==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-JUL-06 2HK3 . COMPND 2 MOLECULE: DIPHOSPHOMEVALONATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.BYRES,W.N.HUNTER . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.3 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 . 43 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 1 3 0 2 0 0 0 4 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 0 6 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 1000 A H >> 0 0 154 0, 0.0 3,-1.6 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 143.4 -18.6 -23.7 30.4 2 1001 A M H >> + 0 0 102 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.834 360.0 54.8 -50.3 -41.8 -16.4 -20.5 30.2 3 1002 A L H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.673 106.5 51.2 -68.8 -21.9 -13.4 -22.6 29.1 4 1003 A E H <4 S+ 0 0 152 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.725 120.6 35.7 -77.3 -24.5 -15.4 -24.0 26.2 5 1 A M H << S+ 0 0 88 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.838 87.3 96.0-104.8 -45.1 -16.4 -20.5 25.1 6 2 A I < - 0 0 43 -4,-2.7 2,-0.5 -5,-0.1 48,-0.2 -0.160 53.9-149.4 -64.2 147.3 -13.8 -17.8 25.7 7 3 A K E +A 53 0A 79 46,-2.3 46,-3.9 2,-0.0 2,-0.3 -0.981 27.6 173.6-116.4 122.0 -11.4 -16.7 22.9 8 4 A S E +A 52 0A 59 -2,-0.5 2,-0.3 117,-0.3 44,-0.2 -0.949 16.6 176.9-142.6 158.3 -8.0 -15.5 24.1 9 5 A G E -A 51 0A 5 42,-2.4 42,-2.8 -2,-0.3 2,-0.4 -0.989 9.4-160.7-156.1 146.6 -4.6 -14.4 23.0 10 6 A K E +A 50 0A 57 -2,-0.3 320,-2.2 40,-0.2 2,-0.3 -0.999 18.2 165.3-139.8 135.0 -1.4 -13.2 24.4 11 7 A A E -AB 49 329A 0 38,-2.1 38,-2.9 -2,-0.4 2,-0.4 -0.988 27.3-141.1-148.3 155.7 1.5 -11.3 22.7 12 8 A R E -AB 48 328A 54 316,-3.0 316,-2.7 -2,-0.3 2,-0.4 -0.992 20.0-179.9-118.3 125.8 4.6 -9.2 23.3 13 9 A A E -A 47 0A 0 34,-2.2 34,-2.8 -2,-0.4 2,-0.2 -0.988 18.5-138.0-124.1 137.3 5.4 -6.2 21.1 14 10 A H E -A 46 0A 9 135,-0.4 32,-0.3 -2,-0.4 29,-0.1 -0.577 23.1-105.2 -91.3 152.7 8.5 -4.1 21.5 15 11 A T E - 0 0 7 30,-1.4 27,-3.1 27,-0.4 2,-0.3 -0.365 32.8-154.5 -67.1 154.1 8.7 -0.3 21.3 16 12 A N E -A 41 0A 9 25,-0.3 2,-0.5 -2,-0.1 25,-0.3 -0.932 5.2-143.4-128.2 151.3 10.2 1.3 18.3 17 13 A I E -A 40 0A 14 23,-2.6 23,-2.0 -2,-0.3 2,-0.5 -0.988 19.5-127.7-115.8 127.1 11.9 4.6 17.9 18 14 A A E +A 39 0A 6 -2,-0.5 21,-0.3 21,-0.2 3,-0.2 -0.644 24.9 178.3 -74.1 123.0 11.4 6.7 14.7 19 15 A L E S+ 0 0 0 19,-2.9 2,-0.5 -2,-0.5 225,-0.2 0.805 85.9 38.4 -92.0 -40.4 14.8 7.8 13.2 20 16 A I E S-A 38 0A 0 18,-1.6 18,-1.5 223,-0.1 -1,-0.4 -0.990 111.9-114.5-105.3 121.7 13.1 9.4 10.2 21 17 A K - 0 0 1 -2,-0.5 2,-0.6 16,-0.2 -2,-0.1 -0.176 14.3-143.7 -75.2 140.5 10.0 11.0 11.9 22 18 A Y + 0 0 29 15,-0.1 2,-0.2 16,-0.1 3,-0.1 -0.871 41.1 156.7 -80.5 117.5 6.3 10.5 11.6 23 19 A W + 0 0 7 -2,-0.6 -2,-0.0 1,-0.4 2,-0.0 -0.683 46.3 16.2-152.5 92.9 5.1 14.1 12.0 24 20 A G - 0 0 0 -2,-0.2 10,-2.9 10,-0.1 11,-0.5 0.150 66.6-125.0 109.1 124.6 1.7 15.1 10.6 25 21 A K E -H 33 0B 6 8,-0.3 3,-0.2 1,-0.1 -3,-0.0 -0.825 7.1-161.2 -98.8 141.1 -1.3 13.1 9.6 26 22 A K E S+ 0 0 140 6,-2.6 2,-0.4 -2,-0.4 -1,-0.1 0.853 95.2 26.4 -76.1 -45.8 -3.0 13.3 6.2 27 23 A D E >> -H 32 0B 62 5,-1.5 5,-1.9 1,-0.1 4,-1.1 -0.984 67.8-169.2-120.2 117.3 -6.1 11.7 7.8 28 24 A E T 45S+ 0 0 64 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.859 86.3 46.4 -69.5 -43.0 -6.7 12.0 11.5 29 25 A A T 45S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.883 123.1 34.5 -70.6 -38.6 -9.5 9.5 12.0 30 26 A L T 45S- 0 0 58 2,-0.1 -1,-0.2 112,-0.0 -2,-0.2 0.587 104.7-125.4 -94.5 -13.3 -7.7 6.8 10.0 31 27 A I T <5 + 0 0 3 -4,-1.1 -3,-0.2 1,-0.2 112,-0.1 0.981 47.2 162.5 62.5 57.6 -4.1 7.7 11.1 32 28 A I E < -H 27 0B 5 -5,-1.9 -6,-2.6 129,-0.1 -5,-1.5 -0.925 31.7-135.0-102.3 128.1 -2.7 8.0 7.6 33 29 A P E -H 25 0B 2 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.498 12.1-128.1 -89.9 162.0 0.5 9.9 7.8 34 30 A M S S+ 0 0 45 -10,-2.9 2,-0.3 1,-0.2 -9,-0.1 0.666 93.3 10.9 -71.1 -20.6 1.8 12.9 5.6 35 31 A N S S- 0 0 4 -11,-0.5 -1,-0.2 124,-0.1 -12,-0.1 -0.997 84.4 -91.8-154.5 152.9 5.0 10.9 5.1 36 32 A N - 0 0 17 -2,-0.3 2,-0.3 -3,-0.1 122,-0.2 -0.272 38.6-157.6 -54.5 151.6 6.8 7.5 5.5 37 33 A S E - C 0 157A 0 120,-1.0 120,-2.9 -15,-0.1 2,-0.4 -0.972 5.8-146.2-134.6 151.5 8.8 7.0 8.7 38 34 A I E -AC 20 156A 0 -18,-1.5 -19,-2.9 -2,-0.3 -18,-1.6 -0.971 23.0-179.5-121.6 127.5 11.7 4.6 9.4 39 35 A S E -AC 18 155A 0 116,-3.0 116,-2.0 -2,-0.4 2,-0.4 -0.815 26.8-137.9-126.6 168.4 12.2 3.0 12.8 40 36 A V E -AC 17 154A 0 -23,-2.0 -23,-2.6 -2,-0.3 2,-0.4 -0.977 26.5-131.9-120.7 128.9 14.4 0.7 14.9 41 37 A T E -A 16 0A 3 112,-1.9 282,-1.7 -2,-0.4 2,-0.4 -0.761 22.0-138.0 -83.5 128.6 12.6 -1.8 17.2 42 38 A L E -I 322 0C 0 -27,-3.1 -27,-0.4 -2,-0.4 3,-0.3 -0.752 8.7-155.9-101.8 131.6 14.1 -1.9 20.8 43 39 A E E S+ 0 0 88 278,-2.0 -1,-0.1 -2,-0.4 279,-0.1 0.843 87.3 53.7 -77.1 -31.5 14.8 -5.0 22.7 44 40 A K E S+ 0 0 101 277,-0.5 2,-0.4 -30,-0.0 -1,-0.2 0.770 103.7 59.8 -72.5 -30.3 14.7 -3.8 26.3 45 41 A F E + 0 0 8 -3,-0.3 -30,-1.4 -30,-0.2 2,-0.3 -0.877 65.2 131.3-111.3 136.0 11.3 -2.1 26.1 46 42 A Y E -AD 14 101A 51 55,-1.0 55,-2.8 -2,-0.4 2,-0.4 -0.955 43.4-122.2-161.5 174.2 8.0 -3.9 25.2 47 43 A T E -AD 13 100A 0 -34,-2.8 -34,-2.2 -2,-0.3 2,-0.5 -0.998 15.1-154.8-130.6 135.3 4.4 -4.4 26.2 48 44 A E E -AD 12 99A 28 51,-2.5 51,-2.7 -2,-0.4 2,-0.4 -0.962 19.5-176.9-108.5 122.8 2.8 -7.8 27.0 49 45 A T E -AD 11 98A 2 -38,-2.9 -38,-2.1 -2,-0.5 2,-0.4 -0.977 14.8-167.9-127.0 127.5 -0.9 -7.9 26.4 50 46 A K E -AD 10 97A 75 47,-3.7 47,-3.6 -2,-0.4 2,-0.4 -0.915 9.2-166.0-104.8 137.3 -3.5 -10.7 26.9 51 47 A V E -AD 9 96A 0 -42,-2.8 -42,-2.4 -2,-0.4 2,-0.4 -0.982 4.6-172.1-121.9 137.6 -7.0 -10.4 25.5 52 48 A T E -AD 8 95A 16 43,-2.1 43,-2.5 -2,-0.4 2,-0.5 -0.931 8.9-156.9-131.9 109.3 -9.9 -12.6 26.5 53 49 A F E +AD 7 94A 0 -46,-3.9 -46,-2.3 -2,-0.4 2,-0.4 -0.732 18.5 175.8 -86.8 129.3 -13.2 -12.4 24.6 54 50 A N > - 0 0 27 39,-2.4 3,-0.9 -2,-0.5 39,-0.4 -0.979 31.6-146.5-142.0 124.1 -16.2 -13.5 26.6 55 51 A D T 3 S+ 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 39,-0.1 0.553 99.3 56.4 -64.7 -9.8 -19.9 -13.5 25.6 56 52 A Q T 3 S+ 0 0 149 37,-0.1 -1,-0.2 36,-0.0 2,-0.0 0.744 81.7 104.3 -95.3 -27.2 -21.0 -12.8 29.2 57 53 A L < - 0 0 41 -3,-0.9 36,-0.6 36,-0.2 3,-0.1 -0.300 54.1-163.3 -58.0 134.9 -19.0 -9.7 29.6 58 54 A T S S+ 0 0 122 1,-0.2 2,-0.3 34,-0.1 -1,-0.1 0.551 70.9 10.1 -98.1 -13.3 -21.1 -6.5 29.3 59 55 A Q S S- 0 0 112 35,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.949 89.4 -88.8-160.5 155.2 -18.4 -4.0 28.7 60 56 A D - 0 0 2 -2,-0.3 2,-0.4 33,-0.1 35,-0.2 -0.479 39.3-156.1 -69.9 147.1 -14.6 -4.1 27.9 61 57 A Q E -e 95 0A 52 33,-2.9 35,-3.6 -2,-0.1 2,-0.4 -0.978 7.3-168.0-125.6 150.1 -12.3 -4.3 30.8 62 58 A F E -e 96 0A 18 7,-0.4 7,-2.7 -2,-0.4 2,-0.4 -0.998 7.2-173.0-139.2 123.7 -8.7 -3.2 30.9 63 59 A W E -eF 97 68A 56 33,-2.8 35,-2.8 -2,-0.4 2,-0.5 -0.990 7.8-168.8-114.4 131.5 -5.9 -3.8 33.5 64 60 A L E > S-eF 98 67A 49 3,-2.7 3,-1.5 -2,-0.4 35,-0.2 -0.989 76.2 -16.2-121.9 119.9 -2.6 -2.0 33.0 65 61 A N T 3 S- 0 0 79 33,-2.3 34,-0.1 -2,-0.5 -1,-0.1 0.832 130.2 -53.9 53.7 35.3 0.3 -3.1 35.2 66 62 A G T 3 S+ 0 0 60 32,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.567 116.0 113.5 78.3 11.9 -2.3 -4.8 37.5 67 63 A E E < S-F 64 0A 137 -3,-1.5 -3,-2.7 0, 0.0 2,-0.3 -0.940 70.8-118.6-113.4 136.4 -4.4 -1.6 38.0 68 64 A K E -F 63 0A 112 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.587 28.5-140.5 -74.5 129.3 -7.9 -1.4 36.6 69 65 A V + 0 0 22 -7,-2.7 -7,-0.4 -2,-0.3 2,-0.2 -0.793 30.5 159.5 -93.0 131.2 -8.2 1.4 34.0 70 66 A S > + 0 0 94 -2,-0.5 3,-0.7 -9,-0.1 4,-0.4 -0.716 39.2 44.3-126.2-173.2 -11.2 3.6 33.9 71 67 A G T >> S- 0 0 44 -2,-0.2 4,-1.8 1,-0.2 3,-0.7 -0.362 116.2 -21.5 77.1-154.0 -11.9 7.1 32.4 72 68 A K H 3> S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.714 132.6 61.2 -68.0 -26.0 -10.7 8.2 29.0 73 69 A E H <> S+ 0 0 104 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.829 109.1 43.5 -71.7 -30.9 -8.0 5.6 28.7 74 70 A L H <> S+ 0 0 36 -3,-0.7 4,-2.9 -4,-0.4 -2,-0.2 0.875 112.4 53.4 -71.4 -41.9 -10.7 2.9 29.0 75 71 A E H X S+ 0 0 123 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.922 108.8 51.2 -56.8 -47.2 -12.8 4.8 26.5 76 72 A K H X S+ 0 0 107 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.895 112.3 43.8 -57.2 -52.8 -9.9 4.9 24.2 77 73 A I H X S+ 0 0 13 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.857 110.4 54.9 -64.0 -36.8 -9.3 1.2 24.3 78 74 A S H X S+ 0 0 28 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.858 107.4 51.2 -66.3 -34.5 -13.0 0.3 24.0 79 75 A K H X S+ 0 0 145 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.907 111.1 48.0 -61.5 -46.5 -13.2 2.4 20.8 80 76 A Y H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.911 109.6 52.8 -58.4 -45.5 -10.2 0.5 19.4 81 77 A M H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.830 102.5 58.3 -61.4 -37.0 -11.8 -2.8 20.5 82 78 A D H X S+ 0 0 78 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.921 107.4 48.8 -55.9 -45.4 -15.1 -1.9 18.5 83 79 A I H X S+ 0 0 56 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.930 112.5 47.1 -55.8 -50.0 -12.8 -1.6 15.4 84 80 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.938 113.7 48.3 -59.4 -48.4 -11.2 -5.0 16.2 85 81 A R H X>S+ 0 0 14 -4,-3.2 4,-2.5 2,-0.2 5,-1.7 0.919 111.4 50.5 -54.0 -46.1 -14.7 -6.5 16.8 86 82 A N H <5S+ 0 0 138 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.938 114.4 43.5 -61.8 -45.4 -16.0 -5.0 13.5 87 83 A R H <5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 117.8 44.3 -67.7 -41.9 -13.0 -6.4 11.6 88 84 A A H <5S- 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.787 106.7-126.0 -69.8 -30.9 -13.2 -9.8 13.2 89 85 A G T <5 + 0 0 69 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.869 67.8 119.3 82.8 40.5 -17.0 -10.1 12.9 90 86 A I < - 0 0 37 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.985 51.3-157.3-139.6 144.7 -17.7 -10.8 16.6 91 87 A D + 0 0 133 -2,-0.3 2,-0.1 -3,-0.1 -6,-0.1 0.425 50.0 125.8-106.5 4.1 -19.7 -8.8 19.2 92 88 A W - 0 0 47 -7,-0.1 -37,-0.2 1,-0.1 -34,-0.1 -0.372 55.8-131.5 -66.2 129.8 -18.1 -10.1 22.4 93 89 A Y - 0 0 85 -36,-0.6 -39,-2.4 -39,-0.4 2,-0.3 -0.344 30.0-140.5 -69.5 162.9 -16.7 -7.7 24.9 94 90 A A E -D 53 0A 0 -41,-0.2 -33,-2.9 -2,-0.1 2,-0.6 -0.924 16.6-134.3-135.5 150.7 -13.1 -8.4 26.2 95 91 A E E -De 52 61A 61 -43,-2.5 -43,-2.1 -2,-0.3 2,-0.5 -0.939 29.0-159.4 -99.3 122.7 -10.9 -8.4 29.2 96 92 A I E -De 51 62A 0 -35,-3.6 -33,-2.8 -2,-0.6 2,-0.6 -0.927 8.4-172.2-109.2 123.4 -7.6 -6.8 28.3 97 93 A E E +De 50 63A 82 -47,-3.6 -47,-3.7 -2,-0.5 2,-0.4 -0.933 13.5 172.3-118.9 113.5 -4.6 -7.6 30.5 98 94 A S E -De 49 64A 6 -35,-2.8 -33,-2.3 -2,-0.6 -32,-0.5 -0.885 19.9-168.2-124.8 145.4 -1.5 -5.6 29.7 99 95 A D E -D 48 0A 60 -51,-2.7 -51,-2.5 -2,-0.4 2,-0.6 -0.949 15.0-148.7-132.9 115.4 1.9 -5.1 31.3 100 96 A N E -D 47 0A 17 -2,-0.4 2,-0.3 -53,-0.2 -53,-0.2 -0.693 14.6-176.3 -77.0 117.8 4.3 -2.3 30.2 101 97 A F E +D 46 0A 89 -55,-2.8 -55,-1.0 -2,-0.6 -1,-0.1 -0.488 61.9 98.4-103.4 60.2 8.0 -3.0 30.4 102 98 A V S S- 0 0 12 -2,-0.3 2,-1.6 -57,-0.2 3,-0.2 -0.984 83.9-120.0-143.8 128.5 8.6 0.6 29.2 103 99 A P > + 0 0 44 0, 0.0 5,-1.7 0, 0.0 3,-0.2 -0.616 42.2 166.6 -80.1 92.3 9.4 3.4 31.7 104 100 A T T > 5S+ 0 0 75 -2,-1.6 3,-1.2 1,-0.2 6,-0.1 0.741 72.5 58.3 -81.7 -26.4 6.3 5.6 30.9 105 101 A A T 3 5S+ 0 0 113 1,-0.2 -1,-0.2 -3,-0.2 0, 0.0 0.694 100.2 61.5 -70.7 -21.7 6.7 7.9 33.9 106 102 A A T 3 5S- 0 0 27 -3,-0.2 81,-0.4 2,-0.1 -1,-0.2 0.376 128.2-106.3 -78.2 -0.1 10.1 8.5 32.4 107 103 A G T < 5S+ 0 0 36 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.452 73.5 144.0 86.3 2.6 8.2 9.9 29.4 108 104 A L < - 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0 0 26 130,-2.8 2,-0.4 -2,-0.6 -79,-0.1 -0.483 16.4-166.8 -74.0 133.7 11.0 40.4 31.1 519 183 B I - 0 0 9 -81,-0.3 2,-0.9 -2,-0.2 104,-0.2 -0.990 15.9-145.1-134.0 123.9 11.8 36.7 31.8 520 184 B N - 0 0 151 -2,-0.4 2,-0.3 102,-0.1 76,-0.1 -0.801 21.2-162.3 -89.6 103.6 14.3 35.4 34.3 521 185 B Q - 0 0 32 -2,-0.9 4,-0.1 1,-0.1 72,-0.0 -0.635 16.3-142.1 -86.9 144.0 15.9 32.3 32.8 522 186 B H S S+ 0 0 205 -2,-0.3 -1,-0.1 2,-0.1 2,-0.0 0.947 81.6 63.7 -69.9 -51.5 17.7 29.8 35.1 523 187 B S S S- 0 0 50 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.271 95.9 -98.4 -73.9 156.9 20.6 28.9 32.7 524 188 B K - 0 0 190 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.583 46.1-107.1 -77.2 141.2 23.2 31.4 31.5 525 189 B K - 0 0 90 -2,-0.3 -1,-0.1 -4,-0.1 67,-0.1 -0.297 23.4-112.8 -65.9 144.8 22.5 32.9 28.1 526 190 B V - 0 0 35 65,-0.2 -1,-0.1 1,-0.0 2,-0.0 -0.733 47.1-111.5 -72.5 120.4 24.4 31.9 24.9 527 191 B P > - 0 0 73 0, 0.0 4,-3.3 0, 0.0 3,-0.2 -0.370 21.0-128.0 -62.0 138.8 26.2 35.3 24.1 528 192 B S H > S+ 0 0 61 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.808 102.6 53.1 -60.5 -41.5 24.9 36.9 21.0 529 193 B R H > S+ 0 0 121 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 118.7 35.8 -59.7 -50.2 28.2 37.4 19.1 530 194 B Y H > S+ 0 0 139 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.870 115.5 59.0 -68.8 -47.6 29.2 33.8 19.5 531 195 B G H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.922 108.2 41.3 -43.5 -58.8 25.6 32.7 19.1 532 196 B M H X S+ 0 0 10 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.798 115.2 53.1 -72.8 -26.2 25.1 34.2 15.6 533 197 B S H X S+ 0 0 27 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.903 108.7 47.7 -68.6 -50.1 28.5 33.0 14.5 534 198 B L H X S+ 0 0 24 -4,-3.1 4,-0.8 2,-0.2 5,-0.4 0.943 118.5 43.1 -55.8 -48.8 28.0 29.4 15.6 535 199 B T H >X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 3,-0.8 0.946 114.4 48.3 -63.8 -50.7 24.6 29.5 13.8 536 200 B R H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 121.2 36.0 -54.9 -36.4 25.9 31.4 10.7 537 201 B N H 3< S+ 0 0 98 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.516 133.4 19.1 -98.6 -3.7 28.8 29.1 10.2 538 202 B T H << S+ 0 0 49 -4,-0.8 -3,-0.2 -3,-0.8 2,-0.2 0.471 80.8 122.3-147.7 -25.6 27.4 25.8 11.2 539 203 B S >< - 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