==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-12 4FDM . COMPND 2 MOLECULE: THERMOSTABLE LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. L2; . AUTHOR R.N.Z.R.A.RAHMAN,F.M.SHARIFF,A.B.SALLEH,M.B.BASRI . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 1 1 2 0 1 2 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 8 A A 0 0 74 0, 0.0 99,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.5 5.8 4.3 -23.3 2 9 A P - 0 0 2 0, 0.0 99,-2.6 0, 0.0 2,-0.3 -0.435 360.0-117.5 -74.2 157.7 5.1 0.5 -23.8 3 10 A I E -ab 41 101A 5 37,-2.8 39,-2.6 97,-0.2 2,-0.5 -0.738 22.3-162.2 -90.6 140.8 5.0 -1.9 -20.9 4 11 A V E -ab 42 102A 0 97,-2.7 99,-2.7 -2,-0.3 2,-0.3 -0.992 10.6-145.6-125.9 124.8 7.5 -4.8 -20.7 5 12 A L E -ab 43 103A 0 37,-2.6 39,-2.8 -2,-0.5 2,-0.4 -0.730 14.6-170.2 -93.1 136.6 6.6 -7.8 -18.4 6 13 A L E -ab 44 104A 1 97,-2.3 99,-2.3 -2,-0.3 102,-0.1 -0.947 8.4-147.2-138.8 118.8 9.4 -9.6 -16.6 7 14 A H - 0 0 2 37,-0.5 4,-0.2 -2,-0.4 99,-0.0 -0.063 10.8-131.9 -74.7 169.7 9.2 -12.9 -14.6 8 15 A G - 0 0 0 2,-0.7 -1,-0.1 99,-0.2 98,-0.1 0.348 65.1 -35.0 -96.4-134.2 11.1 -14.0 -11.5 9 16 A F S S+ 0 0 9 40,-0.1 2,-0.3 224,-0.1 97,-0.1 0.520 135.1 42.6 -85.2 -0.6 12.8 -17.3 -10.7 10 17 A T S S+ 0 0 8 37,-0.0 -2,-0.7 39,-0.0 2,-0.2 -0.939 80.9 114.1-121.8 157.3 10.3 -19.2 -12.7 11 18 A G - 0 0 0 -2,-0.3 2,-0.3 -4,-0.2 34,-0.1 -0.640 29.8-171.5 151.1 154.0 9.1 -17.8 -16.1 12 19 A W - 0 0 7 -2,-0.2 10,-0.4 32,-0.1 185,-0.1 -0.954 32.8 -80.1-162.8 162.3 9.1 -18.5 -19.8 13 20 A G > - 0 0 13 -2,-0.3 3,-1.6 185,-0.1 6,-0.2 -0.156 46.7 -99.4 -76.7 168.7 8.1 -17.0 -23.2 14 21 A R T 3 S+ 0 0 69 1,-0.3 -1,-0.1 29,-0.1 30,-0.0 0.740 122.1 47.0 -64.6 -25.1 4.7 -16.8 -24.7 15 22 A E T 3 S+ 0 0 186 3,-0.1 3,-0.4 4,-0.0 -1,-0.3 0.496 99.4 87.7 -92.7 -3.7 5.2 -19.9 -27.0 16 23 A E S X S+ 0 0 34 -3,-1.6 3,-2.1 1,-0.2 181,-0.2 -0.340 76.3 35.7 -88.0 173.0 6.7 -22.0 -24.2 17 24 A M G > S- 0 0 1 179,-3.2 3,-2.0 1,-0.3 -1,-0.2 0.804 131.1 -69.1 53.9 31.9 4.8 -24.2 -21.8 18 25 A F G 3 S- 0 0 132 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 95.7 -56.6 60.4 24.7 2.3 -25.1 -24.6 19 26 A G G < S+ 0 0 30 -3,-2.1 2,-0.5 1,-0.3 -1,-0.3 0.424 95.0 142.6 91.6 -3.9 1.1 -21.5 -24.4 20 27 A F < - 0 0 37 -3,-2.0 -1,-0.3 164,-0.2 2,-0.3 -0.635 50.8-131.6 -66.2 123.1 0.1 -21.4 -20.7 21 28 A K > - 0 0 34 -2,-0.5 4,-2.1 4,-0.4 3,-0.2 -0.604 18.5-152.6 -88.8 137.3 1.2 -17.9 -19.8 22 29 A Y T 4 S+ 0 0 6 -10,-0.4 2,-1.6 -2,-0.3 335,-0.2 0.941 98.1 59.6 -62.9 -45.5 3.3 -17.0 -16.8 23 30 A W T 4 S+ 0 0 8 1,-0.2 7,-2.3 333,-0.1 8,-0.5 -0.620 127.9 5.1 -85.4 85.1 1.6 -13.6 -16.9 24 31 A G T >> S- 0 0 0 331,-2.4 3,-2.4 -2,-1.6 4,-0.7 -0.074 81.8-179.6 137.2 -37.3 -2.0 -14.7 -16.4 25 32 A G G >< S- 0 0 10 -4,-2.1 3,-0.6 1,-0.3 -4,-0.4 -0.103 74.4 -6.1 50.0-126.6 -1.8 -18.5 -15.8 26 33 A V G 34 S+ 0 0 79 330,-2.1 -1,-0.3 1,-0.2 331,-0.1 0.604 134.3 62.5 -73.8 -12.0 -5.2 -20.1 -15.3 27 34 A R G <4 S- 0 0 72 -3,-2.4 2,-0.3 329,-0.6 -1,-0.2 0.737 112.8 -93.9 -86.7 -25.9 -6.9 -16.6 -15.3 28 35 A G << - 0 0 29 -4,-0.7 2,-0.5 -3,-0.6 -1,-0.3 -0.997 54.7 -43.7 145.1-154.8 -6.0 -15.6 -18.9 29 36 A D > - 0 0 30 -2,-0.3 4,-2.4 -5,-0.2 -5,-0.2 -0.929 38.8-169.2-126.8 100.4 -3.3 -13.6 -20.7 30 37 A I H > S+ 0 0 0 -7,-2.3 4,-2.4 -2,-0.5 5,-0.2 0.901 88.4 54.1 -61.8 -40.6 -2.4 -10.3 -19.0 31 38 A E H > S+ 0 0 22 -8,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.911 109.4 49.4 -59.9 -42.1 -0.4 -9.0 -22.0 32 39 A Q H > S+ 0 0 79 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.922 109.2 51.4 -64.3 -44.4 -3.4 -9.6 -24.2 33 40 A W H X S+ 0 0 32 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.901 112.7 46.3 -56.1 -42.6 -5.7 -7.8 -21.7 34 41 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.8 0.946 113.9 46.4 -69.2 -46.9 -3.3 -4.8 -21.7 35 42 A N H ><5S+ 0 0 55 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.917 109.7 55.2 -60.9 -42.4 -2.9 -4.7 -25.5 36 43 A D H 3<5S+ 0 0 114 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.688 108.1 50.6 -62.9 -20.4 -6.7 -5.0 -25.9 37 44 A N T <<5S- 0 0 89 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.106 127.7 -94.2-105.2 18.8 -7.2 -1.9 -23.7 38 45 A G T < 5S+ 0 0 70 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.518 87.2 124.0 87.5 6.5 -4.7 0.3 -25.5 39 46 A Y < - 0 0 56 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.889 59.9-136.3-103.9 106.3 -1.6 -0.4 -23.5 40 47 A R - 0 0 101 -2,-0.8 -37,-2.8 -3,-0.1 2,-0.4 -0.472 35.0-179.6 -67.3 121.6 1.1 -1.6 -25.8 41 48 A T E -a 3 0A 3 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.986 17.2-177.4-137.3 138.4 2.7 -4.5 -23.9 42 49 A Y E -a 4 0A 59 -39,-2.6 -37,-2.6 -2,-0.4 2,-0.4 -0.843 18.8-132.5-128.5 162.3 5.6 -7.0 -24.6 43 50 A T E -a 5 0A 27 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.978 9.8-153.7-124.0 131.5 7.0 -9.9 -22.6 44 51 A L E -a 6 0A 0 -39,-2.8 -37,-0.5 -2,-0.4 2,-0.4 -0.740 4.3-164.8 -94.7 149.5 10.7 -10.7 -21.8 45 52 A A + 0 0 12 -2,-0.3 2,-0.2 -39,-0.1 -32,-0.1 -0.933 21.5 158.8-136.6 111.1 11.9 -14.3 -21.1 46 53 A V - 0 0 0 -2,-0.4 9,-0.1 1,-0.1 10,-0.0 -0.673 54.9 -57.0-124.0 175.3 15.3 -14.6 -19.5 47 54 A G - 0 0 0 -2,-0.2 3,-0.3 153,-0.2 153,-0.1 -0.349 44.6-156.8 -58.1 120.6 17.1 -17.3 -17.5 48 55 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 152,-0.1 0.891 91.5 34.4 -71.3 -30.9 14.9 -18.1 -14.6 49 56 A L S S+ 0 0 0 150,-0.4 184,-2.5 184,-0.1 185,-0.5 0.458 97.7 104.9 -98.2 -4.8 17.7 -19.5 -12.4 50 57 A S B S-H 232 0B 0 -3,-0.3 182,-0.2 182,-0.2 176,-0.0 -0.288 81.2 -85.9 -75.0 166.1 20.4 -17.2 -13.6 51 58 A S > - 0 0 3 180,-0.7 4,-2.6 181,-0.1 182,-0.2 -0.211 36.4-112.2 -64.7 157.8 21.9 -14.3 -11.7 52 59 A N H > S+ 0 0 0 180,-0.3 4,-2.5 1,-0.2 5,-0.2 0.872 119.6 56.3 -55.1 -36.9 20.2 -10.9 -11.9 53 60 A W H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 108.4 44.3 -59.1 -52.6 23.3 -9.7 -13.8 54 61 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 114.6 50.6 -59.5 -45.9 23.0 -12.4 -16.5 55 62 A R H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.867 108.6 51.2 -59.7 -38.9 19.3 -11.7 -16.7 56 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.906 110.1 49.3 -68.0 -38.9 19.8 -8.0 -17.1 57 64 A C H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 12,-0.3 0.889 113.7 47.2 -63.9 -40.4 22.3 -8.6 -19.9 58 65 A E H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.926 111.6 50.1 -64.9 -44.1 19.8 -10.9 -21.6 59 66 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.899 108.0 53.7 -62.1 -42.5 17.0 -8.4 -21.2 60 67 A Y H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.949 112.4 42.8 -56.7 -51.5 19.1 -5.6 -22.7 61 68 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.891 112.6 54.0 -63.9 -39.7 19.8 -7.7 -25.9 62 69 A Q H < S+ 0 0 16 -4,-2.7 28,-2.3 2,-0.2 -1,-0.2 0.835 114.1 42.1 -62.0 -35.4 16.2 -8.9 -26.1 63 70 A L H < S+ 0 0 0 -4,-1.9 28,-2.6 26,-0.3 -2,-0.2 0.953 129.2 22.7 -77.4 -52.8 15.0 -5.3 -26.0 64 71 A V H < S- 0 0 9 -4,-2.6 -3,-0.2 25,-0.2 -2,-0.2 0.668 109.3-115.6 -94.2 -15.1 17.4 -3.5 -28.4 65 72 A G < + 0 0 20 -4,-2.2 2,-0.2 -5,-0.4 -1,-0.2 0.021 62.3 85.4 94.9 152.6 18.6 -6.5 -30.4 66 73 A G E S-I 87 0C 32 21,-2.9 21,-2.7 -4,-0.1 2,-0.5 -0.650 78.6 -35.1 118.1-168.6 22.0 -8.2 -30.8 67 74 A T E -I 86 0C 69 19,-0.2 19,-0.2 -2,-0.2 18,-0.1 -0.760 62.8-109.6 -96.0 128.4 24.1 -10.9 -29.1 68 75 A V E - 0 0 1 17,-2.9 16,-2.7 -2,-0.5 2,-0.5 -0.337 34.4-167.0 -54.7 132.2 23.9 -11.2 -25.3 69 76 A D E -I 83 0C 16 -12,-0.3 14,-0.2 14,-0.2 13,-0.1 -0.971 13.7-171.5-129.9 111.8 27.2 -10.0 -23.7 70 77 A Y - 0 0 6 12,-3.1 4,-0.2 -2,-0.5 13,-0.1 0.511 55.6 -93.1 -81.3 -3.1 27.7 -10.8 -20.1 71 78 A G > - 0 0 1 11,-0.4 4,-2.7 3,-0.1 5,-0.3 0.367 23.5-113.7 96.3 125.2 30.8 -8.7 -19.8 72 79 A A H > S+ 0 0 14 64,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 116.4 47.2 -56.9 -40.4 34.4 -9.9 -20.3 73 80 A A H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 114.5 46.2 -67.6 -49.1 35.3 -9.3 -16.6 74 81 A H H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.934 112.8 48.8 -58.9 -50.4 32.2 -11.0 -15.3 75 82 A A H X>S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 5,-1.4 0.905 113.2 48.5 -58.5 -43.1 32.4 -14.0 -17.6 76 83 A A H <5S+ 0 0 62 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.888 111.0 50.5 -63.4 -39.6 36.1 -14.5 -16.6 77 84 A K H <5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 120.5 33.2 -66.4 -40.6 35.4 -14.2 -12.9 78 85 A H H <5S- 0 0 47 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.569 105.2-121.5 -99.0 -9.3 32.6 -16.8 -12.9 79 86 A G T <5 + 0 0 63 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.875 67.8 119.8 74.5 37.1 33.9 -19.1 -15.6 80 87 A H S + 0 0 0 -28,-2.6 3,-2.4 -29,-0.2 -1,-0.2 -0.555 54.8 165.9-137.9 69.3 11.8 -2.6 -29.3 92 99 A P G > S+ 0 0 60 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.744 73.1 80.8 -59.1 -20.4 14.3 -1.0 -31.7 93 100 A E G > >S+ 0 0 40 1,-0.3 5,-2.5 2,-0.2 3,-1.7 0.716 77.6 69.9 -53.3 -22.6 12.5 2.3 -30.8 94 101 A L G < 5S+ 0 0 13 -3,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.645 93.1 56.3 -74.3 -13.9 14.7 2.3 -27.6 95 102 A K G < 5S+ 0 0 141 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.364 105.9 52.7 -89.8 3.2 17.6 3.0 -29.9 96 103 A R T < 5S- 0 0 186 -3,-1.7 -2,-0.2 -4,-0.1 -1,-0.2 0.026 133.8 -79.6-127.8 22.0 15.7 6.1 -31.2 97 104 A G T 5S+ 0 0 69 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.454 84.1 142.6 95.3 3.9 14.9 7.8 -27.8 98 105 A G < - 0 0 20 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.291 32.3-155.9 -71.1 159.9 12.0 5.6 -26.8 99 106 A R - 0 0 99 49,-0.1 2,-0.3 -2,-0.0 49,-0.2 -0.883 2.3-149.8-134.3 164.4 11.4 4.6 -23.2 100 107 A I E - c 0 148A 0 47,-2.2 49,-2.4 -2,-0.3 50,-1.2 -0.925 14.6-131.5-134.0 157.4 9.6 1.7 -21.5 101 108 A H E -bc 3 150A 15 -99,-2.6 -97,-2.7 -2,-0.3 2,-0.5 -0.946 26.2-151.4 -99.9 128.9 7.7 0.8 -18.3 102 109 A I E -bc 4 151A 0 48,-2.7 50,-3.0 -2,-0.5 2,-0.5 -0.911 10.0-169.6-103.7 131.0 8.9 -2.4 -16.8 103 110 A I E -bc 5 152A 1 -99,-2.7 -97,-2.3 -2,-0.5 2,-0.4 -0.982 17.8-179.8-116.7 119.8 6.4 -4.4 -14.7 104 111 A A E -bc 6 153A 0 48,-2.9 50,-2.1 -2,-0.5 2,-0.4 -0.944 18.0-152.0-129.5 142.7 8.2 -7.2 -12.9 105 112 A H E > - c 0 154A 2 -99,-2.3 3,-2.1 -2,-0.4 50,-0.2 -0.886 61.7 -28.1-112.2 145.7 7.2 -10.0 -10.5 106 113 A S T > S- 0 0 2 48,-2.6 3,-2.4 -2,-0.4 4,-0.4 -0.195 135.4 -0.8 58.5-136.9 9.3 -11.7 -7.9 107 114 A Q T >> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.698 118.2 83.2 -63.4 -15.3 13.0 -11.6 -8.7 108 115 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.814 84.7 59.6 -47.5 -37.4 12.1 -9.9 -11.9 109 116 A G H <> S+ 0 0 0 -3,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.864 103.6 48.4 -66.5 -34.8 12.1 -6.7 -9.7 110 117 A Q H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.4 -2,-0.2 0.925 113.3 48.7 -65.8 -43.8 15.8 -7.2 -8.8 111 118 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.920 110.3 50.1 -61.2 -44.5 16.6 -7.7 -12.4 112 119 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.932 111.1 48.9 -61.8 -46.4 14.6 -4.6 -13.5 113 120 A R H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.895 112.8 48.3 -57.6 -43.6 16.4 -2.4 -10.9 114 121 A M H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.882 106.9 54.8 -68.1 -38.6 19.8 -3.8 -12.0 115 122 A L H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.930 110.1 47.9 -59.3 -44.4 19.0 -3.2 -15.6 116 123 A V H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.938 111.5 50.0 -58.7 -46.8 18.3 0.5 -14.8 117 124 A S H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.5 0.907 114.1 44.2 -61.1 -43.2 21.5 0.8 -12.7 118 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 3,-0.2 25,-0.3 0.916 113.4 50.9 -69.3 -44.0 23.6 -0.7 -15.6 119 126 A L H < S+ 0 0 2 -4,-3.1 26,-2.4 -5,-0.2 -2,-0.2 0.953 119.2 37.4 -56.7 -49.7 21.9 1.5 -18.2 120 127 A E H < S+ 0 0 25 -4,-3.1 24,-2.8 24,-0.2 -2,-0.2 0.926 136.7 14.2 -68.8 -46.1 22.4 4.6 -16.2 121 128 A N H < S- 0 0 104 -4,-3.0 -3,-0.2 22,-0.3 -2,-0.2 0.601 85.0-154.1-111.4 -14.8 25.9 4.0 -14.7 122 129 A G < - 0 0 8 -4,-2.2 2,-0.4 -5,-0.5 -1,-0.2 -0.333 41.4 -65.0 66.2-156.8 27.4 1.1 -16.7 123 130 A S > - 0 0 18 18,-1.8 4,-2.4 1,-0.1 5,-0.1 -0.966 32.5-162.9-132.1 117.4 30.0 -1.0 -14.9 124 131 A Q H > S+ 0 0 120 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.905 95.2 56.2 -63.4 -42.4 33.3 0.5 -13.9 125 132 A E H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 110.3 43.8 -55.0 -45.6 34.8 -3.0 -13.5 126 133 A E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.901 112.9 52.2 -69.3 -39.4 33.8 -3.9 -17.1 127 134 A R H X S+ 0 0 92 -4,-2.4 4,-1.7 14,-0.2 -2,-0.2 0.935 113.5 43.8 -60.3 -46.5 35.1 -0.5 -18.5 128 135 A E H X S+ 0 0 109 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.912 112.9 51.0 -65.6 -43.9 38.5 -1.0 -16.8 129 136 A Y H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.884 108.1 52.2 -60.6 -38.9 38.8 -4.6 -17.8 130 137 A A H X>S+ 0 0 12 -4,-2.2 5,-1.5 2,-0.2 4,-0.7 0.904 113.1 45.5 -67.9 -38.2 38.0 -3.8 -21.5 131 138 A K H <5S+ 0 0 187 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.918 114.7 47.7 -64.5 -49.1 40.8 -1.2 -21.4 132 139 A A H <5S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.829 122.7 31.8 -63.2 -35.4 43.3 -3.4 -19.6 133 140 A H H <5S- 0 0 109 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.353 102.7-121.9-110.3 4.0 42.8 -6.5 -21.9 134 141 A N T <5 + 0 0 154 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.916 63.6 137.5 50.5 51.2 42.0 -4.7 -25.2 135 142 A V < - 0 0 59 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.809 57.7 -89.7-115.0 164.1 38.6 -6.4 -25.7 136 143 A S - 0 0 74 -2,-0.3 2,-0.4 1,-0.0 -64,-0.3 -0.192 34.9-140.4 -66.0 162.1 35.2 -4.9 -26.8 137 144 A L - 0 0 50 -66,-0.1 5,-0.1 -65,-0.1 -10,-0.0 -0.990 13.1-124.0-128.9 124.4 32.7 -3.4 -24.4 138 145 A S > - 0 0 11 -2,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.370 24.2-123.8 -55.3 138.3 28.9 -3.8 -24.5 139 146 A P G >> S+ 0 0 54 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.816 107.9 73.5 -56.8 -23.8 27.2 -0.4 -24.6 140 147 A L G 34 S+ 0 0 1 1,-0.3 3,-0.2 2,-0.2 -18,-0.2 0.818 96.7 48.7 -57.8 -29.1 25.3 -1.6 -21.5 141 148 A F G <4 S+ 0 0 1 -3,-2.0 -18,-1.8 -19,-0.2 -1,-0.3 0.506 94.5 74.9 -94.8 -1.0 28.5 -1.1 -19.5 142 149 A E T <4 S- 0 0 99 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.865 87.9-143.9 -73.7 -37.6 29.3 2.4 -20.7 143 150 A G < + 0 0 15 -4,-0.7 -22,-0.3 -25,-0.3 -23,-0.2 -0.317 66.2 92.8 90.0 174.3 26.6 4.3 -18.8 144 151 A G + 0 0 50 -24,-2.8 2,-0.4 1,-0.3 -24,-0.2 0.702 55.9 127.5 72.3 24.2 24.5 7.3 -19.9 145 152 A H + 0 0 58 -26,-2.4 -1,-0.3 -27,-0.2 3,-0.1 -0.885 31.1 178.2-110.0 143.1 21.6 5.3 -21.2 146 153 A H + 0 0 93 -2,-0.4 -1,-0.1 -3,-0.1 -26,-0.1 0.111 30.4 128.9-134.8 27.3 18.1 6.2 -20.0 147 154 A F + 0 0 15 -48,-0.1 -47,-2.2 -53,-0.1 2,-0.8 0.579 50.8 86.5 -80.3 -4.3 15.5 4.1 -21.6 148 155 A V E +c 100 0A 3 -49,-0.2 -47,-0.2 1,-0.2 3,-0.1 -0.800 45.8 176.4 -95.4 110.6 13.6 2.8 -18.5 149 156 A L E + 0 0 31 -49,-2.4 107,-2.5 -2,-0.8 2,-0.3 0.861 68.0 3.9 -76.4 -40.1 10.9 5.3 -17.5 150 157 A S E -cd 101 256A 1 -50,-1.2 -48,-2.7 105,-0.2 2,-0.4 -0.993 53.3-155.4-146.2 153.7 9.5 3.2 -14.6 151 158 A V E -cd 102 257A 0 105,-2.5 107,-2.6 -2,-0.3 2,-0.5 -0.992 13.1-171.8-126.7 123.9 10.0 -0.0 -12.7 152 159 A T E -cd 103 258A 0 -50,-3.0 -48,-2.9 -2,-0.4 2,-0.4 -0.962 7.0-162.6-112.1 129.6 7.1 -1.6 -11.0 153 160 A T E -cd 104 259A 0 105,-2.8 107,-2.3 -2,-0.5 2,-0.5 -0.921 4.8-165.1-115.4 142.0 7.8 -4.6 -8.8 154 161 A I E S-cd 105 260A 0 -50,-2.1 -48,-2.6 -2,-0.4 107,-0.2 -0.975 75.1 -18.2-128.9 116.3 5.2 -7.0 -7.6 155 162 A A S S+ 0 0 0 105,-2.3 -1,-0.1 -2,-0.5 106,-0.1 0.842 89.7 167.8 56.0 38.7 6.0 -9.4 -4.7 156 163 A T - 0 0 0 104,-0.4 2,-2.1 162,-0.4 3,-0.2 -0.669 42.0-132.7 -87.9 133.8 9.7 -8.8 -5.2 157 164 A P > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 161,-0.2 -0.492 39.7 162.2 -78.2 71.1 12.2 -10.0 -2.5 158 165 A H T 3 S+ 0 0 0 -2,-2.1 160,-0.1 159,-1.1 88,-0.1 0.817 84.1 31.4 -65.3 -28.0 14.1 -6.7 -2.5 159 166 A D T 3 S- 0 0 3 158,-0.5 -1,-0.3 1,-0.5 84,-0.2 0.080 125.1-106.5-109.4 22.1 15.6 -7.7 0.9 160 167 A G < - 0 0 0 -3,-1.8 -1,-0.5 157,-0.2 2,-0.4 -0.195 32.1 -90.5 86.6-179.8 15.6 -11.4 0.0 161 168 A T > - 0 0 0 76,-2.2 3,-1.2 152,-0.1 78,-0.3 -0.999 14.6-138.1-132.5 143.2 13.4 -14.1 1.3 162 169 A T G > S+ 0 0 0 -2,-0.4 3,-2.3 1,-0.3 4,-0.3 0.632 89.5 91.0 -75.8 -4.8 14.1 -16.3 4.3 163 170 A L G > S+ 0 0 4 149,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.840 75.7 65.4 -53.6 -35.7 12.9 -19.3 2.3 164 171 A V G < S+ 0 0 25 -3,-1.2 -1,-0.3 1,-0.3 5,-0.2 0.726 93.0 62.3 -62.0 -20.1 16.4 -19.8 1.3 165 172 A N G < S+ 0 0 62 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.501 75.8 119.8 -84.1 -4.4 17.3 -20.6 4.9 166 173 A M S X S- 0 0 19 -3,-1.9 3,-1.7 -4,-0.3 4,-0.2 -0.282 74.6-116.2 -66.0 146.2 15.0 -23.7 5.0 167 174 A V T 3 S+ 0 0 135 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.925 111.8 26.6 -54.0 -52.4 16.8 -26.9 5.8 168 175 A D T 3> S+ 0 0 86 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 -0.233 79.4 141.1-106.7 46.3 16.1 -28.7 2.5 169 176 A F H <> + 0 0 6 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.881 66.8 57.9 -55.4 -41.9 15.8 -25.5 0.5 170 177 A T H > S+ 0 0 38 -3,-0.3 4,-1.7 -4,-0.2 -1,-0.2 0.957 113.6 37.3 -55.6 -50.2 17.6 -27.1 -2.5 171 178 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 118.5 49.2 -70.6 -37.8 15.1 -29.9 -2.9 172 179 A R H X S+ 0 0 74 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.860 106.6 56.0 -71.9 -33.6 12.1 -27.8 -2.0 173 180 A F H X S+ 0 0 5 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.929 110.4 44.7 -63.0 -45.2 13.0 -25.0 -4.4 174 181 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.859 109.4 56.2 -67.8 -31.4 13.1 -27.6 -7.3 175 182 A D H X S+ 0 0 47 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.867 105.0 54.2 -63.2 -33.7 9.8 -29.0 -6.0 176 183 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 105.6 50.8 -62.4 -45.7 8.4 -25.5 -6.3 177 184 A Q H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 111.2 49.2 -56.0 -44.0 9.5 -25.5 -10.0 178 185 A K H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.864 107.3 55.0 -63.0 -37.6 7.7 -28.8 -10.4 179 186 A A H X S+ 0 0 26 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.865 108.8 48.0 -63.3 -36.2 4.6 -27.3 -8.7 180 187 A V H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.918 109.5 52.1 -71.8 -41.7 4.6 -24.5 -11.2 181 188 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.6 0.929 108.3 52.9 -55.2 -45.8 5.0 -27.0 -14.1 182 189 A E H ><5S+ 0 0 154 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.867 101.1 59.0 -59.8 -37.7 2.0 -28.9 -12.7 183 190 A A H 3<5S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.9 48.6 -58.9 -33.4 -0.1 -25.7 -12.7 184 191 A A T <<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.258 123.3-108.4 -85.0 10.4 0.6 -25.5 -16.5 185 192 A A T < 5S+ 0 0 91 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.822 77.6 137.4 57.3 35.7 -0.4 -29.3 -16.8 186 193 A V < - 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