==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-APR-10 2XDA . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR S.PAZ,L.TIZON,J.M.OTERO,A.L.LLAMAS-SAIZ,G.C.FOX,M.J.VAN RAAI . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 9 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 31 0, 0.0 45,-3.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 128.0 17.0 2.2 43.1 2 2 A K E -ab 46 70A 45 67,-0.6 69,-2.7 43,-0.2 70,-1.1 -0.900 360.0-167.1 -87.6 124.1 17.6 5.4 41.0 3 3 A I E -ab 47 72A 0 43,-2.4 45,-2.4 -2,-0.6 2,-0.5 -0.981 8.9-148.1-115.8 124.3 14.7 5.7 38.5 4 4 A L E -ab 48 73A 0 68,-2.5 70,-2.7 -2,-0.5 2,-0.6 -0.789 5.7-159.3 -93.2 128.1 15.1 8.2 35.7 5 5 A V E -ab 49 74A 0 43,-3.3 45,-2.4 -2,-0.5 2,-0.5 -0.929 9.9-167.6-109.7 110.1 11.9 9.8 34.4 6 6 A I E -ab 50 75A 0 68,-2.7 70,-2.4 -2,-0.6 2,-0.5 -0.882 3.2-168.5-104.8 126.9 12.4 11.2 30.9 7 7 A Q E -ab 51 76A 0 43,-2.9 45,-2.3 -2,-0.5 3,-0.1 -0.963 14.2-152.1-118.5 124.6 9.7 13.5 29.5 8 8 A G > - 0 0 0 68,-2.8 3,-1.7 -2,-0.5 4,-0.4 0.206 40.1 -25.2 -87.8-159.3 9.9 14.4 25.8 9 9 A P T 3 S+ 0 0 11 0, 0.0 70,-0.4 0, 0.0 -1,-0.2 -0.174 123.9 1.3 -59.7 137.4 8.9 17.2 23.5 10 10 A N T > S+ 0 0 112 -3,-0.1 3,-2.0 68,-0.1 4,-0.1 0.162 92.6 114.0 76.2 -11.8 6.0 19.4 24.5 11 11 A L G X + 0 0 15 -3,-1.7 3,-1.9 1,-0.3 16,-0.2 0.778 66.9 68.1 -60.1 -30.9 5.4 17.6 27.9 12 12 A N G 3 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 15,-0.2 0.671 92.9 60.6 -61.8 -15.2 6.5 20.8 29.7 13 13 A M G X> S+ 0 0 91 -3,-2.0 3,-1.9 13,-0.1 4,-1.4 0.396 75.9 131.5 -89.1 0.6 3.3 22.5 28.4 14 14 A L T <4 S+ 0 0 10 -3,-1.9 13,-0.6 1,-0.3 14,-0.2 -0.247 74.1 15.0 -58.4 136.9 1.1 19.9 30.2 15 15 A G T 34 S+ 0 0 20 8,-0.7 -1,-0.3 2,-0.5 11,-0.2 0.132 121.1 67.8 85.7 -19.6 -1.7 21.5 32.2 16 16 A H T <4 S+ 0 0 127 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.685 101.0 39.1-102.1 -26.0 -1.2 24.8 30.4 17 17 A R S < S+ 0 0 177 -4,-1.4 -2,-0.5 1,-0.2 -1,-0.2 -0.948 116.8 0.4-130.8 149.5 -2.3 23.9 26.8 18 18 A D >> + 0 0 80 -2,-0.3 4,-2.5 1,-0.1 3,-0.7 0.854 63.0 173.6 41.7 58.0 -5.1 21.7 25.4 19 19 A P H 3> + 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.775 69.9 67.6 -64.1 -27.0 -6.6 20.7 28.7 20 20 A R H 34 S+ 0 0 234 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.932 115.6 24.9 -56.6 -47.1 -9.5 19.0 27.0 21 21 A L H <4 S+ 0 0 68 -3,-0.7 -1,-0.2 2,-0.1 -3,-0.1 0.841 137.3 27.0 -87.6 -39.2 -7.2 16.3 25.6 22 22 A Y H < S- 0 0 73 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.460 102.9-127.4-110.9 -2.7 -4.3 16.3 28.1 23 23 A G < - 0 0 26 -4,-1.9 -8,-0.7 -5,-0.4 -1,-0.2 -0.161 23.8 -80.4 86.4-177.5 -5.9 17.5 31.3 24 24 A M S S+ 0 0 156 -10,-0.1 2,-0.5 -4,-0.1 -1,-0.2 0.314 88.5 106.6-111.2 3.2 -5.2 20.3 33.8 25 25 A V - 0 0 49 -3,-0.3 -9,-0.1 -6,-0.1 -10,-0.1 -0.773 65.0-135.8 -88.8 128.0 -2.4 18.6 35.9 26 26 A T > - 0 0 27 -2,-0.5 4,-2.1 -11,-0.2 -11,-0.2 -0.263 19.3-110.3 -79.6 166.5 1.0 20.1 35.1 27 27 A L H > S+ 0 0 11 -13,-0.6 4,-2.3 -16,-0.2 5,-0.1 0.918 120.0 52.6 -61.0 -43.4 4.2 18.2 34.6 28 28 A D H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 108.5 52.2 -60.4 -39.1 5.6 19.4 37.9 29 29 A Q H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 106.9 51.6 -65.1 -40.1 2.5 18.2 39.6 30 30 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 109.8 50.6 -60.3 -44.6 2.9 14.7 38.1 31 31 A H H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 110.1 48.5 -62.9 -39.9 6.4 14.6 39.4 32 32 A E H X S+ 0 0 130 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.906 110.8 52.3 -65.4 -41.2 5.3 15.6 42.9 33 33 A I H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.880 108.1 50.7 -58.6 -41.3 2.6 12.9 42.7 34 34 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 110.6 49.4 -63.8 -43.9 5.2 10.3 41.7 35 35 A Q H X S+ 0 0 67 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.937 110.3 50.5 -58.3 -48.0 7.4 11.4 44.7 36 36 A T H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.864 106.5 55.3 -58.8 -38.6 4.4 11.1 47.0 37 37 A F H X S+ 0 0 76 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.903 113.4 41.7 -59.6 -41.7 3.8 7.6 45.7 38 38 A V H <>S+ 0 0 8 -4,-1.9 5,-2.7 2,-0.2 4,-0.5 0.933 117.6 45.8 -69.7 -49.0 7.3 6.6 46.6 39 39 A K H ><5S+ 0 0 158 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.926 115.5 45.0 -63.1 -48.2 7.4 8.4 50.0 40 40 A Q H 3<5S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 116.2 47.9 -68.6 -30.7 4.0 7.2 51.1 41 41 A G T 3<5S- 0 0 43 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.545 104.6-131.7 -79.5 -6.0 4.9 3.7 49.9 42 42 A N T < 5 + 0 0 142 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.887 45.3 172.4 46.9 43.9 8.3 3.9 51.7 43 43 A L < - 0 0 56 -5,-2.7 2,-1.8 -6,-0.1 -1,-0.2 -0.538 42.4-124.8 -80.7 146.0 9.8 2.7 48.4 44 44 A D + 0 0 127 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.585 67.8 131.0 -90.1 71.4 13.6 2.7 48.2 45 45 A V - 0 0 13 -2,-1.8 2,-0.6 -10,-0.1 -43,-0.2 -0.994 46.0-162.3-132.5 131.1 13.5 4.8 45.1 46 46 A E E -a 2 0A 94 -45,-3.3 -43,-2.4 -2,-0.4 2,-0.3 -0.960 20.6-152.8-108.7 115.6 15.3 7.9 44.1 47 47 A L E -a 3 0A 16 -2,-0.6 2,-0.4 -45,-0.2 -43,-0.2 -0.673 10.5-169.7 -86.5 135.9 13.5 9.7 41.2 48 48 A E E -a 4 0A 39 -45,-2.4 -43,-3.3 -2,-0.3 2,-0.4 -0.998 11.7-155.7-119.5 130.3 15.4 11.9 38.8 49 49 A F E +a 5 0A 59 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.854 15.3 173.5-109.8 139.9 13.2 14.0 36.4 50 50 A F E -a 6 0A 46 -45,-2.4 -43,-2.9 -2,-0.4 2,-0.4 -0.965 5.5-176.5-146.4 122.4 14.3 15.3 33.0 51 51 A Q E +a 7 0A 51 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.967 14.0 156.9-118.2 143.9 12.3 17.0 30.4 52 52 A T - 0 0 4 -45,-2.3 -41,-0.2 -2,-0.4 -2,-0.0 -0.989 42.2-147.8-160.0 151.6 13.5 18.1 27.0 53 53 A N S S+ 0 0 74 -2,-0.3 2,-0.5 -44,-0.2 -45,-0.1 0.322 77.5 95.7 -95.6 4.4 12.3 19.0 23.4 54 54 A F > - 0 0 129 1,-0.1 4,-1.8 -46,-0.0 3,-0.4 -0.865 60.6-157.0-105.4 121.2 15.6 17.6 21.9 55 55 A E H > S+ 0 0 76 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.894 99.0 53.7 -51.2 -46.0 15.9 14.1 20.6 56 56 A G H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.829 105.0 53.6 -64.3 -34.5 19.7 14.3 21.1 57 57 A E H > S+ 0 0 83 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.851 108.1 50.4 -69.7 -34.2 19.3 15.3 24.8 58 58 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 112.9 45.9 -63.9 -44.7 17.1 12.2 25.4 59 59 A I H X S+ 0 0 32 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.952 112.2 50.6 -66.6 -46.3 19.7 10.0 23.8 60 60 A D H X S+ 0 0 102 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.908 112.8 48.3 -54.9 -43.6 22.5 11.7 25.8 61 61 A K H X S+ 0 0 22 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.890 109.3 50.6 -66.7 -44.2 20.5 11.1 29.0 62 62 A I H < S+ 0 0 3 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.905 112.6 47.4 -60.0 -39.7 19.8 7.5 28.2 63 63 A Q H >< S+ 0 0 117 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.833 103.2 61.8 -70.7 -36.0 23.5 6.9 27.6 64 64 A E H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 94.2 66.7 -50.6 -39.5 24.3 8.8 30.8 65 65 A S T 3< + 0 0 6 -4,-1.3 2,-2.0 -3,-0.2 -1,-0.3 0.576 66.6 105.1 -66.7 -13.5 22.3 6.0 32.5 66 66 A V S < S+ 0 0 107 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.1 -0.536 71.3 84.5 -64.6 86.8 25.0 3.4 31.6 67 67 A G S S- 0 0 32 -2,-2.0 3,-0.0 3,-0.4 -3,-0.0 -0.974 95.7 -95.3-178.7 162.7 26.1 3.4 35.2 68 68 A S S S+ 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 0.622 112.0 70.1 -66.9 -15.0 25.8 2.0 38.7 69 69 A D S S+ 0 0 84 1,-0.1 -67,-0.6 -68,-0.1 2,-0.3 0.998 95.7 45.9 -65.9 -63.2 23.6 5.1 39.5 70 70 A Y E +b 2 0A 15 -5,-0.2 -3,-0.4 -6,-0.2 -67,-0.2 -0.652 49.6 177.0 -98.8 135.5 20.4 4.4 37.5 71 71 A E E + 0 0 79 -69,-2.7 2,-0.3 -2,-0.3 -68,-0.2 0.669 66.9 5.5-109.9 -22.1 18.6 1.1 37.4 72 72 A G E -b 3 0A 0 -70,-1.1 -68,-2.5 24,-0.2 2,-0.4 -0.993 56.8-137.6-158.2 163.1 15.6 1.9 35.2 73 73 A I E -bc 4 98A 4 24,-2.4 26,-2.4 -2,-0.3 2,-0.5 -0.977 2.2-164.3-124.2 135.3 13.9 4.5 33.0 74 74 A I E -bc 5 99A 0 -70,-2.7 -68,-2.7 -2,-0.4 2,-0.4 -0.984 28.2-175.3-109.2 123.1 10.3 5.6 32.7 75 75 A I E -bc 6 100A 0 24,-3.3 26,-2.4 -2,-0.5 -68,-0.2 -0.982 32.5-175.2-129.6 135.0 9.9 7.5 29.4 76 76 A N E -b 7 0A 7 -70,-2.4 -68,-2.8 -2,-0.4 -65,-0.1 -0.892 13.5-175.5-116.0 99.4 7.2 9.5 27.6 77 77 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.428 20.0-156.1 -77.3 2.9 9.0 10.3 24.3 78 78 A G T > - 0 0 14 1,-0.3 3,-2.2 -70,-0.2 4,-0.3 -0.234 68.8 -10.6 57.5-140.3 6.0 12.4 23.1 79 79 A A T >> S+ 0 0 43 -70,-0.4 3,-1.4 1,-0.3 4,-0.6 0.747 127.1 73.9 -64.7 -22.8 5.9 12.7 19.4 80 80 A F H <> S+ 0 0 39 -3,-1.5 4,-2.8 1,-0.3 3,-0.4 0.690 79.0 77.5 -64.0 -19.6 9.4 11.2 19.0 81 81 A S H <4 S+ 0 0 0 -3,-2.2 36,-1.6 1,-0.2 37,-1.1 0.887 100.3 40.2 -50.0 -41.4 7.7 7.8 19.9 82 82 A H H <4 S+ 0 0 21 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.624 129.2 26.2 -89.0 -14.7 6.4 7.7 16.3 83 83 A T H < S+ 0 0 95 -4,-0.6 2,-1.3 -3,-0.4 -2,-0.2 0.703 90.9 94.8-120.2 -31.6 9.5 9.0 14.5 84 84 A S X + 0 0 2 -4,-2.8 4,-2.1 1,-0.2 5,-0.1 -0.527 23.9 160.4 -90.3 89.6 12.7 8.3 16.5 85 85 A I H > S+ 0 0 89 -2,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.851 82.3 61.4 -60.9 -34.0 14.5 5.2 15.5 86 86 A A H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 105.9 43.0 -61.9 -47.2 17.5 6.8 17.2 87 87 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 112.5 54.7 -65.1 -40.4 15.8 6.9 20.6 88 88 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 109.3 47.4 -57.9 -44.0 14.5 3.4 20.0 89 89 A D H X S+ 0 0 81 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.893 109.5 53.2 -62.3 -42.4 18.1 2.2 19.4 90 90 A A H X S+ 0 0 8 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.902 110.3 48.4 -60.7 -40.7 19.3 4.0 22.5 91 91 A I H >X S+ 0 0 6 -4,-2.5 3,-0.8 2,-0.2 4,-0.6 0.936 110.9 49.7 -63.5 -48.3 16.6 2.2 24.5 92 92 A M H >< S+ 0 0 124 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.898 114.7 45.6 -56.8 -40.8 17.6 -1.1 23.0 93 93 A L H 3< S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.643 90.7 84.1 -80.0 -12.2 21.2 -0.4 23.8 94 94 A A H << S- 0 0 15 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.808 76.4-153.1 -64.7 -32.0 20.5 0.8 27.4 95 95 A G << + 0 0 72 -3,-0.6 -1,-0.1 -4,-0.6 -3,-0.1 0.822 62.3 93.8 60.9 30.5 20.5 -2.8 28.8 96 96 A K S S- 0 0 60 -5,-0.4 -1,-0.2 -30,-0.0 -24,-0.2 -0.954 90.1 -77.9-143.4 157.1 18.2 -1.7 31.7 97 97 A P - 0 0 25 0, 0.0 -24,-2.4 0, 0.0 2,-0.4 -0.369 46.8-173.5 -60.6 133.6 14.4 -1.8 32.0 98 98 A V E -c 73 0A 6 -26,-0.2 25,-1.8 23,-0.1 26,-0.9 -0.999 6.2-165.7-129.9 132.4 12.6 0.9 30.2 99 99 A I E -cd 74 124A 8 -26,-2.4 -24,-3.3 -2,-0.4 2,-0.4 -0.965 11.2-145.0-118.2 131.7 8.9 1.6 30.4 100 100 A E E -cd 75 125A 1 24,-2.3 26,-2.5 -2,-0.4 2,-0.4 -0.837 15.8-170.1 -98.4 133.8 7.0 3.8 27.9 101 101 A V E - d 0 126A 0 -26,-2.4 2,-0.4 -2,-0.4 26,-0.2 -0.974 7.6-175.6-121.7 135.4 4.1 5.9 29.1 102 102 A H E - d 0 127A 9 24,-2.4 26,-1.2 -2,-0.4 27,-0.6 -0.995 22.1-147.8-123.6 138.7 1.6 7.9 27.1 103 103 A L S S+ 0 0 14 -2,-0.4 27,-2.3 24,-0.2 2,-0.2 0.910 86.6 46.7 -62.0 -45.9 -1.0 10.1 28.6 104 104 A T S S- 0 0 19 24,-0.1 2,-1.1 25,-0.1 24,-0.6 -0.491 96.6-100.8 -97.5 163.6 -3.4 9.4 25.8 105 105 A N > - 0 0 67 22,-0.2 3,-2.0 23,-0.2 -2,-0.1 -0.773 31.3-167.2 -83.7 99.9 -4.3 6.2 24.0 106 106 A I T 3 S+ 0 0 7 -2,-1.1 3,-0.3 1,-0.3 -1,-0.1 0.470 84.3 63.8 -73.5 -3.6 -2.2 6.3 20.9 107 107 A Q T 3 S+ 0 0 141 1,-0.1 -1,-0.3 7,-0.0 7,-0.1 0.555 102.5 51.4 -81.2 -14.7 -4.2 3.5 19.4 108 108 A A S < S+ 0 0 75 -3,-2.0 -2,-0.2 5,-0.1 -1,-0.1 0.059 103.0 61.2-114.7 19.4 -7.3 5.8 19.4 109 109 A R S S- 0 0 54 1,-0.3 5,-0.1 -3,-0.3 -3,-0.1 -0.226 98.7 -20.5-121.4-146.9 -6.0 8.9 17.7 110 110 A E > - 0 0 78 1,-0.1 3,-2.0 -2,-0.1 4,-0.4 -0.288 61.8-116.2 -62.2 151.7 -4.5 9.8 14.3 111 111 A E G > S+ 0 0 141 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.844 113.3 64.1 -56.8 -34.7 -3.1 7.0 12.2 112 112 A F G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.632 97.6 56.4 -70.6 -12.0 0.4 8.6 12.4 113 113 A R G < S+ 0 0 46 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.534 85.9 80.8 -91.4 -5.1 0.4 8.1 16.2 114 114 A K S < S+ 0 0 107 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.1 0.866 76.5 76.6 -73.7 -34.4 -0.1 4.4 16.0 115 115 A N - 0 0 75 -4,-0.5 2,-0.3 -3,-0.1 3,-0.1 -0.584 57.1-179.5 -76.9 132.4 3.5 3.4 15.3 116 116 A S > + 0 0 18 -2,-0.3 4,-2.0 1,-0.1 -34,-0.2 -0.815 12.2 176.6-131.3 96.9 5.8 3.6 18.3 117 117 A Y H > S+ 0 0 96 -36,-1.6 4,-0.8 -2,-0.3 -35,-0.1 0.896 88.6 48.4 -57.2 -42.8 9.4 2.7 17.5 118 118 A T H >> S+ 0 0 0 -37,-1.1 4,-1.2 1,-0.2 3,-0.8 0.916 108.7 52.4 -67.7 -41.4 10.3 3.5 21.1 119 119 A G H 34 S+ 0 0 8 1,-0.3 3,-0.4 -38,-0.2 -1,-0.2 0.875 104.5 56.1 -63.1 -36.5 7.5 1.5 22.5 120 120 A A H 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.746 109.0 48.4 -64.3 -27.5 8.6 -1.6 20.5 121 121 A A H << S+ 0 0 28 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.673 98.9 86.0 -85.2 -24.3 12.0 -1.2 22.1 122 122 A C S < S- 0 0 13 -4,-1.2 -23,-0.2 -3,-0.4 3,-0.1 -0.396 81.8-126.6 -75.9 152.5 10.6 -0.9 25.6 123 123 A G S S+ 0 0 85 -25,-1.8 2,-0.3 1,-0.2 -24,-0.2 0.932 90.7 3.1 -60.4 -43.6 9.8 -3.9 27.9 124 124 A G E -d 99 0A 30 -26,-0.9 -24,-2.3 2,-0.0 2,-0.4 -0.950 62.5-147.4-145.0 163.0 6.3 -2.5 28.4 125 125 A V E -d 100 0A 64 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.998 5.6-169.3-136.6 138.5 4.0 0.2 27.4 126 126 A I E +d 101 0A 25 -26,-2.5 -24,-2.4 -2,-0.4 2,-0.3 -0.990 18.5 168.7-126.8 126.8 1.2 2.0 29.3 127 127 A M E +d 102 0A 42 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.999 46.3 25.0-144.5 141.9 -1.2 4.4 27.5 128 128 A G S S+ 0 0 39 -26,-1.2 -23,-0.2 -24,-0.6 -25,-0.2 0.483 81.6 101.3 98.8 7.0 -4.4 6.2 28.1 129 129 A F S > S- 0 0 106 -27,-0.6 3,-1.0 1,-0.3 -25,-0.1 0.269 72.0-142.2-101.9 8.5 -4.5 6.7 31.9 130 130 A G T > S- 0 0 19 -27,-2.3 3,-2.3 1,-0.2 4,-0.4 -0.241 70.8 -14.6 56.2-147.6 -3.4 10.3 32.0 131 131 A P T >> S+ 0 0 39 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.792 129.3 71.6 -57.9 -31.1 -1.0 11.2 34.8 132 132 A L H X> S+ 0 0 97 -3,-1.0 4,-2.2 1,-0.3 3,-0.6 0.806 82.5 73.6 -54.4 -31.0 -1.9 7.9 36.6 133 133 A G H <> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.828 91.0 55.6 -52.1 -34.5 0.1 6.1 34.0 134 134 A Y H <> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.2 0.864 107.5 47.8 -69.9 -37.1 3.3 7.3 35.5 135 135 A N H