==== 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 LYASE 29-JUN-06 2HJ0 . COMPND 2 MOLECULE: PUTATIVE CITRATE LYASE, ALFA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR F.FOROUHAR,M.HUSSAIN,S.JAYARAMAN,R.SHASTRY,H.JANJUA,K.CUNNIN . 1020 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 63 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 2 6 4 2 6 2 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 14 10 6 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 PARALLEL BRIDGES PER LADDER . 10 8 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 4 2 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 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 3 A E 0 0 182 0, 0.0 6,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-172.3 -14.0 56.8 -13.8 2 4 A N - 0 0 38 4,-0.8 17,-0.1 2,-0.4 4,-0.1 -0.169 360.0 -51.9-106.7-160.0 -14.8 59.4 -11.2 3 5 A K S S+ 0 0 94 15,-0.2 500,-0.0 -2,-0.1 16,-0.0 0.927 120.7 29.5 -40.8 -77.0 -13.2 60.6 -7.9 4 6 A L S S- 0 0 33 499,-0.1 2,-2.0 1,-0.1 -2,-0.4 -0.163 109.2 -81.8 -78.8 178.3 -12.7 57.2 -6.1 5 7 A G S S+ 0 0 40 -4,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.245 82.5 140.1 -79.1 51.9 -12.2 53.9 -7.9 6 8 A R - 0 0 16 -2,-2.0 2,-1.0 -4,-0.1 -4,-0.8 -0.786 50.7-145.3-101.2 139.2 -15.9 53.5 -8.5 7 9 A D + 0 0 90 -2,-0.4 -2,-0.1 -6,-0.1 497,-0.1 -0.574 33.1 163.8-100.6 70.1 -17.5 52.2 -11.7 8 10 A I - 0 0 15 -2,-1.0 -2,-0.1 495,-0.1 5,-0.1 -0.797 39.3-121.7 -91.9 115.7 -20.6 54.3 -11.8 9 11 A P >> - 0 0 36 0, 0.0 4,-2.8 0, 0.0 3,-1.7 -0.236 16.9-120.4 -56.4 139.1 -22.1 54.2 -15.4 10 12 A R H 3> S+ 0 0 205 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.761 109.7 71.1 -51.1 -29.2 -22.5 57.5 -17.2 11 13 A K H 3> S+ 0 0 140 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.907 114.9 23.4 -55.8 -42.6 -26.2 56.9 -17.3 12 14 A Y H <> S+ 0 0 29 -3,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.801 117.0 62.4 -93.3 -34.7 -26.4 57.5 -13.6 13 15 A A H < S+ 0 0 6 -4,-2.8 5,-0.3 1,-0.2 -3,-0.2 0.786 114.1 38.6 -61.4 -25.9 -23.3 59.6 -13.2 14 16 A N H < S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.815 113.5 54.1 -91.5 -37.4 -25.0 62.1 -15.5 15 17 A Q H < S+ 0 0 135 -4,-0.9 -2,-0.2 -5,-0.3 2,-0.2 0.956 122.0 26.4 -60.2 -52.5 -28.5 61.6 -14.1 16 18 A Y S < S- 0 0 53 -4,-3.1 2,-0.3 1,-0.1 485,-0.2 -0.538 111.9 -74.1-103.8 171.8 -27.2 62.4 -10.5 17 19 A G - 0 0 33 483,-0.5 485,-2.8 -2,-0.2 2,-1.2 -0.518 46.3-137.3 -68.3 129.9 -24.2 64.5 -9.5 18 20 A V B +a 502 0A 69 -5,-0.3 2,-0.3 -2,-0.3 -15,-0.2 -0.676 67.4 51.5 -95.6 86.8 -21.1 62.4 -10.3 19 21 A F 0 0 53 -2,-1.2 478,-0.2 483,-1.0 4,-0.1 -0.965 360.0 360.0 174.7-174.9 -18.8 62.8 -7.3 20 22 A E 0 0 4 -2,-0.3 3,-0.2 2,-0.2 483,-0.1 0.287 360.0 360.0 179.0 360.0 -18.6 62.6 -3.5 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 24 A E 0 0 143 0, 0.0 -2,-0.2 0, 0.0 -19,-0.1 0.000 360.0 360.0 360.0 132.9 -14.6 65.1 -2.4 23 25 A L - 0 0 40 -3,-0.2 2,-0.1 1,-0.1 -3,-0.1 -0.209 360.0-158.6 -57.6 149.0 -17.4 67.1 -0.7 24 26 A A - 0 0 57 1,-0.2 2,-0.2 -4,-0.1 -1,-0.1 -0.241 21.3 -75.5-113.0-158.9 -18.6 70.3 -2.5 25 27 A H - 0 0 161 -2,-0.1 2,-0.3 527,-0.0 -1,-0.2 -0.514 32.6-140.0-102.5 170.7 -20.4 73.5 -1.6 26 28 A I - 0 0 53 -2,-0.2 2,-0.3 524,-0.1 526,-0.1 -0.983 15.2-171.7-134.5 143.3 -24.1 74.3 -0.7 27 29 A K - 0 0 143 -2,-0.3 521,-0.1 1,-0.1 524,-0.1 -0.871 37.2 -67.9-132.0 166.6 -26.4 77.2 -1.7 28 30 A S - 0 0 41 -2,-0.3 2,-0.3 521,-0.1 521,-0.2 -0.096 52.1-178.2 -52.4 145.9 -29.8 78.6 -0.8 29 31 A Y E -E 548 0B 31 519,-2.2 519,-1.8 327,-0.0 2,-0.8 -0.956 33.5-104.5-145.1 161.8 -32.9 76.7 -1.9 30 32 A K E -E 547 0B 100 -2,-0.3 517,-0.2 517,-0.2 3,-0.1 -0.812 42.3-128.6 -92.0 111.5 -36.7 76.8 -1.8 31 33 A E - 0 0 16 515,-2.6 124,-0.2 -2,-0.8 123,-0.1 -0.165 32.7 -93.0 -56.2 151.8 -37.9 74.5 0.9 32 34 A S - 0 0 6 122,-2.1 2,-0.4 121,-0.1 514,-0.2 -0.376 39.5-156.9 -67.0 143.5 -40.6 72.0 -0.1 33 35 A S - 0 0 11 512,-0.1 2,-0.2 -3,-0.1 512,-0.1 -0.946 9.2-136.0-122.5 148.8 -44.2 73.1 0.5 34 36 A R - 0 0 16 -2,-0.4 509,-2.1 510,-0.2 2,-1.0 -0.613 17.6-113.1-105.1 162.3 -47.2 70.8 0.8 35 37 A Q E -F 542 0C 83 507,-0.2 2,-0.3 -2,-0.2 507,-0.2 -0.809 40.3-158.5 -95.7 95.0 -50.7 70.7 -0.6 36 38 A V E -F 541 0C 3 505,-1.6 505,-1.9 -2,-1.0 164,-0.1 -0.541 12.3-152.3 -79.3 135.6 -52.9 71.2 2.5 37 39 A K - 0 0 60 162,-0.3 503,-0.1 -2,-0.3 832,-0.0 -0.893 24.2-133.9-108.7 101.6 -56.6 70.2 2.7 38 40 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 832,-0.2 -0.160 16.4-130.1 -53.0 144.0 -58.3 72.6 5.2 39 41 A V - 0 0 17 830,-2.5 830,-0.3 500,-0.1 832,-0.1 -0.864 13.1-129.6-103.8 130.3 -60.6 70.8 7.6 40 42 A K > - 0 0 97 -2,-0.5 3,-2.8 1,-0.1 828,-0.0 -0.498 28.3-112.5 -72.7 146.5 -64.1 72.1 8.2 41 43 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.689 119.0 46.2 -52.9 -20.3 -65.0 72.6 11.9 42 44 A S T 3 S+ 0 0 106 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.359 86.3 120.0-104.6 3.9 -67.4 69.8 11.6 43 45 A D < - 0 0 66 -3,-2.8 2,-0.6 1,-0.0 -4,-0.0 -0.481 56.6-140.8 -73.7 139.8 -65.1 67.4 9.8 44 46 A D - 0 0 113 -2,-0.2 129,-0.1 1,-0.1 -2,-0.1 -0.873 13.8-172.5 -99.6 123.4 -64.3 64.1 11.5 45 47 A K + 0 0 5 -2,-0.6 181,-2.5 127,-0.5 2,-0.3 0.585 57.9 96.3 -91.4 -8.9 -60.6 63.0 11.0 46 48 A L E -g 226 0D 53 126,-0.3 2,-0.2 179,-0.2 181,-0.2 -0.631 56.8-167.8 -83.7 136.6 -61.0 59.6 12.5 47 49 A L E -g 227 0D 13 179,-3.4 181,-0.7 -2,-0.3 3,-0.1 -0.738 25.6-127.1-118.5 169.0 -61.6 56.7 10.1 48 50 A S S S- 0 0 88 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.858 80.0 -1.9 -86.7 -36.3 -62.7 53.1 10.5 49 51 A S > - 0 0 42 1,-0.1 4,-1.4 178,-0.1 -1,-0.2 -0.920 69.2-100.9-148.6 173.2 -60.0 51.2 8.7 50 52 A I H > S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.875 119.0 62.3 -64.8 -33.9 -56.8 51.4 6.7 51 53 A H H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.962 104.3 43.2 -54.5 -59.5 -59.0 50.8 3.6 52 54 A E H > S+ 0 0 58 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.802 110.8 58.6 -58.3 -29.7 -61.1 54.0 4.1 53 55 A A H X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.963 107.6 44.1 -64.5 -49.6 -57.9 55.8 4.8 54 56 A I H <>S+ 0 0 2 -4,-2.4 5,-1.3 -3,-0.2 4,-0.4 0.884 118.4 48.5 -60.5 -37.4 -56.5 54.8 1.4 55 57 A E H ><5S+ 0 0 111 -4,-2.3 3,-2.7 -5,-0.2 -2,-0.2 0.996 112.2 42.1 -67.1 -67.4 -59.8 55.7 -0.1 56 58 A K H 3<5S+ 0 0 78 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.580 108.9 64.1 -60.6 -5.0 -60.5 59.1 1.4 57 59 A T T 3<5S- 0 0 3 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.597 102.0-133.4 -94.1 -11.6 -56.8 59.9 0.8 58 60 A R T < 5 - 0 0 156 -3,-2.7 -3,-0.2 -4,-0.4 -2,-0.1 0.713 34.4-178.5 67.8 23.5 -57.3 59.6 -3.0 59 61 A L < + 0 0 12 -5,-1.3 2,-0.2 -4,-0.1 -1,-0.2 -0.294 4.9 177.8 -56.5 129.4 -54.2 57.5 -3.5 60 62 A K > - 0 0 126 1,-0.1 3,-1.3 30,-0.1 30,-0.1 -0.725 36.4 -67.2-127.4 178.0 -53.7 56.7 -7.1 61 63 A D T 3 S+ 0 0 94 -2,-0.2 31,-0.2 1,-0.2 32,-0.2 -0.359 115.3 24.1 -66.4 146.0 -51.2 54.8 -9.3 62 64 A G T 3 S+ 0 0 40 29,-0.9 -1,-0.2 30,-0.7 31,-0.1 0.310 91.1 129.4 84.1 -9.1 -47.7 56.4 -9.5 63 65 A X < - 0 0 45 -3,-1.3 31,-3.1 1,-0.1 2,-0.4 -0.232 56.0-120.4 -75.3 167.0 -48.0 58.3 -6.2 64 66 A T E -h 94 0D 25 95,-0.2 97,-2.4 29,-0.2 98,-1.6 -0.928 28.1-178.4-113.8 134.1 -45.4 58.2 -3.5 65 67 A I E -hi 95 162D 0 29,-2.7 31,-2.2 -2,-0.4 2,-0.3 -0.888 7.7-154.8-126.0 157.9 -46.1 57.0 0.1 66 68 A S E +hi 96 163D 0 96,-1.6 98,-2.3 -2,-0.3 2,-0.3 -0.873 11.4 179.6-132.6 166.0 -43.9 56.9 3.2 67 69 A F E -h 97 0D 3 29,-0.6 31,-2.5 -2,-0.3 2,-0.3 -0.945 21.9-126.6-154.1 163.1 -43.5 55.0 6.5 68 70 A H - 0 0 5 96,-0.3 3,-0.2 -2,-0.3 10,-0.2 -0.761 6.3-142.1-115.7 165.4 -41.1 55.1 9.4 69 71 A H > + 0 0 17 -2,-0.3 3,-1.6 1,-0.1 6,-0.1 0.017 59.5 120.3-115.6 30.3 -39.1 52.3 11.1 70 72 A H T 3 S+ 0 0 3 1,-0.3 -1,-0.1 96,-0.1 258,-0.1 0.743 78.9 52.8 -66.7 -19.6 -39.2 53.1 14.8 71 73 A F T > S- 0 0 6 1,-0.2 3,-2.6 -3,-0.2 -1,-0.3 0.481 90.0-175.2 -90.6 -4.0 -41.0 49.8 15.5 72 74 A R G X - 0 0 82 -3,-1.6 3,-2.2 1,-0.3 -1,-0.2 -0.116 66.3 -0.9 45.8-131.6 -38.2 48.0 13.7 73 75 A E G 3 S+ 0 0 88 1,-0.3 -1,-0.3 164,-0.1 164,-0.1 0.532 132.5 62.7 -65.1 -5.6 -38.8 44.2 13.4 74 76 A G G < S+ 0 0 5 -3,-2.6 160,-2.1 163,-0.2 -1,-0.3 0.395 76.0 130.2 -99.2 3.8 -42.0 44.7 15.3 75 77 A D B < +M 233 0E 2 -3,-2.2 158,-0.2 158,-0.2 4,-0.1 -0.266 23.1 165.2 -63.4 141.1 -43.6 46.9 12.7 76 78 A Y > + 0 0 68 156,-1.8 4,-1.7 2,-0.1 157,-0.2 0.565 63.2 75.8-123.3 -25.6 -47.1 46.1 11.4 77 79 A V H > S+ 0 0 3 155,-0.8 4,-2.7 2,-0.2 5,-0.3 0.902 92.5 51.9 -57.5 -49.8 -48.0 49.4 9.7 78 80 A X H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.967 115.0 39.2 -52.8 -63.6 -45.9 48.9 6.5 79 81 A N H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.803 116.2 56.6 -58.1 -31.0 -47.2 45.4 5.6 80 82 A X H X S+ 0 0 55 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.989 112.1 35.8 -65.2 -62.6 -50.7 46.5 6.7 81 83 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.965 118.2 50.4 -56.5 -59.1 -51.1 49.5 4.4 82 84 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.895 108.3 53.0 -47.0 -50.2 -49.2 48.0 1.4 83 85 A D H X S+ 0 0 63 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.3 0.907 109.9 47.8 -56.6 -42.3 -51.3 44.9 1.5 84 86 A E H X S+ 0 0 51 -4,-1.8 4,-1.7 -3,-0.4 -1,-0.3 0.850 109.4 54.2 -68.0 -32.5 -54.5 46.8 1.4 85 87 A I H <>S+ 0 0 2 -4,-2.2 5,-2.1 2,-0.2 -2,-0.2 0.945 110.7 46.1 -64.8 -45.9 -53.1 48.9 -1.4 86 88 A A H ><5S+ 0 0 25 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.960 110.2 52.7 -60.4 -50.5 -52.4 45.6 -3.3 87 89 A K H 3<5S+ 0 0 148 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.2 56.7 -54.1 -34.5 -55.9 44.2 -2.5 88 90 A X T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.298 117.2-113.9 -83.1 10.9 -57.4 47.4 -3.9 89 91 A G T < 5 + 0 0 57 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.688 65.3 148.3 67.9 17.9 -55.7 46.9 -7.2 90 92 A I < + 0 0 18 -5,-2.1 2,-0.2 -6,-0.2 -1,-0.2 -0.706 20.2 168.7 -87.4 138.2 -53.5 50.0 -6.9 91 93 A K + 0 0 99 -2,-0.4 -29,-0.9 1,-0.1 24,-0.2 -0.832 42.1 52.0-140.3 177.9 -50.1 49.7 -8.5 92 94 A D S S+ 0 0 81 22,-2.5 -30,-0.7 -2,-0.2 2,-0.3 0.874 71.1 167.2 59.5 40.1 -46.9 51.5 -9.6 93 95 A I E - j 0 116D 2 22,-2.5 24,-2.2 21,-0.3 25,-1.0 -0.664 33.5-136.0 -88.6 140.2 -46.6 52.9 -6.1 94 96 A S E -hj 64 118D 28 -31,-3.1 -29,-2.7 -2,-0.3 2,-0.4 -0.864 19.1-150.5 -98.8 119.1 -43.4 54.6 -5.0 95 97 A I E +hj 65 119D 1 23,-3.2 25,-1.1 -2,-0.6 -29,-0.2 -0.721 20.2 175.1 -94.6 133.1 -42.3 53.6 -1.6 96 98 A A E +h 66 0D 1 -31,-2.2 -29,-0.6 -2,-0.4 2,-0.1 -0.382 13.7 165.2-133.1 58.7 -40.3 56.0 0.7 97 99 A P E -h 67 0D 1 0, 0.0 -29,-0.2 0, 0.0 25,-0.2 -0.480 46.6-124.5 -74.7 145.1 -39.8 54.3 4.1 98 100 A S S S- 0 0 1 -31,-2.5 24,-1.1 1,-0.2 2,-0.3 0.830 91.0 -21.5 -57.4 -30.3 -37.2 55.7 6.5 99 101 A S - 0 0 5 22,-0.2 2,-0.4 -32,-0.2 -1,-0.2 -0.949 65.1-121.5-172.2 160.1 -35.8 52.1 6.5 100 102 A I - 0 0 2 23,-1.3 2,-0.1 -2,-0.3 29,-0.1 -0.941 22.1-167.0-118.6 129.7 -36.8 48.5 5.8 101 103 A A > - 0 0 7 -2,-0.4 3,-0.9 -29,-0.2 27,-0.2 -0.457 37.1-101.8-103.6 178.6 -36.6 45.6 8.2 102 104 A N G > S+ 0 0 32 1,-0.2 3,-1.3 -2,-0.1 -1,-0.1 0.806 116.4 66.1 -70.1 -30.8 -36.9 41.8 7.8 103 105 A V G 3 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.1 -30,-0.1 0.678 86.1 76.3 -65.8 -12.7 -40.5 41.6 9.0 104 106 A H G X + 0 0 1 -3,-0.9 3,-2.0 1,-0.2 4,-0.3 0.129 57.3 122.3 -83.5 21.7 -41.2 43.6 5.8 105 107 A E T X + 0 0 104 -3,-1.3 3,-2.3 1,-0.3 4,-0.4 0.852 56.9 72.9 -52.4 -40.8 -40.8 40.4 3.7 106 108 A P T 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.751 81.5 76.2 -47.5 -24.4 -44.3 40.8 2.2 107 109 A L H <> S+ 0 0 1 -3,-2.0 4,-1.5 1,-0.2 5,-0.2 0.880 80.8 68.4 -55.4 -41.2 -42.8 43.6 0.2 108 110 A I H X> S+ 0 0 27 -3,-2.3 4,-2.3 -4,-0.3 3,-0.8 0.913 100.9 44.6 -47.7 -53.5 -41.1 41.1 -2.1 109 111 A D H 3> S+ 0 0 97 -4,-0.4 4,-2.3 -3,-0.4 6,-0.3 0.886 108.6 57.2 -60.5 -39.1 -44.4 39.9 -3.6 110 112 A H H 3<>S+ 0 0 14 -4,-1.3 5,-1.9 1,-0.2 6,-1.8 0.781 108.8 48.6 -62.4 -25.0 -45.7 43.4 -4.0 111 113 A I H X<5S+ 0 0 10 -4,-1.5 3,-2.0 -3,-0.8 -2,-0.2 0.937 109.2 49.9 -77.9 -51.2 -42.6 44.1 -6.0 112 114 A K H 3<5S+ 0 0 120 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.847 113.0 48.3 -55.8 -35.8 -43.0 41.1 -8.3 113 115 A N T 3<5S- 0 0 96 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.253 117.0-111.7 -90.7 10.9 -46.6 42.0 -8.9 114 116 A G T < 5S+ 0 0 24 -3,-2.0 -22,-2.5 2,-0.2 -21,-0.3 0.561 82.9 123.1 73.1 8.9 -45.9 45.6 -9.7 115 117 A V S > - 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