==== 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 29-JAN-09 2ZYS . COMPND 2 MOLECULE: LIPASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.K.CHEN,T.P.KO,R.T.GUO,A.H.WANG . 460 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 55 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 5 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 . 3 1 1 2 0 1 3 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 . 1 0 1 1 1 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 20 A E 0 0 198 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 24.8 -4.5 8.0 2 21 A D - 0 0 129 207,-0.1 2,-0.2 29,-0.0 29,-0.0 -0.954 360.0-146.6-128.1 139.7 25.6 -1.0 6.9 3 22 A F - 0 0 31 -2,-0.4 105,-0.1 27,-0.0 206,-0.1 -0.585 8.0-141.1 -98.1 155.4 26.4 2.3 8.6 4 23 A R - 0 0 75 -2,-0.2 107,-0.1 204,-0.1 108,-0.1 -0.916 36.8 -93.5-114.6 142.7 25.5 5.9 7.6 5 24 A P - 0 0 2 0, 0.0 107,-2.5 0, 0.0 2,-0.4 -0.033 34.9-145.0 -51.3 151.3 28.0 8.7 8.2 6 25 A V E -ab 36 112A 1 29,-1.5 31,-2.8 105,-0.2 2,-0.4 -0.969 5.6-157.7-126.1 138.0 27.9 10.8 11.4 7 26 A V E -ab 37 113A 0 105,-2.0 107,-2.5 -2,-0.4 2,-0.5 -0.953 9.0-155.0-115.3 134.1 28.7 14.6 11.7 8 27 A F E -ab 38 114A 1 29,-2.1 31,-3.4 -2,-0.4 2,-0.7 -0.941 4.1-164.0-116.6 126.2 29.8 16.1 15.1 9 28 A V E -ab 39 115A 0 105,-3.1 107,-1.7 -2,-0.5 31,-0.1 -0.889 16.2-142.7-111.9 109.3 29.3 19.7 16.0 10 29 A H - 0 0 0 29,-0.9 3,-0.1 -2,-0.7 6,-0.1 -0.064 12.2-128.3 -65.0 165.8 31.3 20.9 19.0 11 30 A G > - 0 0 3 1,-0.2 3,-1.7 4,-0.2 106,-0.2 -0.101 55.6 -34.2 -98.8-160.7 30.0 23.4 21.6 12 31 A L T 3 S+ 0 0 5 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.381 132.1 0.2 -62.1 129.8 31.5 26.6 22.9 13 32 A A T 3 S+ 0 0 14 223,-0.4 -1,-0.3 1,-0.2 223,-0.1 0.797 112.4 125.3 63.7 25.4 35.3 26.5 23.1 14 33 A G < + 0 0 3 -3,-1.7 2,-0.3 222,-0.2 -1,-0.2 -0.375 35.7 174.0-103.7-168.9 35.1 23.1 21.7 15 34 A S > - 0 0 1 -2,-0.1 3,-1.3 -3,-0.1 4,-0.2 -0.936 57.0 -62.6-175.6-178.1 36.5 21.2 18.7 16 35 A A G > S+ 0 0 1 -2,-0.3 3,-2.7 1,-0.3 293,-0.1 0.751 116.2 81.6 -54.3 -27.2 36.8 17.7 17.1 17 36 A G G >> S+ 0 0 1 1,-0.3 3,-2.8 2,-0.2 4,-0.6 0.883 80.2 60.9 -45.8 -50.0 38.6 16.7 20.3 18 37 A Q G <4 S+ 0 0 9 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.571 112.7 39.6 -57.8 -11.5 35.4 16.2 22.2 19 38 A F G <> S+ 0 0 0 -3,-2.7 4,-1.9 -4,-0.2 -1,-0.3 0.143 88.2 96.7-124.5 20.8 34.5 13.6 19.6 20 39 A E H <> S+ 0 0 20 -3,-2.8 4,-1.0 2,-0.2 286,-0.2 0.865 88.1 42.4 -78.9 -39.0 37.9 11.9 19.2 21 40 A S H X S+ 0 0 2 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.851 114.4 53.8 -75.9 -30.3 37.4 9.0 21.5 22 41 A Q H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.941 104.2 54.6 -66.4 -44.9 33.9 8.6 20.1 23 42 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.836 111.6 45.7 -59.2 -28.8 35.2 8.4 16.6 24 43 A M H X S+ 0 0 10 -4,-1.0 4,-1.7 2,-0.2 195,-0.3 0.748 108.7 54.2 -85.1 -25.9 37.5 5.6 17.8 25 44 A R H < S+ 0 0 4 -4,-1.6 4,-0.5 -3,-0.3 -2,-0.2 0.893 110.8 46.8 -73.4 -37.3 34.7 3.8 19.6 26 45 A F H ><>S+ 0 0 1 -4,-2.6 5,-0.7 1,-0.2 3,-0.6 0.862 108.3 59.9 -68.1 -35.5 32.7 3.8 16.4 27 46 A A H ><5S+ 0 0 13 -4,-1.1 3,-1.7 -5,-0.3 -2,-0.2 0.952 101.3 48.9 -57.3 -56.8 35.7 2.6 14.5 28 47 A A T 3<5S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.620 105.4 62.9 -63.3 -10.7 36.3 -0.7 16.4 29 48 A N T < 5S- 0 0 23 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.3 0.113 129.9 -85.8-102.5 24.6 32.6 -1.4 15.9 30 49 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.1 1,-0.3 3,-0.1 -0.421 85.1 132.1 110.3 -57.6 32.8 -1.6 12.2 31 50 A Y < - 0 0 3 -5,-0.7 -1,-0.3 -2,-0.3 2,-0.2 0.082 66.3-116.3 -30.3 123.5 32.4 2.1 11.2 32 51 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.588 26.6-121.2 -69.3 136.0 35.1 2.8 8.7 33 52 A A G > S+ 0 0 30 1,-0.3 3,-1.4 -2,-0.2 273,-0.1 0.837 107.1 62.8 -44.2 -44.3 37.2 5.5 10.5 34 53 A E G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -7,-0.0 -3,-0.0 0.263 90.0 71.2 -71.7 15.1 36.7 8.1 7.7 35 54 A Y G < S+ 0 0 45 -3,-1.7 -29,-1.5 -12,-0.1 2,-1.3 0.666 72.6 86.5-100.3 -26.0 32.9 8.2 8.3 36 55 A V E < -a 6 0A 6 -3,-1.4 2,-0.3 -4,-0.4 -29,-0.2 -0.683 67.6-172.7 -80.3 94.4 33.0 10.0 11.7 37 56 A K E -a 7 0A 33 -31,-2.8 -29,-2.1 -2,-1.3 2,-0.4 -0.653 12.4-155.7 -92.4 144.9 33.1 13.6 10.5 38 57 A T E -a 8 0A 31 -2,-0.3 2,-0.6 -31,-0.2 -29,-0.2 -0.933 3.7-152.8-118.8 140.7 33.6 16.6 12.8 39 58 A F E -a 9 0A 3 -31,-3.4 -29,-0.9 -2,-0.4 2,-0.3 -0.977 15.8-170.8-115.2 119.1 32.4 20.0 11.9 40 59 A E + 0 0 21 -2,-0.6 2,-0.3 -31,-0.1 -25,-0.1 -0.825 11.5 160.6-110.7 152.9 34.3 22.8 13.5 41 60 A Y - 0 0 6 -2,-0.3 2,-1.5 195,-0.1 3,-0.1 -0.951 51.2 -67.0-157.1 173.9 33.5 26.5 13.5 42 61 A D > - 0 0 53 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.517 41.6-175.1 -74.4 92.4 34.1 29.8 15.2 43 62 A T H > S+ 0 0 0 -2,-1.5 4,-1.2 193,-1.1 194,-0.2 0.701 80.6 54.6 -60.6 -18.3 32.6 29.3 18.6 44 63 A I H > S+ 0 0 0 192,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.927 110.7 40.0 -84.0 -42.0 33.3 32.9 19.5 45 64 A S H > S+ 0 0 24 -3,-0.3 4,-3.0 2,-0.2 5,-0.5 0.807 115.2 55.9 -70.9 -31.1 31.6 34.7 16.6 46 65 A W H X>S+ 0 0 3 -4,-2.1 4,-2.6 3,-0.2 5,-1.9 0.971 110.0 40.9 -65.6 -55.5 28.7 32.2 16.8 47 66 A A H <5S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.879 124.2 40.3 -63.4 -36.8 27.8 32.7 20.5 48 67 A L H <5S+ 0 0 8 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.7 30.9 -79.8 -45.2 28.3 36.4 20.2 49 68 A V H <5S+ 0 0 8 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.785 134.1 16.5 -87.2 -26.8 26.8 37.1 16.8 50 69 A V T ><5S+ 0 0 0 -4,-2.6 3,-0.8 -5,-0.5 -3,-0.2 0.857 113.1 58.4-110.8 -55.8 24.1 34.5 16.5 51 70 A E T 3 S- 0 0 29 -3,-0.8 5,-1.8 1,-0.1 3,-0.4 -0.311 76.5-125.2 -76.7 163.5 19.0 35.6 19.1 54 73 A M T > 5S+ 0 0 159 3,-0.2 3,-1.9 1,-0.2 -1,-0.1 0.475 87.4 103.3 -94.2 2.0 15.7 35.5 20.8 55 74 A L T 3 5S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.786 103.3 12.9 -54.1 -31.5 15.1 32.2 19.2 56 75 A F T > 5S- 0 0 25 -3,-0.4 3,-1.1 -5,-0.1 -1,-0.3 -0.045 123.2 -90.7-131.4 29.9 15.8 30.4 22.5 57 76 A S T < 5S- 0 0 99 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.873 76.4 -64.0 63.0 41.0 15.7 33.6 24.6 58 77 A G T >>4 S+ 0 0 6 -9,-0.6 3,-0.6 -7,-0.2 4,-0.2 0.822 102.1 54.3 -81.7 -31.1 22.9 29.8 23.8 61 80 A S T X> S+ 0 0 7 -10,-1.5 3,-3.9 -3,-0.6 4,-1.8 0.867 75.0 98.2 -67.9 -42.7 25.1 32.9 24.1 62 81 A E H 3X S+ 0 0 82 -4,-1.1 4,-1.1 1,-0.3 -1,-0.2 0.681 89.3 45.7 -13.0 -54.5 25.4 32.9 27.9 63 82 A F H <> S+ 0 0 29 -3,-0.6 4,-1.3 -4,-0.2 -1,-0.3 0.747 109.2 50.0 -72.1 -29.5 28.7 31.1 27.5 64 83 A G H <> S+ 0 0 0 -3,-3.9 4,-1.5 -4,-0.2 -1,-0.2 0.813 104.0 65.5 -76.6 -30.6 30.2 33.2 24.7 65 84 A L H X S+ 0 0 85 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.913 105.0 39.4 -53.0 -55.0 29.3 36.2 26.8 66 85 A N H >< S+ 0 0 48 -4,-1.1 3,-1.4 1,-0.2 4,-0.2 0.948 115.5 51.0 -62.4 -54.2 31.7 35.4 29.8 67 86 A I H >< S+ 0 0 0 -4,-1.3 3,-0.7 1,-0.3 -1,-0.2 0.695 98.4 67.6 -59.6 -24.9 34.6 34.1 27.6 68 87 A S H >< S+ 0 0 13 -4,-1.5 3,-3.9 1,-0.2 -1,-0.3 0.734 73.1 90.7 -68.5 -27.2 34.5 37.3 25.5 69 88 A Q T << S+ 0 0 139 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.1 0.770 80.3 59.6 -36.8 -41.8 35.7 39.5 28.4 70 89 A I T < S+ 0 0 42 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.568 82.7 113.5 -67.6 -12.8 39.3 38.9 27.4 71 90 A I S < S- 0 0 13 -3,-3.9 246,-0.1 1,-0.1 -3,-0.0 -0.394 76.3-112.5 -71.7 141.1 38.7 40.4 24.0 72 91 A D > - 0 0 93 244,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.497 28.9-121.8 -65.5 136.1 40.4 43.6 23.0 73 92 A P H > S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.874 109.9 49.8 -49.1 -49.0 37.7 46.4 22.7 74 93 A E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.957 114.2 44.9 -57.6 -51.5 38.5 47.3 19.1 75 94 A T H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 110.7 52.8 -64.2 -36.1 38.4 43.6 18.0 76 95 A L H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.892 107.9 51.9 -68.4 -36.2 35.1 42.8 19.9 77 96 A D H X S+ 0 0 111 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.977 107.4 53.2 -61.8 -51.0 33.5 45.7 18.2 78 97 A K H < S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.6 48.9 -48.1 -49.2 34.6 44.3 14.9 79 98 A I H >< S+ 0 0 23 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.958 109.5 46.2 -58.8 -59.4 33.0 41.0 15.8 80 99 A L H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 103.5 66.5 -55.5 -31.6 29.5 42.1 16.9 81 100 A S T 3< S+ 0 0 85 -4,-2.0 -1,-0.3 -5,-0.3 2,-0.2 0.247 77.3 111.9 -77.6 16.7 29.2 44.3 13.9 82 101 A K S < S- 0 0 58 -3,-1.8 2,-0.4 1,-0.1 3,-0.0 -0.620 83.4 -94.6 -87.4 152.8 29.2 41.3 11.6 83 102 A S > - 0 0 60 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.507 27.8-151.9 -68.8 120.3 26.0 40.5 9.7 84 103 A R H > S+ 0 0 120 -2,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.918 93.1 45.4 -57.0 -45.7 24.0 37.9 11.7 85 104 A E H >> S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.897 110.0 50.7 -66.0 -46.9 22.3 36.5 8.5 86 105 A R H 3> S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 107.2 54.5 -60.3 -44.4 25.3 36.3 6.3 87 106 A L H 3X S+ 0 0 25 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.715 111.5 46.6 -63.6 -22.2 27.4 34.4 8.9 88 107 A I H X S+ 0 0 39 -4,-2.2 4,-2.1 -5,-0.2 3,-0.7 0.980 102.2 50.7 -67.7 -52.6 26.4 26.4 3.8 94 113 A R H 3X S+ 0 0 99 -4,-2.0 4,-1.5 1,-0.3 -2,-0.2 0.796 109.0 53.7 -55.0 -28.1 29.8 24.8 4.8 95 114 A L H 3X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.3 0.862 106.6 51.1 -75.2 -34.7 27.8 22.2 6.8 96 115 A D H XX S+ 0 0 33 -4,-1.6 4,-2.6 -3,-0.7 3,-1.0 0.999 109.4 49.8 -60.3 -66.5 25.8 21.3 3.7 97 116 A R H 3X S+ 0 0 134 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.800 112.6 49.3 -36.8 -45.1 28.9 20.8 1.6 98 117 A V H 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.884 110.6 47.6 -65.9 -43.7 30.3 18.7 4.4 99 118 A I H S+ 0 0 1 -3,-0.4 4,-1.5 -4,-0.2 5,-0.2 0.945 108.8 36.5 -85.1 -68.2 29.7 12.5 3.1 103 122 A L H >X S+ 0 0 20 -4,-1.9 4,-3.5 1,-0.2 3,-0.9 0.925 118.5 56.1 -46.2 -52.1 26.7 10.7 1.4 104 123 A A H 3< S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.911 109.9 41.4 -48.4 -53.7 28.7 11.0 -1.8 105 124 A E H 3< S+ 0 0 102 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.677 125.0 38.6 -73.6 -12.9 31.8 9.2 -0.6 106 125 A S H << S- 0 0 24 -4,-1.5 -2,-0.2 -3,-0.9 -1,-0.2 0.633 94.7-131.9-109.9 -21.9 29.7 6.6 1.3 107 126 A G < + 0 0 69 -4,-3.5 -3,-0.1 1,-0.3 -4,-0.1 0.333 66.4 122.1 85.1 -9.0 26.8 5.9 -1.1 108 127 A A - 0 0 30 -5,-0.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.193 55.7-146.6 -77.3 177.3 24.2 6.2 1.7 109 128 A D S S+ 0 0 123 1,-0.2 2,-0.4 -3,-0.1 -6,-0.1 0.655 74.4 50.7-116.7 -29.3 21.4 8.7 1.6 110 129 A K - 0 0 90 -7,-0.1 2,-0.3 27,-0.1 27,-0.2 -0.888 62.3-160.1-118.2 144.4 20.9 9.7 5.2 111 130 A V E - c 0 137A 0 25,-1.8 27,-3.4 -2,-0.4 2,-0.5 -0.849 17.6-127.1-118.6 156.8 23.4 10.9 7.9 112 131 A D E -b 6 0A 0 -107,-2.5 -105,-2.0 -2,-0.3 2,-0.4 -0.913 25.0-152.4-103.6 122.3 23.2 11.1 11.7 113 132 A L E -bc 7 140A 0 26,-1.8 28,-3.2 -2,-0.5 2,-0.4 -0.780 7.0-163.9-101.0 139.4 24.0 14.5 13.3 114 133 A V E -bc 8 141A 2 -107,-2.5 -105,-3.1 -2,-0.4 2,-0.4 -0.980 6.1-174.6-124.5 130.0 25.4 15.0 16.8 115 134 A G E -bc 9 142A 0 26,-2.9 28,-3.0 -2,-0.4 2,-0.4 -0.957 4.1-168.3-126.5 142.7 25.4 18.3 18.8 116 135 A H E > - c 0 143A 3 -107,-1.7 3,-3.1 -2,-0.4 28,-0.2 -0.989 55.1 -39.9-133.1 136.8 26.9 19.2 22.1 117 136 A S T >> S+ 0 0 12 26,-2.0 3,-2.5 -2,-0.4 4,-1.1 -0.156 137.3 3.0 48.8-127.1 26.4 22.3 24.2 118 137 A M H 3> S+ 0 0 3 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.798 129.3 71.5 -58.8 -18.4 26.1 25.3 22.1 119 138 A G H <> S+ 0 0 0 -3,-3.1 4,-2.5 2,-0.2 -1,-0.3 0.766 91.2 53.8 -67.2 -25.6 26.4 22.8 19.3 120 139 A T H <> S+ 0 0 0 -3,-2.5 4,-2.6 2,-0.2 5,-0.2 0.969 106.7 51.6 -71.3 -49.4 23.0 21.4 20.0 121 140 A F H X S+ 0 0 4 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.834 111.0 52.3 -52.6 -32.1 21.6 24.9 19.6 122 141 A F H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.997 107.4 46.7 -66.9 -65.5 23.5 24.9 16.4 123 142 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.862 111.0 53.9 -43.3 -49.0 22.1 21.7 14.9 124 143 A V H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.941 105.6 49.8 -58.0 -52.3 18.5 22.6 15.7 125 144 A R H < S+ 0 0 29 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.912 116.9 48.9 -49.7 -39.6 18.6 26.0 14.0 126 145 A Y H >< S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 4,-0.2 0.927 107.7 46.4 -65.9 -58.4 20.1 24.0 11.1 127 146 A V H 3< S+ 0 0 2 -4,-3.1 3,-0.4 1,-0.2 7,-0.4 0.743 116.3 48.6 -61.9 -21.8 17.7 21.1 10.8 128 147 A N T 3< S+ 0 0 92 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.421 87.0 88.9 -97.5 3.4 14.7 23.5 11.0 129 148 A S S < S- 0 0 52 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.608 105.1 -26.5 -75.0 -12.0 16.1 25.9 8.4 130 149 A S > - 0 0 39 -3,-0.4 4,-1.1 -4,-0.2 -1,-0.2 -0.966 59.2-102.7 176.7 173.7 14.5 24.1 5.5 131 150 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.904 109.6 63.6 -82.0 -46.0 13.1 20.7 4.3 132 151 A E H > S+ 0 0 121 1,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.716 108.3 44.9 -50.8 -27.5 16.0 19.7 2.0 133 152 A R H >4 S+ 0 0 43 2,-0.2 3,-1.3 1,-0.1 -1,-0.2 0.940 108.9 51.2 -83.5 -55.5 18.2 19.6 5.1 134 153 A A H >< S+ 0 0 27 -4,-1.1 3,-0.6 -7,-0.4 -2,-0.2 0.678 106.6 63.7 -54.8 -14.4 15.8 17.7 7.5 135 154 A A H 3< S+ 0 0 55 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.898 96.2 51.9 -77.0 -43.4 15.7 15.3 4.6 136 155 A K T << S+ 0 0 55 -3,-1.3 -25,-1.8 -4,-0.7 2,-0.5 0.134 94.1 94.8 -82.0 21.5 19.3 14.3 4.6 137 156 A V E < +c 111 0A 2 -3,-0.6 -25,-0.2 -27,-0.2 3,-0.1 -0.955 45.0 179.9-123.5 123.9 19.2 13.4 8.3 138 157 A A E S- 0 0 4 -27,-3.4 2,-0.3 -2,-0.5 -26,-0.2 0.969 73.4 -9.8 -78.6 -62.1 18.5 10.0 9.7 139 158 A H E - 0 0 32 -28,-0.4 -26,-1.8 16,-0.1 2,-0.4 -0.957 61.9-140.5-138.1 156.1 18.7 10.7 13.5 140 159 A L E -cd 113 157A 0 16,-3.1 18,-2.2 -2,-0.3 2,-0.5 -0.976 9.2-161.9-124.0 127.4 19.7 13.7 15.7 141 160 A I E -cd 114 158A 0 -28,-3.2 -26,-2.9 -2,-0.4 2,-0.7 -0.919 1.6-167.4-112.0 124.4 21.6 13.5 19.0 142 161 A L E -cd 115 159A 1 16,-3.6 18,-0.9 -2,-0.5 2,-0.6 -0.757 9.6-157.9-115.7 91.8 21.6 16.5 21.4 143 162 A L E -cd 116 160A 0 -28,-3.0 -26,-2.0 -2,-0.7 -23,-0.2 -0.531 60.4 -45.5 -77.5 115.9 24.2 16.2 24.1 144 163 A D S S+ 0 0 0 16,-3.3 -1,-0.2 -2,-0.6 17,-0.1 0.746 112.1 92.8 34.3 50.0 23.7 18.2 27.3 145 164 A G + 0 0 0 -3,-0.5 -1,-0.1 1,-0.4 -27,-0.1 0.115 69.4 24.5-126.0-117.7 22.7 21.4 25.6 146 165 A V + 0 0 2 -29,-0.5 -1,-0.4 -3,-0.1 2,-0.3 -0.172 57.6 163.4 -58.1 145.0 19.4 22.8 24.6 147 166 A W + 0 0 62 1,-0.1 31,-0.2 -3,-0.1 3,-0.1 -0.950 46.4 63.8-155.7 156.9 16.2 21.7 26.4 148 167 A G S S+ 0 0 33 29,-2.5 2,-0.3 1,-0.4 30,-0.2 0.837 86.1 90.1 88.5 34.1 12.8 23.3 26.5 149 168 A V E S-f 178 0B 45 28,-0.7 30,-1.1 -3,-0.1 2,-0.4 -0.978 79.8 -98.4-155.1 160.9 11.9 22.9 22.9 150 169 A D E -f 179 0B 107 -2,-0.3 30,-0.1 28,-0.2 3,-0.1 -0.720 43.8-113.2 -87.9 134.8 10.3 20.4 20.5 151 170 A A - 0 0 18 28,-1.5 3,-0.1 -2,-0.4 -1,-0.1 -0.186 52.7 -71.7 -60.0 155.3 12.7 18.2 18.6 152 171 A P > - 0 0 8 0, 0.0 3,-1.3 0, 0.0 2,-0.3 -0.119 62.5 -86.7 -53.3 148.6 12.7 18.8 14.8 153 172 A E T 3 S- 0 0 181 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 -0.364 101.5 -8.9 -61.2 117.2 9.8 17.6 12.8 154 173 A G T 3 S+ 0 0 84 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.626 105.5 113.9 73.9 13.4 9.7 14.0 11.5 155 174 A I S < S- 0 0 12 -3,-1.3 -1,-0.2 -4,-0.0 -16,-0.1 -0.948 73.6-111.8-127.3 113.8 13.3 13.4 12.6 156 175 A P - 0 0 61 0, 0.0 -16,-3.1 0, 0.0 2,-0.4 -0.074 38.9-156.4 -44.5 115.3 14.2 11.0 15.4 157 176 A T E +d 140 0A 6 23,-0.3 25,-1.9 -18,-0.2 2,-0.4 -0.800 19.5 179.7-109.2 142.8 15.5 12.8 18.2 158 177 A L E +de 141 182A 2 -18,-2.2 -16,-3.6 -2,-0.4 2,-0.4 -0.997 4.3 178.0-135.2 129.5 17.7 11.9 21.0 159 178 A A E -de 142 183A 0 23,-2.5 25,-1.8 -2,-0.4 2,-0.4 -0.983 7.6-165.7-136.8 123.6 18.8 14.2 23.8 160 179 A V E -de 143 184A 0 -18,-0.9 -16,-3.3 -2,-0.4 2,-0.4 -0.911 6.7-161.6-112.3 138.3 21.0 13.2 26.7 161 180 A F E - 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0 0 112 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 -0.915 68.3-139.3-151.3 118.8 13.7 18.8 34.2 176 195 A K + 0 0 13 -2,-0.3 2,-0.4 -3,-0.2 -15,-0.1 -0.688 38.6 167.8 -76.2 121.7 15.8 19.1 31.1 177 196 A V - 0 0 21 -2,-0.6 -29,-2.5 -17,-0.0 2,-0.9 -0.968 37.2-160.8-145.9 130.2 13.5 17.8 28.3 178 197 A V E > -f 149 0B 2 -2,-0.4 3,-0.7 -31,-0.2 -28,-0.2 -0.909 47.3-116.8-105.0 102.0 13.6 17.9 24.6 179 198 A Y E 3 S+f 150 0B 108 -30,-1.1 -28,-1.5 -2,-0.9 3,-0.1 0.003 85.2 8.4 -44.1 134.9 9.9 17.2 23.9 180 199 A N T 3 S+ 0 0 159 1,-0.3 -23,-0.3 -30,-0.1 2,-0.3 0.818 108.3 107.9 66.1 32.1 8.7 14.1 22.1 181 200 A A S < S- 0 0 25 -3,-0.7 2,-0.9 -25,-0.1 -1,-0.3 -0.782 81.9 -87.7-134.2-177.5 12.1 12.6 22.2 182 201 A T E -e 158 0A 75 -25,-1.9 -23,-2.5 -2,-0.3 2,-0.5 -0.781 46.7-166.5 -95.0 114.8 14.1 10.0 23.7 183 202 A N E -e 159 0A 36 -2,-0.9 2,-0.4 -25,-0.2 -23,-0.2 -0.900 10.0-179.9-106.9 137.1 15.5 11.5 26.8 184 203 A V E -e 160 0A 36 -25,-1.8 -23,-2.6 -2,-0.5 2,-0.4 -0.997 8.2-162.9-133.9 128.3 18.3 9.9 28.7 185 204 A Y E -e 161 0A 104 -2,-0.4 2,-0.5 -25,-0.2 -23,-0.2 -0.933 15.7-174.2-121.8 138.0 19.8 11.3 31.9 186 205 A F E > +e 162 0A 40 -25,-2.6 3,-1.2 -2,-0.4 -23,-0.6 -0.928 4.4 179.9-123.5 97.4 23.1 10.6 33.6 187 206 A N T 3 S+ 0 0 70 -2,-0.5 -25,-0.1 1,-0.2 -1,-0.1 0.393 81.1 63.0 -79.6 3.8 22.9 12.6 36.8 188 207 A N T 3 S+ 0 0 83 167,-0.0 2,-0.3 166,-0.0 -1,-0.2 0.217 92.5 78.4-111.3 14.9 26.4 11.2 37.6 189 208 A M < - 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