==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-APR-09 3H5J . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDRATASE SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.MANIKANDAN,A.GEERLOF,M.S.WEISS . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 0 0 0 0 2 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 1AA S 0 0 88 0, 0.0 2,-0.4 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 151.3 24.0 16.6 -13.7 2 2 A E - 0 0 132 165,-0.1 2,-0.2 107,-0.0 164,-0.2 -0.941 360.0-113.0-115.5 147.1 27.6 15.6 -14.2 3 3 A A - 0 0 42 -2,-0.4 2,-0.7 162,-0.2 161,-0.2 -0.504 25.1-137.6 -73.7 138.9 29.7 16.5 -17.2 4 4 A F + 0 0 15 159,-2.9 162,-0.1 -2,-0.2 3,-0.1 -0.915 46.1 136.4-101.8 115.1 30.7 13.8 -19.6 5 5 A H S S- 0 0 98 -2,-0.7 134,-2.7 1,-0.4 135,-0.8 0.726 75.4 -8.3-119.6 -51.6 34.2 13.8 -20.8 6 6 A T E -A 138 0A 78 132,-0.2 -1,-0.4 133,-0.1 2,-0.4 -0.990 58.6-169.3-143.7 147.1 35.5 10.2 -20.6 7 7 A H E -A 137 0A 41 130,-2.0 130,-2.7 -2,-0.3 2,-0.4 -0.996 2.2-174.2-138.5 130.9 34.0 7.1 -19.1 8 8 A S E +A 136 0A 57 -2,-0.4 2,-0.3 128,-0.2 128,-0.2 -0.994 26.6 130.6-120.2 130.9 35.7 3.7 -18.5 9 9 A G E -A 135 0A 3 126,-2.0 126,-2.9 -2,-0.4 2,-0.2 -0.983 59.2 -57.5-166.7 175.4 33.7 0.7 -17.2 10 10 A I E -A 134 0A 16 51,-0.4 53,-2.0 -2,-0.3 54,-1.9 -0.404 54.1-130.6 -63.7 131.3 32.8 -2.9 -17.7 11 11 A G E -d 64 0B 0 122,-2.2 121,-0.4 52,-0.2 54,-0.2 -0.605 14.7-153.5 -84.3 141.9 31.4 -3.6 -21.1 12 12 A V E -d 65 0B 0 52,-2.8 54,-3.0 -2,-0.3 2,-1.0 -0.959 8.5-143.0-119.0 119.2 28.2 -5.6 -21.4 13 13 A P E +d 66 0B 11 0, 0.0 2,-0.8 0, 0.0 54,-0.2 -0.697 21.6 177.9 -87.7 106.2 27.5 -7.6 -24.6 14 14 A L E -d 67 0B 3 52,-2.8 2,-2.0 -2,-1.0 54,-0.7 -0.856 11.9-167.7-110.2 97.4 23.8 -7.4 -25.4 15 15 A R + 0 0 109 -2,-0.8 2,-0.4 52,-0.2 52,-0.1 -0.476 47.9 120.0 -87.1 65.8 23.1 -9.2 -28.7 16 16 A R - 0 0 110 -2,-2.0 52,-1.8 3,-0.0 3,-0.3 -0.999 43.5-165.7-130.0 130.7 19.7 -7.8 -29.0 17 17 A S + 0 0 51 -2,-0.4 53,-0.2 1,-0.2 3,-0.2 -0.713 67.3 24.9-110.8 158.2 18.7 -5.7 -32.0 18 18 A N S S- 0 0 94 51,-3.0 2,-0.3 -2,-0.3 53,-0.2 0.842 79.5-172.4 60.5 34.3 15.7 -3.5 -32.6 19 19 A V - 0 0 0 50,-0.3 53,-1.7 -3,-0.3 54,-1.0 -0.456 7.3-150.6 -69.6 123.8 15.3 -3.0 -28.8 20 20 A D >> - 0 0 63 -2,-0.3 4,-1.9 52,-0.2 3,-1.4 -0.534 25.5-106.5 -95.3 159.0 12.1 -1.2 -28.0 21 21 A T H 3> S+ 0 0 2 54,-0.6 4,-2.7 52,-0.4 55,-0.1 0.853 117.5 57.5 -52.1 -39.2 11.4 1.1 -25.1 22 22 A D H 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.707 106.1 49.8 -76.1 -15.4 9.2 -1.4 -23.3 23 23 A Q H <4 S+ 0 0 74 -3,-1.4 23,-0.3 2,-0.1 22,-0.3 0.828 111.0 49.5 -78.1 -39.2 12.1 -4.0 -23.3 24 24 A I H < S- 0 0 0 -4,-1.9 19,-2.5 1,-0.3 20,-0.3 0.920 139.4 -2.3 -63.8 -43.8 14.4 -1.3 -21.9 25 25 A I S < S- 0 0 0 -4,-2.7 -1,-0.3 17,-0.2 17,-0.2 -0.850 85.1-127.6-151.3 108.9 11.8 -0.5 -19.2 26 26 A P > - 0 0 26 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.185 23.8-112.7 -59.5 150.7 8.5 -2.3 -19.2 27 27 A A G > S+ 0 0 48 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.788 110.9 68.4 -51.7 -36.7 5.3 -0.2 -19.1 28 28 A V G 3 S+ 0 0 116 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.720 97.4 55.2 -64.6 -19.2 4.3 -1.4 -15.5 29 29 A F G X S+ 0 0 66 -3,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.488 92.7 71.2 -87.9 -7.0 7.3 0.6 -14.2 30 30 A L T < S+ 0 0 28 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.323 71.0 82.4-103.3 16.4 6.3 3.9 -15.6 31 31 A K T 3 + 0 0 181 -3,-0.5 -1,-0.2 -4,-0.1 2,-0.2 0.634 66.7 109.3 -82.6 -13.1 3.3 4.7 -13.5 32 32 A R < - 0 0 76 -3,-0.6 244,-0.1 1,-0.1 304,-0.0 -0.507 52.8-166.1 -60.7 131.5 5.8 6.0 -10.9 33 33 A V + 0 0 9 242,-0.3 -1,-0.1 -2,-0.2 243,-0.1 0.398 61.3 89.0 -98.5 -12.9 5.5 9.9 -10.6 34 34 A T S S- 0 0 10 241,-0.2 242,-0.1 1,-0.1 212,-0.0 -0.203 73.0-136.6 -87.4 177.3 8.8 10.2 -8.7 35 35 A R + 0 0 49 241,-0.1 3,-0.2 168,-0.1 -1,-0.1 0.601 63.3 114.2-113.2 -11.8 12.3 10.6 -9.9 36 36 A T S S- 0 0 83 1,-0.2 50,-0.1 2,-0.1 -2,-0.0 -0.107 80.4 -31.2 -55.8 154.5 14.1 8.1 -7.5 37 37 A G + 0 0 29 1,-0.1 3,-0.4 49,-0.1 -1,-0.2 0.338 41.7 179.0 -10.4 106.2 15.7 5.0 -9.1 38 38 A F >> + 0 0 4 44,-0.3 3,-1.6 -3,-0.2 4,-0.7 0.321 54.2 110.7 -96.1 13.1 14.5 3.2 -12.1 39 39 A E G >4 S+ 0 0 71 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.822 70.7 59.0 -59.4 -35.6 17.3 0.7 -12.1 40 40 A D G 34 S+ 0 0 112 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.730 103.3 53.9 -70.7 -20.0 15.0 -2.2 -11.1 41 41 A G G X4 S+ 0 0 2 -3,-1.6 3,-2.0 -12,-0.1 4,-0.3 0.651 78.2 114.3 -81.2 -18.0 13.0 -1.6 -14.3 42 42 A L T << S- 0 0 0 -3,-0.8 -17,-0.2 -4,-0.7 -18,-0.1 -0.358 104.7 -21.8 -60.1 120.9 15.9 -1.8 -16.7 43 43 A F T 3> S+ 0 0 2 -19,-2.5 4,-2.4 -20,-0.3 -1,-0.3 0.834 91.2 160.2 51.9 34.4 15.5 -4.9 -18.9 44 44 A A T <4 + 0 0 20 -3,-2.0 4,-0.3 -20,-0.3 -2,-0.1 0.846 66.6 48.5 -66.8 -32.7 13.2 -6.1 -16.1 45 45 A G T >4 S+ 0 0 45 -22,-0.3 3,-1.7 -4,-0.3 -1,-0.2 0.973 114.8 45.2 -65.3 -49.3 11.4 -8.7 -18.2 46 46 A W G >4 S+ 0 0 63 -23,-0.3 3,-1.8 1,-0.3 6,-0.2 0.829 101.9 67.9 -65.2 -27.6 14.6 -10.1 -19.6 47 47 A R G 3< S+ 0 0 57 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.565 76.7 83.3 -72.3 -6.9 16.2 -10.2 -16.2 48 48 A S G < S+ 0 0 103 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.741 78.8 77.4 -64.7 -23.0 13.8 -12.9 -15.2 49 49 A D S X S- 0 0 90 -3,-1.8 3,-2.2 -4,-0.2 6,-0.2 -0.803 75.7-148.4 -90.3 121.1 16.2 -15.3 -16.8 50 50 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.681 99.0 57.6 -62.5 -15.9 19.3 -16.0 -14.6 51 51 A A T 3 S+ 0 0 67 5,-0.0 5,-0.1 3,-0.0 2,-0.1 0.479 75.9 118.7 -93.0 0.1 21.3 -16.5 -17.8 52 52 A F S X S- 0 0 13 -3,-2.2 3,-2.2 -6,-0.2 4,-0.3 -0.439 76.9-117.3 -64.0 141.9 20.5 -13.0 -19.1 53 53 A V G > S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 6,-0.1 0.804 110.4 58.9 -56.1 -37.1 23.8 -11.2 -19.4 54 54 A L G 3 S+ 0 0 3 1,-0.3 -1,-0.3 5,-0.1 8,-0.1 0.674 101.2 58.1 -73.8 -11.3 23.0 -8.5 -16.9 55 55 A N G < S+ 0 0 62 -3,-2.2 2,-0.5 -6,-0.2 -1,-0.3 0.470 91.2 89.3 -87.1 -6.5 22.5 -11.1 -14.2 56 56 A L S X> S- 0 0 72 -3,-1.7 4,-1.6 -4,-0.3 3,-0.7 -0.817 85.5 -86.5 -98.4 134.5 26.0 -12.5 -14.7 57 57 A S T 34 S+ 0 0 99 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.0 -0.514 107.0 12.0 -69.3 142.0 29.1 -11.4 -12.8 58 58 A P T >4 S+ 0 0 24 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.955 120.9 64.0 -92.5 7.9 30.9 -9.1 -13.7 59 59 A F G X4 S+ 0 0 13 -3,-0.7 3,-2.2 1,-0.3 -2,-0.2 0.784 88.9 73.0 -63.6 -24.9 28.4 -7.8 -16.3 60 60 A D G 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.3 -3,-0.1 0.715 99.3 47.0 -62.1 -18.8 26.0 -7.0 -13.6 61 61 A R G < S+ 0 0 169 -3,-2.1 -51,-0.4 -5,-0.2 -1,-0.3 0.122 89.5 137.1-104.1 17.9 28.3 -4.1 -12.6 62 62 A G < + 0 0 2 -3,-2.2 -51,-0.2 1,-0.1 3,-0.1 -0.255 31.7 177.5 -66.1 153.3 28.6 -2.9 -16.2 63 63 A S + 0 0 16 -53,-2.0 27,-2.7 1,-0.2 28,-1.3 0.378 67.4 64.9-134.4 1.8 28.5 0.7 -17.3 64 64 A V E -de 11 91B 0 -54,-1.9 -52,-2.8 25,-0.2 2,-0.6 -0.982 68.9-158.5-125.9 114.6 29.1 0.5 -21.1 65 65 A L E -de 12 92B 1 26,-2.7 28,-3.1 -2,-0.5 2,-0.7 -0.842 3.6-162.1 -96.7 123.6 26.3 -1.4 -23.0 66 66 A V E +de 13 93B 0 -54,-3.0 -52,-2.8 -2,-0.6 2,-0.2 -0.921 24.6 176.5-105.5 105.6 27.2 -2.8 -26.4 67 67 A A E -d 14 0B 0 26,-2.9 28,-0.3 -2,-0.7 -52,-0.2 -0.626 29.3-101.6-109.7 167.0 23.9 -3.4 -28.2 68 68 A G - 0 0 0 -52,-1.8 3,-0.3 -54,-0.7 28,-0.2 -0.160 60.1 -61.7 -75.8 177.1 22.8 -4.6 -31.6 69 69 A P S S+ 0 0 31 0, 0.0 -51,-3.0 0, 0.0 -50,-0.3 -0.222 115.0 28.7 -62.3 150.3 21.5 -2.3 -34.3 70 70 A D S > S- 0 0 40 26,-1.2 3,-1.2 1,-0.2 2,-0.4 0.885 75.2-178.3 68.0 43.8 18.5 -0.2 -33.9 71 71 A F B 3 S+h 97 0C 0 25,-1.7 27,-2.2 -3,-0.3 -1,-0.2 -0.613 73.1 9.1 -72.6 128.4 18.7 0.2 -30.2 72 72 A G T 3 S+ 0 0 0 -53,-1.7 29,-0.5 -2,-0.4 -1,-0.3 0.820 93.5 179.8 71.1 30.2 15.8 2.3 -28.8 73 73 A T < + 0 0 51 -3,-1.2 -52,-0.4 -54,-1.0 -1,-0.2 -0.256 45.0 4.2 -63.1 146.6 14.1 2.1 -32.3 74 74 A G S S- 0 0 46 -54,-0.1 26,-0.5 -53,-0.1 27,-0.4 -0.394 117.3 -9.2 85.3-157.3 10.8 3.8 -32.7 75 75 A S S S- 0 0 88 -2,-0.1 -54,-0.6 25,-0.1 2,-0.3 -0.548 72.0-179.4 -77.8 145.2 9.0 5.8 -30.1 76 76 A S - 0 0 10 -2,-0.2 2,-0.2 -56,-0.1 -2,-0.1 -0.993 23.3-117.8-149.3 164.8 10.5 5.8 -26.7 77 77 A R >> - 0 0 99 -2,-0.3 3,-1.8 1,-0.1 4,-0.6 -0.602 23.1-123.3 -98.6 147.7 10.0 7.1 -23.2 78 78 A E H >> S+ 0 0 54 1,-0.3 4,-2.0 -2,-0.2 3,-0.9 0.878 110.6 69.8 -54.7 -33.0 12.4 9.4 -21.2 79 79 A H H 3> S+ 0 0 16 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.731 85.1 67.9 -61.0 -24.6 12.3 6.6 -18.6 80 80 A A H <> S+ 0 0 0 -3,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.918 105.6 40.7 -63.1 -43.2 14.3 4.4 -20.9 81 81 A V H S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 4,-0.9 0.950 117.0 44.5 -59.5 -50.2 19.9 2.9 -18.1 85 85 A M H ><5S+ 0 0 24 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.905 111.1 52.5 -64.5 -43.9 21.5 5.7 -16.1 86 86 A D H 3<5S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 106.0 54.4 -66.4 -31.6 20.1 4.7 -12.8 87 87 A Y H 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.783 128.7 -98.5 -68.1 -26.4 21.5 1.2 -13.2 88 88 A G T <<5S+ 0 0 26 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.2 0.355 74.3 142.2 123.9 -3.4 24.9 2.8 -13.8 89 89 A F < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -25,-0.2 -0.524 15.5 167.6 -71.0 135.3 25.2 2.8 -17.6 90 90 A R + 0 0 62 -27,-2.7 21,-2.4 1,-0.3 2,-0.4 0.482 66.2 40.4-115.9 -12.7 27.0 5.9 -18.9 91 91 A V E -ef 64 111B 0 -28,-1.3 -26,-2.7 19,-0.2 2,-0.4 -0.997 55.5-171.8-138.4 135.0 27.5 4.7 -22.5 92 92 A V E -ef 65 112B 0 19,-2.8 21,-2.6 -2,-0.4 2,-0.4 -0.996 13.1-160.2-121.1 132.9 25.4 2.8 -24.9 93 93 A I E +ef 66 113B 0 -28,-3.1 -26,-2.9 -2,-0.4 2,-0.3 -0.950 24.3 146.0-112.5 131.9 27.1 1.6 -28.2 94 94 A S E - f 0 114B 0 19,-1.6 21,-1.9 -2,-0.4 3,-0.2 -0.965 52.9-125.5-156.0 156.7 25.1 0.7 -31.2 95 95 A S S S+ 0 0 20 -2,-0.3 2,-0.3 -28,-0.3 22,-0.2 0.620 101.6 12.5 -82.7 -12.5 25.5 1.0 -35.0 96 96 A R S S- 0 0 150 -28,-0.2 -25,-1.7 20,-0.1 -26,-1.2 -0.846 70.3-164.1-158.1 131.2 22.1 2.8 -35.2 97 97 A F B -h 71 0C 16 -2,-0.3 -25,-0.2 -27,-0.2 2,-0.1 -0.823 33.8-101.3-109.2 154.3 19.8 4.3 -32.5 98 98 A G > - 0 0 7 -27,-2.2 4,-2.5 -2,-0.3 5,-0.2 -0.430 37.5-129.4 -61.0 139.1 16.2 5.4 -32.5 99 99 A D H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 104.2 51.7 -68.6 -35.3 16.3 9.1 -32.9 100 100 A I H > S+ 0 0 85 -26,-0.5 4,-2.5 1,-0.2 5,-0.2 0.957 113.7 45.3 -66.0 -45.9 14.1 10.0 -30.0 101 101 A F H > S+ 0 0 0 -29,-0.5 4,-2.7 -27,-0.4 -2,-0.2 0.925 111.5 53.4 -54.9 -49.3 16.2 7.8 -27.7 102 102 A R H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.937 111.5 44.1 -59.3 -42.8 19.4 9.2 -29.0 103 103 A G H X S+ 0 0 28 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.921 113.1 50.8 -66.9 -42.6 18.3 12.8 -28.4 104 104 A N H X S+ 0 0 26 -4,-2.5 4,-1.1 1,-0.2 6,-0.2 0.872 106.8 57.0 -61.3 -40.6 16.9 12.0 -24.9 105 105 A A H >X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-1.0 0.964 107.5 45.7 -57.1 -53.3 20.2 10.3 -24.0 106 106 A G H 3<5S+ 0 0 4 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.817 111.1 53.3 -62.5 -30.7 22.3 13.3 -24.7 107 107 A K H 3<5S+ 0 0 78 -4,-1.5 -1,-0.3 1,-0.2 94,-0.2 0.659 113.2 43.5 -74.4 -17.3 19.9 15.5 -22.8 108 108 A A H <<5S- 0 0 14 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.366 121.4 -94.8-112.4 4.2 20.1 13.3 -19.7 109 109 A G T <5S+ 0 0 20 -4,-0.7 2,-0.5 -3,-0.3 -3,-0.2 0.611 82.0 128.3 97.0 8.9 23.9 12.6 -19.5 110 110 A L < - 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