.3 22.1 -1.2 56.7 58 58 A A T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 37,-0.3 5,-0.1 0.734 89.3 57.4 -63.2 -21.3 23.2 -3.0 53.6 59 59 A K T 34 S+ 0 0 198 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.864 109.2 46.1 -75.7 -31.9 22.0 -6.3 54.9 60 60 A K T <4 S- 0 0 152 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.931 139.3 -3.7 -74.0 -45.7 18.5 -4.9 55.2 61 61 A L < + 0 0 18 -4,-2.2 11,-0.4 1,-0.1 -1,-0.2 -0.755 60.4 170.7-149.8 99.2 18.4 -3.3 51.8 62 62 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.745 76.6 28.5 -81.5 -23.7 21.6 -3.4 49.6 63 63 A K S S- 0 0 160 9,-0.1 8,-0.1 -5,-0.1 2,-0.1 -0.950 85.6-111.7-130.3 152.8 19.8 -2.0 46.5 64 64 A S - 0 0 29 -2,-0.3 2,-0.2 6,-0.2 5,-0.2 -0.319 26.2-161.4 -75.5 162.9 16.8 0.4 46.1 65 65 A T - 0 0 66 3,-2.5 5,-0.1 -2,-0.1 -1,-0.0 -0.760 44.1 -92.3-128.4 176.9 13.5 -0.7 44.6 66 66 A D S S+ 0 0 186 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.650 128.8 42.0 -65.9 -11.9 10.7 1.4 43.1 67 67 A E S S+ 0 0 170 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.797 117.5 29.5-101.7 -42.0 9.3 1.3 46.8 68 68 A Q - 0 0 100 -5,-0.1 -3,-2.5 -14,-0.0 2,-0.4 -0.970 67.6-135.0-129.4 145.4 12.3 1.8 49.2 69 69 A L E -i 54 0C 28 -16,-0.5 -14,-2.5 -2,-0.4 2,-0.4 -0.797 10.6-157.2-100.6 134.0 15.6 3.6 48.9 70 70 A S E > -i 55 0C 0 -2,-0.4 3,-0.7 -16,-0.2 -14,-0.2 -0.852 18.7-139.9 -99.6 143.8 18.9 2.2 50.0 71 71 A A G > S+ 0 0 0 -16,-3.8 3,-1.2 -2,-0.4 4,-0.2 0.710 97.6 74.1 -67.6 -17.8 21.7 4.6 50.9 72 72 A H G 3 S+ 0 0 40 -17,-0.5 -1,-0.2 -11,-0.4 3,-0.2 0.706 99.8 36.1 -78.9 -22.0 23.9 2.1 49.1 73 73 A D G X> S+ 0 0 9 -3,-0.7 3,-1.9 1,-0.1 4,-1.2 -0.115 74.8 127.8-116.6 38.3 22.9 2.8 45.5 74 74 A X H <> + 0 0 0 -3,-1.2 4,-2.4 1,-0.3 5,-0.3 0.825 64.8 70.2 -56.7 -34.9 22.5 6.6 46.0 75 75 A Y H 34 S+ 0 0 51 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.757 104.6 42.8 -55.1 -25.3 24.8 7.0 43.0 76 76 A E H X4 S+ 0 0 115 -3,-1.9 3,-1.4 2,-0.1 4,-0.2 0.959 120.5 32.2 -84.0 -72.3 21.8 5.7 41.0 77 77 A W H >< S+ 0 0 7 -4,-1.2 3,-1.2 1,-0.2 6,-0.2 0.675 105.7 71.3 -64.4 -23.3 18.6 7.4 42.3 78 78 A I T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 8,-0.2 0.750 93.9 58.2 -63.8 -22.6 20.3 10.7 43.3 79 79 A K T < S+ 0 0 93 -3,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.529 81.8 107.4 -87.0 -6.8 20.7 11.6 39.5 80 80 A K S X S- 0 0 86 -3,-1.2 3,-3.4 -4,-0.2 4,-0.4 -0.602 80.7-115.2 -82.2 133.8 17.0 11.4 38.8 81 81 A P G > S+ 0 0 42 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.637 111.9 57.0 -34.6 -44.2 15.1 14.7 38.1 82 82 A E G 3 S+ 0 0 93 1,-0.2 -43,-0.1 262,-0.1 -4,-0.1 0.708 111.7 46.9 -66.7 -16.8 12.8 14.5 41.2 83 83 A N G X S+ 0 0 4 -3,-3.4 3,-1.2 -6,-0.2 -1,-0.2 0.446 79.8 118.3-106.0 -4.4 15.9 14.3 43.3 84 84 A I T < S+ 0 0 46 -3,-0.8 -45,-0.2 -4,-0.4 36,-0.2 -0.353 81.0 18.6 -63.7 143.2 18.2 17.1 41.9 85 85 A G T 3 S+ 0 0 26 34,-3.1 -1,-0.2 1,-0.2 35,-0.2 0.692 95.8 143.7 69.2 22.8 19.0 19.8 44.4 86 86 A S < - 0 0 1 -3,-1.2 36,-1.7 33,-0.4 2,-0.4 -0.305 48.6-122.9 -89.5 176.0 18.1 17.7 47.4 87 87 A I E -ce 40 122A 0 -48,-2.8 -46,-2.9 34,-0.2 2,-0.5 -0.971 19.2-161.5-121.2 132.7 19.7 17.4 50.8 88 88 A V E -ce 41 123A 0 34,-3.2 36,-2.6 -2,-0.4 2,-0.5 -0.953 6.7-175.8-120.2 128.7 21.1 14.2 52.2 89 89 A I E -ce 42 124A 0 -48,-2.8 -46,-1.0 -2,-0.5 2,-0.6 -0.982 5.5-171.6-124.9 117.8 21.7 13.7 56.0 90 90 A V E > - e 0 125A 0 34,-2.8 36,-2.5 -2,-0.5 3,-0.5 -0.931 8.3-155.7-117.7 112.8 23.3 10.4 56.9 91 91 A D T 3 S+ 0 0 37 -2,-0.6 4,-0.2 1,-0.2 36,-0.1 -0.668 83.4 11.3 -82.6 144.3 23.6 9.6 60.6 92 92 A E T > S- 0 0 42 -2,-0.3 3,-2.0 34,-0.3 -1,-0.2 0.965 82.1-174.6 50.7 57.0 26.4 7.1 61.6 93 93 A A G X> + 0 0 0 33,-2.7 4,-2.6 -3,-0.5 3,-1.9 0.548 65.9 82.9 -64.5 -15.8 27.7 7.6 58.0 94 94 A Q G 34 S+ 0 0 37 1,-0.3 -1,-0.3 32,-0.2 -2,-0.1 0.675 81.5 69.2 -61.9 -15.1 30.4 4.9 58.4 95 95 A D G <4 S+ 0 0 84 -3,-2.0 -37,-0.3 2,-0.2 -1,-0.3 0.687 114.0 24.4 -71.6 -20.5 27.6 2.5 57.5 96 96 A V T <4 S+ 0 0 11 -3,-1.9 -2,-0.2 -4,-0.1 -1,-0.1 0.763 137.6 25.2-110.2 -43.2 27.5 3.9 54.0 97 97 A W S < S+ 0 0 1 -4,-2.6 37,-2.2 37,-0.0 -2,-0.2 -0.619 78.5 173.2-129.2 65.1 31.0 5.3 53.4 98 98 A P B -J 133 0D 61 0, 0.0 35,-0.3 0, 0.0 34,-0.1 -0.316 45.6 -84.7 -70.1 159.3 33.4 3.5 55.7 99 99 A A - 0 0 49 33,-1.5 2,-0.3 35,-0.2 35,-0.2 -0.337 54.0-156.9 -52.5 142.7 37.2 3.9 55.6 100 100 A R - 0 0 118 33,-0.1 35,-0.2 -3,-0.1 3,-0.1 -0.861 23.7 -81.1-125.8 161.7 38.7 1.6 52.9 101 101 A S > - 0 0 96 -2,-0.3 3,-1.4 1,-0.1 2,-0.1 -0.284 59.2 -92.1 -56.7 146.1 42.2 -0.0 52.2 102 102 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.350 106.6 4.8 -59.3 132.2 44.7 2.2 50.5 103 103 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.675 91.8 142.0 66.0 19.3 44.7 1.9 46.7 104 104 A S < - 0 0 48 -3,-1.4 -1,-0.2 1,-0.1 -4,-0.0 -0.510 66.1 -77.5 -80.7 159.7 41.7 -0.4 46.6 105 105 A K - 0 0 137 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 -0.269 49.4-117.9 -55.8 142.4 39.1 0.1 43.8 106 106 A I - 0 0 56 -3,-0.1 -1,-0.1 1,-0.0 5,-0.1 -0.779 29.8-125.5 -90.9 119.7 36.8 3.0 44.4 107 107 A P >> - 0 0 35 0, 0.0 4,-2.5 0, 0.0 3,-1.4 -0.207 15.9-117.4 -65.2 155.9 33.1 1.9 44.7 108 108 A E H 3> S+ 0 0 102 1,-0.3 4,-1.2 2,-0.2 -35,-0.0 0.870 114.2 60.3 -58.4 -38.0 30.4 3.5 42.5 109 109 A N H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -35,-0.1 0.566 114.2 36.6 -71.1 -6.9 28.7 4.9 45.7 110 110 A V H X4 S+ 0 0 9 -3,-1.4 3,-1.9 2,-0.1 4,-0.5 0.741 104.7 68.1-103.7 -40.1 31.8 6.9 46.5 111 111 A Q H >< S+ 0 0 83 -4,-2.5 3,-0.6 1,-0.3 4,-0.2 0.779 96.6 55.7 -52.8 -35.7 32.9 7.8 42.9 112 112 A W G >< S+ 0 0 6 -4,-1.2 3,-1.5 1,-0.2 -1,-0.3 0.684 87.4 80.1 -73.1 -18.8 30.0 10.2 42.4 113 113 A L G X S+ 0 0 0 -3,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.854 82.5 60.5 -61.9 -38.0 30.6 12.2 45.5 114 114 A N G < S+ 0 0 107 -3,-0.6 -1,-0.3 -4,-0.5 3,-0.2 0.683 111.3 42.4 -70.3 -13.3 33.3 14.4 43.9 115 115 A T G X> S+ 0 0 42 -3,-1.5 3,-1.6 -4,-0.2 4,-0.7 0.060 75.9 120.0-112.7 24.2 30.7 15.5 41.4 116 116 A H T <4> + 0 0 12 -3,-2.1 5,-2.3 1,-0.3 -2,-0.1 0.710 66.6 66.0 -59.1 -25.7 27.9 16.0 43.9 117 117 A R T >45S+ 0 0 87 3,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.748 89.8 65.2 -67.7 -27.2 27.6 19.7 42.9 118 118 A H T <45S+ 0 0 147 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.945 108.1 39.2 -59.0 -48.9 26.5 18.8 39.4 119 119 A Q T 3<5S- 0 0 37 -4,-0.7 -34,-3.1 2,-0.1 -33,-0.4 0.382 113.4-126.4 -80.9 4.9 23.3 17.3 41.0 120 120 A G T < 5 + 0 0 23 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.768 51.8 163.8 56.2 32.3 23.3 20.3 43.4 121 121 A I < - 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