==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-09 2ZYH . COMPND 2 MOLECULE: LIPASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.K.CHEN,T.P.KO,R.T.GUO,A.H.WANG . 912 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 12.3 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 76 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 6 1 2 2 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 9 4 5 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 . 7 2 0 6 0 2 6 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 4 0 0 0 2 0 0 0 1 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 20 A E 0 0 154 0, 0.0 30,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0-117.9 76.3 62.7 69.5 2 21 A D + 0 0 151 2,-0.1 2,-0.3 0, 0.0 29,-0.1 -0.346 360.0 113.7-111.3 47.4 73.1 63.5 71.3 3 22 A F - 0 0 32 27,-0.1 105,-0.1 103,-0.1 206,-0.0 -0.791 59.4-135.5-116.0 157.5 71.6 60.1 70.4 4 23 A R - 0 0 97 -2,-0.3 107,-0.1 1,-0.1 -2,-0.1 -0.832 36.0 -95.9-107.3 153.8 70.6 57.0 72.6 5 24 A P - 0 0 1 0, 0.0 107,-2.3 0, 0.0 2,-0.4 -0.221 34.0-146.5 -67.3 154.6 71.5 53.4 71.6 6 25 A V E -ab 36 112A 0 29,-2.5 31,-2.9 105,-0.2 2,-0.4 -0.986 7.4-160.9-125.3 139.4 68.9 51.3 69.8 7 26 A V E -ab 37 113A 0 105,-2.4 107,-2.6 -2,-0.4 2,-0.4 -0.982 6.2-157.0-123.3 125.2 68.5 47.4 70.2 8 27 A F E -ab 38 114A 1 29,-2.2 31,-2.3 -2,-0.4 2,-0.5 -0.859 3.8-164.2-104.5 138.2 66.6 45.2 67.6 9 28 A V E -ab 39 115A 0 105,-2.5 107,-1.7 -2,-0.4 31,-0.1 -0.982 16.6-145.4-123.6 118.1 65.0 41.8 68.3 10 29 A H - 0 0 1 29,-0.6 3,-0.1 -2,-0.5 2,-0.1 -0.076 10.1-120.2 -75.6 174.4 64.1 39.5 65.2 11 30 A G > - 0 0 4 1,-0.2 3,-2.1 107,-0.2 -1,-0.1 -0.219 54.4 -36.9-105.0-163.8 61.3 37.1 64.6 12 31 A L T 3 S+ 0 0 29 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.303 130.0 1.3 -62.0 131.7 60.8 33.4 63.8 13 32 A A T 3 S+ 0 0 22 223,-0.3 -1,-0.3 1,-0.2 223,-0.1 0.657 112.0 120.6 63.1 18.6 63.6 32.1 61.5 14 33 A G < - 0 0 7 -3,-2.1 2,-0.2 222,-0.2 222,-0.2 -0.337 38.0-179.5-101.7-175.4 65.2 35.6 61.5 15 34 A S > - 0 0 2 -2,-0.1 3,-1.6 -3,-0.1 -4,-0.1 -0.910 54.3 -66.9-165.5-175.7 68.6 37.1 62.5 16 35 A A G > S+ 0 0 0 1,-0.3 3,-2.0 -2,-0.2 4,-0.4 0.663 112.8 86.3 -61.3 -14.6 70.5 40.5 62.7 17 36 A G G > S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.755 76.9 63.0 -59.2 -27.4 70.4 40.5 58.9 18 37 A Q G < S+ 0 0 16 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.506 108.7 41.6 -77.1 -2.5 66.9 42.1 58.9 19 38 A F G <> S+ 0 0 0 -3,-2.0 4,-2.8 288,-0.2 -1,-0.2 0.304 85.9 98.9-121.2 7.4 68.4 45.3 60.6 20 39 A E H <> S+ 0 0 10 -3,-0.7 4,-1.7 -4,-0.4 286,-0.1 0.958 88.1 40.6 -60.8 -52.0 71.6 45.4 58.5 21 40 A S H > S+ 0 0 11 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.886 114.6 53.5 -64.9 -39.0 70.3 48.1 56.1 22 41 A Q H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 105.9 54.1 -63.9 -39.0 68.6 50.1 58.9 23 42 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.923 107.4 49.7 -59.9 -42.9 71.9 50.2 60.9 24 43 A M H X S+ 0 0 20 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.843 110.4 51.5 -63.8 -32.5 73.7 51.7 57.9 25 44 A R H X S+ 0 0 7 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.899 107.9 50.9 -70.3 -42.1 70.9 54.4 57.6 26 45 A F H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.9 0.939 112.0 47.6 -59.5 -46.7 71.1 55.4 61.3 27 46 A A H ><5S+ 0 0 15 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.850 105.2 58.6 -62.0 -39.3 74.9 55.8 60.9 28 47 A A H 3<5S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 106.7 51.3 -63.5 -18.1 74.5 57.9 57.7 29 48 A N T <<5S- 0 0 27 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.090 134.1 -80.9-104.6 18.1 72.4 60.3 59.8 30 49 A G T < 5S+ 0 0 41 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.296 82.5 132.9 109.4 -13.0 74.9 60.8 62.7 31 50 A Y < - 0 0 6 -5,-1.9 2,-0.4 1,-0.1 -1,-0.3 -0.495 64.7-113.5 -73.4 141.8 74.7 57.8 65.0 32 51 A P > - 0 0 34 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.644 32.0-127.2 -68.3 131.1 78.0 56.2 66.0 33 52 A A G > S+ 0 0 14 -2,-0.4 3,-1.6 1,-0.3 -6,-0.1 0.832 106.9 63.3 -52.6 -35.5 77.6 52.7 64.3 34 53 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -7,-0.0 -3,-0.0 0.576 87.3 73.4 -67.8 -7.2 78.4 50.9 67.5 35 54 A Y G < S+ 0 0 36 -3,-2.7 -29,-2.5 1,-0.1 2,-0.7 0.572 81.4 79.8 -80.6 -9.9 75.2 52.5 69.1 36 55 A V E < +a 6 0A 5 -3,-1.6 2,-0.3 -4,-0.3 -29,-0.2 -0.884 67.1 176.5-103.4 112.1 73.0 50.1 67.0 37 56 A K E -a 7 0A 44 -31,-2.9 -29,-2.2 -2,-0.7 2,-0.3 -0.748 17.7-152.2-113.8 158.5 72.9 46.7 68.6 38 57 A T E -a 8 0A 30 -2,-0.3 2,-0.5 -31,-0.2 -29,-0.2 -0.946 4.8-150.1-129.3 152.0 71.0 43.4 67.9 39 58 A F E -a 9 0A 3 -31,-2.3 -29,-0.6 -2,-0.3 2,-0.3 -0.986 17.5-166.9-123.4 119.1 69.9 40.5 70.2 40 59 A E + 0 0 18 -2,-0.5 2,-0.3 -31,-0.1 -25,-0.1 -0.839 11.9 165.0-111.3 147.8 69.8 37.1 68.7 41 60 A Y - 0 0 6 -2,-0.3 2,-0.8 195,-0.1 198,-0.0 -0.952 46.3 -83.0-153.1 165.1 68.2 33.9 70.1 42 61 A D > - 0 0 58 -2,-0.3 4,-1.7 1,-0.2 195,-0.2 -0.673 37.9-173.0 -79.4 109.3 67.0 30.3 69.2 43 62 A T H > S+ 0 0 0 193,-1.9 4,-2.1 -2,-0.8 5,-0.2 0.688 76.8 61.8 -78.4 -22.1 63.5 30.8 67.7 44 63 A I H > S+ 0 0 7 192,-0.3 4,-2.0 2,-0.2 5,-0.2 0.964 111.0 37.9 -68.3 -55.4 62.6 27.1 67.4 45 64 A S H >>S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.6 0.898 116.8 53.1 -62.6 -40.6 62.8 26.5 71.2 46 65 A W H X>S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 5,-1.9 0.951 111.5 45.0 -61.8 -47.6 61.2 30.0 72.0 47 66 A A H <5S+ 0 0 0 -4,-2.1 8,-0.3 3,-0.2 -1,-0.2 0.927 119.0 41.2 -61.2 -47.2 58.2 29.3 69.7 48 67 A L H <5S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 126.0 31.7 -71.0 -35.4 57.5 25.8 71.0 49 68 A V H <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.861 134.8 19.6 -91.6 -42.1 58.1 26.3 74.7 50 69 A V T << + 0 0 11 -5,-1.9 4,-2.0 1,-0.2 3,-0.2 -0.169 64.7 133.6-104.5 42.6 54.7 30.9 72.3 52 71 A T H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.844 72.4 59.3 -58.2 -31.9 52.8 27.7 71.8 53 72 A D H 4 S+ 0 0 118 -3,-0.3 4,-0.4 1,-0.2 6,-0.3 0.939 107.1 41.7 -59.0 -56.6 49.6 29.8 71.7 54 73 A M H >4 S+ 0 0 7 1,-0.2 6,-1.8 2,-0.2 3,-0.5 0.858 111.7 58.9 -59.8 -39.9 50.6 31.9 68.7 55 74 A L H 3< S+ 0 0 4 -4,-2.0 9,-0.5 -8,-0.3 3,-0.2 0.835 120.8 22.1 -62.5 -39.9 52.0 28.8 66.9 56 75 A F T 3< S+ 0 0 133 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.101 123.2 56.2-118.9 21.0 48.8 26.8 66.9 57 76 A S S < S- 0 0 71 -3,-0.5 2,-3.0 -4,-0.4 -1,-0.2 -0.263 104.6-110.9-146.1 50.8 46.3 29.7 67.2 58 77 A G S S+ 0 0 57 3,-0.3 -4,-0.1 1,-0.2 -3,-0.1 0.137 87.1 114.9 45.4 -20.8 47.1 32.0 64.3 59 78 A L S S+ 0 0 85 -2,-3.0 -1,-0.2 -6,-0.3 -5,-0.1 0.878 97.3 19.8 -43.1 -31.3 48.5 34.9 66.4 60 79 A G S S- 0 0 28 -6,-1.8 -5,-0.1 1,-0.2 2,-0.1 0.082 102.0 -80.0-110.0-139.5 51.5 33.7 64.3 61 80 A S - 0 0 47 -2,-0.0 3,-0.4 106,-0.0 -3,-0.3 -0.057 49.7 -68.7-112.6-149.1 51.9 31.7 61.2 62 81 A E S > S+ 0 0 97 1,-0.2 4,-0.7 2,-0.1 -7,-0.1 -0.064 90.9 102.0-101.5 24.6 52.0 28.2 59.6 63 82 A F T >4 S+ 0 0 11 2,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.897 76.9 63.4 -73.8 -38.9 55.2 27.0 61.2 64 83 A G G >> S+ 0 0 5 -9,-0.5 3,-1.2 -3,-0.4 4,-0.5 0.898 98.9 54.3 -47.0 -44.6 53.0 25.0 63.6 65 84 A L G 34 S+ 0 0 128 1,-0.3 -1,-0.3 -10,-0.2 4,-0.2 0.810 113.7 42.4 -60.9 -30.8 51.7 23.1 60.6 66 85 A N G << S+ 0 0 25 -3,-1.3 -1,-0.3 -4,-0.7 4,-0.2 -0.220 89.5 87.1-114.2 44.5 55.3 22.2 59.7 67 86 A I T <> S+ 0 0 4 -3,-1.2 4,-2.1 3,-0.1 -1,-0.1 0.800 91.7 42.9-102.6 -48.5 56.9 21.3 63.0 68 87 A S T < S+ 0 0 77 -4,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.786 115.7 53.4 -68.5 -27.4 56.0 17.7 63.3 69 88 A Q T 4 S+ 0 0 132 -4,-0.2 -1,-0.2 335,-0.1 -2,-0.1 0.837 120.2 28.7 -77.0 -33.5 56.9 17.4 59.6 70 89 A I T 4 S+ 0 0 46 -4,-0.2 2,-0.3 334,-0.1 -2,-0.2 0.925 106.9 66.0 -93.5 -56.7 60.4 18.9 60.0 71 90 A I S < S- 0 0 3 -4,-2.1 246,-0.1 -5,-0.1 -1,-0.1 -0.537 90.8-104.4 -78.7 133.8 61.8 18.2 63.5 72 91 A D >> - 0 0 92 244,-0.3 4,-2.5 -2,-0.3 3,-0.8 -0.347 29.4-124.7 -55.8 118.7 62.5 14.7 64.6 73 92 A P H 3> S+ 0 0 87 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.617 110.9 47.0 -39.3 -24.8 59.7 13.5 67.0 74 93 A E H 3> S+ 0 0 150 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.873 109.7 50.2 -86.1 -47.1 62.3 12.6 69.6 75 94 A T H <> S+ 0 0 25 -3,-0.8 4,-2.4 1,-0.3 5,-0.2 0.880 108.3 55.9 -57.2 -39.9 64.2 15.9 69.3 76 95 A L H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.881 104.9 51.8 -62.1 -38.5 60.9 17.6 69.7 77 96 A D H X S+ 0 0 106 -4,-0.6 4,-0.9 -5,-0.3 -2,-0.2 0.905 108.4 50.6 -67.3 -38.6 60.4 15.7 73.0 78 97 A K H >< S+ 0 0 134 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.922 112.0 47.8 -63.0 -43.8 63.8 16.9 74.3 79 98 A I H >< S+ 0 0 13 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.933 111.0 50.6 -61.8 -46.5 62.9 20.5 73.4 80 99 A L H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.633 99.3 66.0 -68.7 -14.0 59.4 20.3 75.0 81 100 A S T << S+ 0 0 97 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.538 77.4 108.6 -84.2 -8.2 60.9 18.9 78.2 82 101 A K S < S- 0 0 93 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.0 -0.402 81.6-106.0 -67.4 147.5 62.7 22.2 78.9 83 102 A S > - 0 0 62 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.624 21.8-150.5 -76.2 128.6 61.3 24.3 81.8 84 103 A R H > S+ 0 0 107 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.939 95.5 48.0 -64.9 -49.5 59.3 27.4 80.5 85 104 A E H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 113.6 51.0 -60.1 -33.7 60.0 29.7 83.5 86 105 A R H > S+ 0 0 167 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 109.8 46.8 -70.1 -44.0 63.6 28.7 83.3 87 106 A L H X S+ 0 0 36 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.936 113.9 49.3 -65.5 -43.7 63.9 29.5 79.5 88 107 A I H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.966 113.5 46.4 -58.7 -53.1 62.1 32.9 80.0 89 108 A D H X S+ 0 0 99 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.918 113.6 46.0 -57.3 -49.8 64.4 33.8 82.9 90 109 A E H X S+ 0 0 120 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.871 114.7 47.3 -65.0 -35.0 67.7 32.9 81.4 91 110 A T H X S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.2 3,-0.2 0.937 111.9 48.9 -73.5 -42.5 67.0 34.6 78.0 92 111 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.868 107.7 56.0 -64.3 -36.0 65.7 37.9 79.6 93 112 A S H X S+ 0 0 44 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.858 105.1 52.9 -67.5 -30.1 68.8 38.0 81.8 94 113 A R H X S+ 0 0 97 -4,-1.2 4,-1.5 -3,-0.2 -2,-0.2 0.913 107.9 49.3 -69.4 -41.6 71.0 37.8 78.6 95 114 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.897 105.2 60.7 -63.6 -35.6 69.1 40.8 77.0 96 115 A D H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.915 103.9 49.4 -53.7 -44.9 69.6 42.7 80.4 97 116 A R H X S+ 0 0 149 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.844 108.8 51.6 -66.5 -34.1 73.4 42.4 79.9 98 117 A V H X S+ 0 0 38 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.926 113.2 45.3 -69.8 -40.0 73.2 43.7 76.3 99 118 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 3,-0.3 0.964 112.0 50.6 -67.6 -49.0 71.2 46.7 77.4 100 119 A D H X S+ 0 0 71 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.871 109.9 50.9 -57.3 -37.1 73.5 47.5 80.5 101 120 A E H X S+ 0 0 131 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.863 109.0 50.8 -70.5 -34.2 76.6 47.3 78.2 102 121 A A H X S+ 0 0 2 -4,-1.5 4,-1.8 -3,-0.3 6,-0.3 0.902 110.9 49.4 -67.4 -42.6 75.0 49.8 75.7 103 122 A L H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.959 112.2 47.3 -63.0 -45.5 74.2 52.2 78.5 104 123 A A H < S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.9 49.3 -63.5 -37.2 77.8 52.0 80.0 105 124 A E H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 122.1 31.2 -70.9 -33.2 79.4 52.5 76.6 106 125 A S H < S- 0 0 26 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.637 95.7-126.9 -99.8 -19.8 77.2 55.6 75.6 107 126 A G < + 0 0 62 -4,-2.5 -3,-0.1 1,-0.2 -4,-0.1 0.434 62.0 141.1 84.2 -2.3 76.6 57.3 79.0 108 127 A A - 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0 0 8 -2,-0.3 2,-0.9 195,-0.1 195,-0.0 -0.942 46.1 -84.2-152.8 164.5 26.1 75.2 69.2 499 61 B D > - 0 0 54 -2,-0.3 4,-1.7 1,-0.2 195,-0.2 -0.689 39.3-172.0 -76.9 105.0 26.9 78.9 68.3 500 62 B T H > S+ 0 0 0 193,-1.9 4,-2.1 -2,-0.9 5,-0.2 0.724 76.5 61.4 -74.6 -22.1 30.3 78.7 66.5 501 63 B I H > S+ 0 0 4 192,-0.4 4,-2.1 2,-0.2 5,-0.2 0.974 111.3 38.5 -71.1 -51.9 30.9 82.4 66.3 502 64 B S H >>S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.900 115.3 54.1 -65.9 -36.8 30.9 82.9 70.1 503 65 B W H X>S+ 0 0 4 -4,-1.7 5,-2.1 1,-0.2 4,-1.9 0.939 111.6 44.5 -63.1 -43.6 32.8 79.6 70.6 504 66 B A H <5S+ 0 0 0 -4,-2.1 8,-0.2 3,-0.2 -2,-0.2 0.922 119.3 39.9 -64.0 -46.1 35.6 80.5 68.3 505 67 B L H <5S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.765 126.5 32.0 -77.5 -27.8 36.1 84.1 69.6 506 68 B V H <5S+ 0 0 16 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.793 133.7 18.1-100.9 -35.8 35.6 83.5 73.3 507 69 B V T << + 0 0 8 -5,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.097 63.2 128.2 -95.9 41.0 39.2 78.8 70.9 509 71 B T H > S+ 0 0 53 -2,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.864 70.2 59.3 -59.9 -36.6 41.5 81.9 70.4 510 72 B D H > S+ 0 0 138 -3,-0.4 4,-0.5 1,-0.2 6,-0.2 0.949 112.4 40.4 -56.8 -48.4 44.8 79.9 70.6 511 73 B M H >4>S+ 0 0 8 2,-0.2 5,-2.1 1,-0.2 3,-0.7 0.927 116.3 49.5 -66.0 -46.3 43.6 77.8 67.6 512 74 B L H ><5S+ 0 0 9 -4,-2.4 3,-0.9 -8,-0.2 5,-0.3 0.951 115.7 39.8 -63.0 -48.2 42.1 80.7 65.7 513 75 B F H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.365 109.2 57.3 -89.7 9.1 45.1 83.0 65.9 514 76 B S T <<5S- 0 0 77 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.304 113.9-113.1-111.9 4.9 47.9 80.6 65.4 515 77 B G T < 5S+ 0 0 61 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.827 77.6 129.8 70.8 33.1 46.4 79.5 62.1 516 78 B L S S+ 0 0 139 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.070 80.6 119.6 -92.4 25.2 40.8 81.6 58.2 520 82 B F G > + 0 0 7 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.841 66.5 64.4 -58.5 -32.7 37.7 83.2 60.0 521 83 B G G > S+ 0 0 18 -3,-0.5 3,-0.6 1,-0.2 -1,-0.3 0.775 90.8 64.6 -64.4 -25.1 40.1 85.2 62.1 522 84 B L G < S+ 0 0 123 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.750 111.3 33.6 -70.8 -22.8 41.4 87.1 59.1 523 85 B N G X> S+ 0 0 30 -3,-1.2 4,-1.4 -4,-0.5 3,-1.0 0.245 76.7 120.3-119.8 14.6 38.0 88.8 58.4 524 86 B I H X> S+ 0 0 23 -3,-0.6 4,-1.9 -4,-0.4 3,-0.5 0.873 77.1 48.8 -45.9 -52.7 36.4 89.3 61.8 525 87 B S H 34 S+ 0 0 95 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.744 112.7 46.3 -67.7 -22.7 36.1 93.1 61.6 526 88 B Q H <4 S+ 0 0 134 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.666 116.8 44.7 -89.8 -18.2 34.5 93.1 58.1 527 89 B I H << S+ 0 0 21 -4,-1.4 2,-0.4 -3,-0.5 -2,-0.2 0.722 112.2 48.3 -95.7 -29.0 32.0 90.3 59.0 528 90 B I S < S- 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 246,-0.1 -0.966 85.3-119.8-119.4 129.0 30.7 91.4 62.4 529 91 B D > - 0 0 75 -2,-0.4 4,-2.3 244,-0.3 3,-0.2 -0.336 30.3-110.8 -66.5 149.8 29.6 95.0 63.3 530 92 B P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.860 112.4 44.1 -48.1 -54.9 31.5 96.9 66.0 531 93 B E H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.868 114.6 52.1 -65.1 -33.4 29.0 97.1 68.8 532 94 B T H > S+ 0 0 36 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 107.9 50.7 -67.2 -40.2 28.0 93.4 68.3 533 95 B L H X S+ 0 0 29 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.933 108.2 52.9 -64.9 -42.5 31.6 92.2 68.4 534 96 B D H X S+ 0 0 109 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.915 108.8 50.7 -58.9 -43.7 32.2 94.1 71.7 535 97 B K H < S+ 0 0 139 -4,-1.8 4,-0.4 2,-0.2 3,-0.3 0.922 111.1 47.2 -60.2 -44.1 29.1 92.4 73.2 536 98 B I H >< S+ 0 0 12 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.960 111.8 50.0 -62.4 -50.1 30.3 88.9 72.2 537 99 B L H 3< S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.694 102.8 62.7 -65.5 -14.7 33.9 89.5 73.5 538 100 B S T 3< S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.570 78.2 112.5 -87.0 -7.7 32.4 90.7 76.9 539 101 B K S < S- 0 0 90 -3,-1.8 2,-0.5 -4,-0.4 -3,-0.0 -0.287 81.0-100.9 -62.7 149.1 30.8 87.3 77.6 540 102 B S > - 0 0 47 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.623 27.3-157.2 -73.2 119.3 32.2 85.3 80.6 541 103 B R H > S+ 0 0 109 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.937 91.9 49.6 -63.0 -47.4 34.5 82.6 79.2 542 104 B E H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 112.6 47.6 -58.4 -43.5 34.2 80.3 82.3 543 105 B R H > S+ 0 0 158 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.888 109.9 52.2 -64.7 -43.9 30.4 80.6 82.2 544 106 B L H X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.932 112.6 45.4 -61.2 -45.4 30.2 79.8 78.5 545 107 B I H X S+ 0 0 21 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.923 114.2 49.2 -61.9 -46.9 32.3 76.7 78.8 546 108 B D H X S+ 0 0 91 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.946 114.7 42.1 -62.1 -49.3 30.4 75.5 81.9 547 109 B E H X S+ 0 0 120 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.865 115.7 48.9 -66.8 -37.5 26.9 76.0 80.5 548 110 B T H X S+ 0 0 15 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.938 112.7 46.3 -70.8 -46.3 27.7 74.5 77.0 549 111 B F H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.840 109.0 56.9 -64.0 -32.0 29.4 71.3 78.5 550 112 B S H X S+ 0 0 47 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.884 104.8 52.4 -66.4 -34.7 26.5 70.8 80.9 551 113 B R H X S+ 0 0 100 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.911 108.7 48.8 -66.0 -41.3 24.1 70.7 77.9 552 114 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.888 105.3 60.3 -64.2 -36.5 26.2 68.0 76.2 553 115 B D H X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.885 106.6 46.9 -53.7 -41.9 26.2 66.1 79.6 554 116 B R H X S+ 0 0 150 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.837 108.7 52.5 -73.6 -35.0 22.4 66.0 79.3 555 117 B V H X S+ 0 0 40 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.905 112.7 46.5 -65.7 -40.9 22.3 64.8 75.7 556 118 B I H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 111.0 50.5 -68.0 -44.8 24.7 62.0 76.6 557 119 B D H X S+ 0 0 71 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.871 109.7 51.5 -61.6 -37.0 22.7 60.9 79.8 558 120 B E H X S+ 0 0 137 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.907 109.5 49.3 -65.7 -43.9 19.5 60.8 77.8 559 121 B A H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 6,-0.3 0.889 110.1 51.6 -64.3 -37.5 21.0 58.6 75.1 560 122 B L H X S+ 0 0 24 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.895 112.5 45.8 -66.8 -37.1 22.4 56.2 77.8 561 123 B A H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.877 112.7 49.8 -73.3 -36.8 18.9 55.9 79.4 562 124 B E H < S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.842 121.4 32.9 -70.1 -33.4 17.2 55.4 76.0 563 125 B S H < S- 0 0 24 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.643 97.0-128.0 -97.7 -20.3 19.5 52.6 74.9 564 126 B G < + 0 0 63 -4,-1.7 -3,-0.1 1,-0.2 -4,-0.1 0.444 61.2 142.1 83.0 -1.6 20.4 50.9 78.2 565 127 B A - 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