==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-JAN-03 1J2Y . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR B.I.LEE,J.E.KWAK,S.W.SUH . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 15.2 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 . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 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 63 0, 0.0 45,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 72.1 80.8 -43.7 95.0 2 2 A K E -ab 46 70A 95 67,-2.1 69,-2.9 43,-0.2 70,-0.8 -0.532 360.0-163.5 -74.1 127.1 81.2 -41.2 92.3 3 3 A I E -ab 47 72A 2 43,-1.5 45,-2.0 -2,-0.3 2,-0.4 -0.954 14.9-142.4-111.1 113.6 84.1 -38.8 92.6 4 4 A L E -ab 48 73A 0 68,-2.3 70,-2.5 -2,-0.6 2,-0.6 -0.621 10.9-160.8 -79.9 132.1 83.7 -35.8 90.3 5 5 A V E -ab 49 74A 0 43,-2.2 45,-2.4 -2,-0.4 2,-0.6 -0.935 9.3-170.4-117.2 107.0 86.9 -34.5 88.8 6 6 A I E -ab 50 75A 0 68,-1.8 70,-2.5 -2,-0.6 2,-0.5 -0.881 5.0-165.4-107.1 120.5 86.7 -31.0 87.5 7 7 A Q E -ab 51 76A 0 43,-2.7 45,-1.9 -2,-0.6 5,-0.1 -0.864 14.7-139.9-103.6 130.5 89.4 -29.4 85.4 8 8 A G > - 0 0 0 68,-2.8 3,-1.0 -2,-0.5 70,-0.2 0.042 44.2 -46.7 -74.6-170.2 89.5 -25.7 84.9 9 9 A P G > S+ 0 0 11 0, 0.0 2,-2.5 0, 0.0 3,-0.8 0.782 119.0 12.5 -25.0-129.6 90.3 -23.7 81.7 10 10 A N G > S+ 0 0 83 1,-0.3 3,-0.6 2,-0.1 7,-0.1 0.217 91.8 109.8 -49.2 19.1 93.3 -24.4 79.5 11 11 A L G X S+ 0 0 8 -2,-2.5 3,-0.7 -3,-1.0 16,-0.3 0.683 71.4 60.0 -72.8 -15.9 93.9 -27.7 81.2 12 12 A N G < S+ 0 0 68 -3,-0.8 15,-0.3 1,-0.2 -1,-0.2 0.768 96.4 61.7 -79.7 -27.3 92.8 -29.6 78.1 13 13 A M G X> + 0 0 93 -3,-0.6 3,-2.6 -4,-0.1 4,-0.8 0.231 69.8 139.2 -84.3 14.9 95.6 -27.9 76.1 14 14 A L T <4 + 0 0 11 -3,-0.7 13,-0.3 1,-0.3 10,-0.1 -0.424 62.8 47.7 -57.8 133.3 98.2 -29.5 78.3 15 15 A G T 34 S+ 0 0 46 8,-0.2 -1,-0.3 11,-0.1 11,-0.1 -0.033 106.8 56.8 120.6 -29.8 100.9 -30.5 75.8 16 16 A H T <4 S+ 0 0 156 -3,-2.6 -2,-0.2 2,-0.1 -3,-0.1 0.515 92.9 91.5-103.6 -15.0 100.9 -27.1 74.0 17 17 A R S < S- 0 0 66 -4,-0.8 -2,-0.0 1,-0.2 -3,-0.0 -0.212 100.7 -58.4 -74.8 169.7 101.7 -25.4 77.3 18 18 A D >> - 0 0 77 1,-0.2 4,-2.2 2,-0.1 3,-1.2 -0.234 39.3-149.3 -51.2 124.0 105.2 -24.7 78.5 19 19 A P T 34 S+ 0 0 88 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.661 97.3 64.8 -72.0 -10.1 107.1 -27.9 78.9 20 20 A R T 34 S+ 0 0 215 2,-0.1 -2,-0.1 3,-0.1 4,-0.1 0.657 115.1 25.5 -83.6 -17.4 109.0 -26.2 81.7 21 21 A L T <4 S+ 0 0 74 -3,-1.2 -1,-0.1 2,-0.2 -3,-0.0 0.793 139.6 19.4-108.4 -53.1 105.9 -25.9 83.8 22 22 A Y S < S- 0 0 30 -4,-2.2 3,-0.4 1,-0.3 -2,-0.1 0.247 91.1-153.5-105.4 8.2 103.5 -28.7 82.8 23 23 A G - 0 0 19 -5,-0.4 2,-0.5 -4,-0.3 -1,-0.3 -0.149 49.5 -42.8 54.3-145.1 106.1 -30.9 81.1 24 24 A M S S+ 0 0 155 -5,-0.1 2,-0.3 -10,-0.1 -1,-0.2 -0.745 94.3 112.5-122.5 81.4 104.8 -33.2 78.3 25 25 A V - 0 0 41 -2,-0.5 2,-0.3 -3,-0.4 -3,-0.0 -0.992 52.4-133.5-149.0 146.6 101.5 -34.8 79.5 26 26 A T > - 0 0 52 -2,-0.3 4,-1.9 -11,-0.1 5,-0.3 -0.722 29.8-110.6-103.9 155.6 97.9 -34.5 78.4 27 27 A L T 4 S+ 0 0 13 -15,-0.3 4,-0.5 -13,-0.3 -1,-0.1 0.623 120.5 52.7 -55.1 -12.6 94.8 -34.0 80.5 28 28 A D T > S+ 0 0 112 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.898 102.1 52.1 -90.2 -49.1 94.0 -37.6 79.4 29 29 A Q H > S+ 0 0 91 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.838 113.6 48.1 -55.1 -33.1 97.2 -39.4 80.4 30 30 A I H X S+ 0 0 4 -4,-1.9 4,-1.2 2,-0.2 -1,-0.3 0.815 109.1 52.9 -77.5 -30.6 96.7 -37.8 83.8 31 31 A H H > S+ 0 0 19 -4,-0.5 4,-0.5 -5,-0.3 -2,-0.2 0.852 110.0 48.6 -71.9 -34.3 93.1 -38.8 83.9 32 32 A E H X S+ 0 0 111 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.788 105.1 57.0 -77.4 -26.7 94.1 -42.4 83.2 33 33 A I H < S+ 0 0 58 -4,-1.2 4,-0.4 2,-0.3 -1,-0.2 0.821 102.9 54.7 -72.3 -28.7 96.8 -42.4 85.9 34 34 A M H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.766 112.3 47.2 -70.4 -22.0 94.1 -41.5 88.3 35 35 A Q H X S+ 0 0 70 -4,-0.5 4,-3.9 2,-0.2 3,-0.4 0.965 108.3 49.1 -78.9 -60.2 92.5 -44.6 86.9 36 36 A T H X S+ 0 0 77 -4,-3.3 4,-0.6 1,-0.3 5,-0.2 0.553 112.9 55.9 -56.6 -6.0 95.5 -46.9 87.1 37 37 A F H > S+ 0 0 65 -4,-0.4 4,-1.8 -5,-0.2 -1,-0.3 0.861 114.9 31.2 -92.8 -48.0 95.6 -45.6 90.6 38 38 A V H <>S+ 0 0 11 -4,-1.5 5,-1.2 -3,-0.4 -2,-0.2 0.706 120.8 56.2 -80.8 -21.5 92.1 -46.5 91.8 39 39 A K H <5S+ 0 0 140 -4,-3.9 -3,-0.2 3,-0.1 -2,-0.2 0.939 113.5 39.2 -72.2 -49.6 92.3 -49.5 89.4 40 40 A Q H <5S+ 0 0 147 -4,-0.6 2,-1.1 -5,-0.3 -2,-0.2 1.000 115.0 50.1 -63.1 -73.7 95.5 -50.7 91.1 41 41 A G T <5S- 0 0 22 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 -0.563 102.7-122.7 -69.6 101.7 94.7 -49.9 94.8 42 42 A N T 5 + 0 0 147 -2,-1.1 2,-0.4 2,-0.1 -3,-0.1 -0.276 51.6 155.8 -53.1 97.7 91.2 -51.6 94.8 43 43 A L < - 0 0 61 -5,-1.2 2,-3.9 -2,-0.7 -2,-0.0 -0.968 46.7-131.9-130.1 111.5 89.0 -48.6 95.9 44 44 A D + 0 0 118 -2,-0.4 2,-0.5 2,-0.1 -2,-0.1 -0.235 63.3 130.7 -64.0 64.3 85.3 -48.8 94.9 45 45 A V - 0 0 11 -2,-3.9 2,-0.8 -7,-0.2 -43,-0.2 -0.969 42.9-163.2-123.8 115.3 85.4 -45.3 93.6 46 46 A E E -a 2 0A 91 -45,-0.9 -43,-1.5 -2,-0.5 2,-0.4 -0.882 19.2-160.5 -96.9 111.3 84.0 -44.6 90.1 47 47 A L E -a 3 0A 17 -2,-0.8 2,-0.3 -45,-0.2 -43,-0.2 -0.808 5.1-152.8-102.2 138.1 85.4 -41.2 89.2 48 48 A E E -a 4 0A 54 -45,-2.0 -43,-2.2 -2,-0.4 2,-0.4 -0.784 8.8-139.8-104.8 148.0 84.0 -38.9 86.5 49 49 A F E +a 5 0A 60 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.2 -0.894 23.5 167.5-113.4 137.0 85.9 -36.4 84.4 50 50 A F E +a 6 0A 44 -45,-2.4 -43,-2.7 -2,-0.4 2,-0.4 -0.965 4.7 177.8-148.5 127.7 84.7 -32.9 83.4 51 51 A Q E +a 7 0A 46 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.2 -0.996 6.1 165.0-136.5 133.3 86.7 -30.0 81.9 52 52 A T - 0 0 4 -45,-1.9 -41,-0.2 -2,-0.4 -2,-0.0 -0.979 39.9-147.0-145.8 159.9 85.6 -26.6 80.8 53 53 A N S S+ 0 0 76 -2,-0.3 2,-0.4 -45,-0.1 -43,-0.1 0.204 80.8 94.8-103.2 7.6 86.9 -23.2 79.9 54 54 A F > - 0 0 126 1,-0.2 4,-1.2 -45,-0.1 -2,-0.1 -0.850 64.1-154.9-105.4 136.8 83.7 -21.7 81.3 55 55 A E H > S+ 0 0 76 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.877 100.8 54.9 -71.8 -35.2 83.4 -20.4 84.9 56 56 A G H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 101.9 51.7 -65.2 -43.5 79.7 -21.2 84.4 57 57 A E H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 110.0 52.4 -63.1 -35.3 80.0 -24.8 83.4 58 58 A I H X S+ 0 0 0 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.950 109.6 47.2 -64.1 -49.3 82.1 -25.4 86.5 59 59 A I H X S+ 0 0 33 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.940 113.3 48.8 -59.2 -47.3 79.6 -23.8 88.9 60 60 A D H X S+ 0 0 87 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.985 111.3 49.5 -54.7 -59.9 76.8 -25.8 87.3 61 61 A K H X S+ 0 0 31 -4,-2.8 4,-0.8 1,-0.3 3,-0.4 0.899 109.9 51.2 -45.6 -50.3 78.7 -29.0 87.6 62 62 A I H >< S+ 0 0 1 -4,-3.1 3,-1.4 1,-0.2 -1,-0.3 0.938 109.8 51.7 -53.0 -47.4 79.5 -28.3 91.2 63 63 A Q H >< S+ 0 0 102 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.818 101.0 58.5 -60.7 -35.3 75.8 -27.7 91.8 64 64 A E H >< S+ 0 0 105 -4,-2.0 3,-1.2 -3,-0.4 -1,-0.3 0.656 90.9 76.4 -69.0 -14.5 74.7 -31.0 90.3 65 65 A S T << S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.8 5,-0.2 0.581 70.4 80.7 -73.6 -10.2 76.9 -32.7 92.9 66 66 A V T < S+ 0 0 102 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.1 0.471 76.6 88.8 -74.8 2.1 74.3 -32.0 95.6 67 67 A G S < S- 0 0 40 -3,-1.2 -2,-0.1 1,-0.1 -1,-0.1 0.873 94.2-114.6 -61.2-105.5 72.6 -35.1 94.1 68 68 A S S S+ 0 0 95 -66,-0.0 -66,-0.2 0, 0.0 -1,-0.1 0.186 98.2 83.9-167.7 -36.8 73.9 -38.3 95.8 69 69 A D S S+ 0 0 97 -68,-0.1 -67,-2.1 2,-0.1 2,-0.4 0.823 90.0 66.6 -49.2 -33.6 75.7 -40.1 93.1 70 70 A Y E +b 2 0A 25 -6,-0.2 -67,-0.2 -5,-0.2 3,-0.1 -0.773 52.5 170.7 -97.2 135.7 78.7 -37.9 93.9 71 71 A E E + 0 0 59 -69,-2.9 2,-0.3 -2,-0.4 -68,-0.2 0.331 67.1 4.2-122.0 2.9 80.5 -38.1 97.3 72 72 A G E -b 3 0A 1 -70,-0.8 -68,-2.3 24,-0.1 2,-0.4 -0.950 58.0-136.0-178.7 159.5 83.5 -35.9 96.7 73 73 A I E -bc 4 98A 0 24,-2.7 26,-2.8 -2,-0.3 2,-0.6 -0.987 3.6-166.4-136.1 128.4 85.2 -33.5 94.3 74 74 A I E +bc 5 99A 0 -70,-2.5 -68,-1.8 -2,-0.4 2,-0.4 -0.958 30.5 179.7-107.5 118.2 88.8 -33.2 93.2 75 75 A I E -bc 6 100A 0 24,-3.0 26,-3.5 -2,-0.6 -68,-0.2 -0.950 36.1-173.9-132.9 148.0 89.1 -29.9 91.4 76 76 A N E -b 7 0A 6 -70,-2.5 -68,-2.8 -2,-0.4 3,-0.1 -0.839 10.2-177.9-128.2 87.5 91.7 -27.7 89.7 77 77 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.615 25.4-165.0 -67.3 -3.6 89.8 -24.5 88.9 78 78 A G G > - 0 0 13 23,-0.4 3,-2.6 1,-0.3 4,-0.3 -0.249 62.7 -3.1 57.6-143.6 93.0 -23.3 87.3 79 79 A A G > S+ 0 0 43 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.691 128.1 67.3 -55.0 -21.6 93.2 -19.6 86.5 80 80 A F G X> S+ 0 0 44 -3,-1.6 4,-2.9 1,-0.2 3,-0.5 0.638 81.3 77.9 -74.8 -14.3 89.7 -19.1 87.9 81 81 A S G <4 S+ 0 0 0 -3,-2.6 36,-2.9 1,-0.2 37,-1.0 0.714 94.8 47.4 -69.4 -16.9 90.8 -20.0 91.4 82 82 A H G <4 S+ 0 0 18 -3,-1.0 -1,-0.2 34,-0.3 -2,-0.2 0.611 127.1 23.5 -97.5 -12.9 92.3 -16.5 91.8 83 83 A T T <4 S+ 0 0 93 -3,-0.5 2,-1.1 -4,-0.3 -2,-0.2 0.690 94.4 94.1-121.3 -30.9 89.4 -14.6 90.5 84 84 A S X + 0 0 1 -4,-2.9 4,-1.3 1,-0.2 -1,-0.1 -0.536 27.5 161.8 -77.3 95.4 86.2 -16.6 90.9 85 85 A I H > S+ 0 0 89 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.752 80.5 62.5 -79.3 -19.7 84.4 -15.8 94.1 86 86 A A H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 104.8 43.2 -70.0 -39.8 81.4 -17.4 92.4 87 87 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 112.9 54.4 -73.1 -33.8 83.1 -20.8 92.1 88 88 A A H X S+ 0 0 8 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.892 108.2 49.0 -64.6 -39.3 84.4 -20.3 95.7 89 89 A D H >X S+ 0 0 77 -4,-2.1 4,-1.7 1,-0.2 3,-1.1 0.924 109.6 51.4 -66.0 -43.9 80.8 -19.7 96.8 90 90 A A H 3X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.878 104.6 57.5 -59.1 -40.1 79.6 -22.9 95.0 91 91 A I H 3< S+ 0 0 8 -4,-2.2 -1,-0.3 1,-0.2 5,-0.2 0.702 108.4 47.9 -65.4 -18.8 82.4 -24.8 96.7 92 92 A M H << S+ 0 0 128 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.820 107.9 52.4 -89.7 -34.6 80.9 -23.7 100.1 93 93 A L H < S+ 0 0 131 -4,-1.7 -2,-0.2 2,-0.1 -3,-0.1 0.785 89.1 91.2 -72.6 -29.0 77.2 -24.6 99.2 94 94 A A S < S- 0 0 13 -4,-1.7 2,-0.3 -5,-0.2 4,-0.1 -0.457 73.6-144.7 -65.3 137.8 78.1 -28.1 98.2 95 95 A G + 0 0 72 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.306 69.0 85.4-101.2 50.2 77.8 -30.4 101.2 96 96 A K S S- 0 0 70 -2,-0.3 2,-0.2 -5,-0.2 -24,-0.1 -0.964 87.6 -83.5-145.6 159.6 80.7 -32.6 100.2 97 97 A P - 0 0 22 0, 0.0 -24,-2.7 0, 0.0 2,-0.4 -0.470 41.2-171.4 -68.5 130.0 84.5 -32.7 100.4 98 98 A V E -c 73 0A 5 -2,-0.2 25,-2.0 -26,-0.2 26,-0.8 -0.987 4.0-166.0-123.2 126.9 86.3 -30.7 97.8 99 99 A I E -cd 74 124A 9 -26,-2.8 -24,-3.0 -2,-0.4 2,-0.5 -0.962 13.7-140.8-116.5 126.0 90.1 -30.9 97.3 100 100 A E E -cd 75 125A 0 24,-2.3 26,-2.8 -2,-0.5 2,-0.4 -0.712 17.7-167.0 -89.6 130.1 91.9 -28.3 95.2 101 101 A V E - d 0 126A 0 -26,-3.5 2,-0.4 -2,-0.5 -23,-0.4 -0.948 10.4-177.7-121.7 134.6 94.7 -29.4 93.0 102 102 A H E - d 0 127A 7 24,-2.3 26,-1.2 -2,-0.4 27,-0.2 -0.992 18.1-154.9-129.4 122.0 97.3 -27.3 91.2 103 103 A L S S+ 0 0 16 -2,-0.4 -1,-0.1 24,-0.2 2,-0.1 0.948 85.3 43.5 -57.0 -51.8 99.9 -28.9 88.9 104 104 A T S S- 0 0 15 23,-0.1 24,-1.1 1,-0.0 2,-0.8 -0.369 99.2 -99.7 -89.6 172.5 102.3 -26.0 89.4 105 105 A N > - 0 0 72 22,-0.3 3,-1.5 23,-0.2 -2,-0.1 -0.849 28.8-162.9 -94.7 104.7 103.2 -24.2 92.6 106 106 A I G > S+ 0 0 6 -2,-0.8 3,-0.6 1,-0.3 7,-0.2 0.575 86.5 66.4 -67.8 -7.3 101.0 -21.1 92.6 107 107 A Q G 3 S+ 0 0 108 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.757 100.2 52.9 -81.0 -23.0 103.3 -19.5 95.3 108 108 A A G < S+ 0 0 75 -3,-1.5 -1,-0.2 5,-0.1 2,-0.2 -0.108 102.3 58.6-105.6 36.1 106.1 -19.5 92.8 109 109 A R S < S- 0 0 47 -3,-0.6 4,-0.1 1,-0.3 5,-0.1 -0.545 98.5 -18.8-137.7-155.9 104.7 -17.7 89.8 110 110 A E > - 0 0 73 -2,-0.2 3,-2.3 1,-0.1 4,-0.4 -0.167 65.3-113.1 -53.8 145.3 103.1 -14.4 88.9 111 111 A E G > S+ 0 0 144 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.807 114.3 64.7 -51.1 -32.3 101.8 -12.4 91.8 112 112 A F G 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.293 97.5 54.9 -79.4 14.7 98.3 -12.8 90.6 113 113 A R G < S+ 0 0 42 -3,-2.3 -1,-0.2 -7,-0.2 -2,-0.2 0.420 83.8 84.4-119.3 -5.0 98.4 -16.6 91.1 114 114 A K S < S+ 0 0 70 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.1 0.889 82.4 64.6 -65.4 -41.1 99.4 -16.6 94.8 115 115 A N - 0 0 77 -4,-0.4 2,-0.5 -33,-0.1 4,-0.0 -0.628 61.6-167.3 -90.0 141.8 95.8 -16.2 96.1 116 116 A S > + 0 0 20 -2,-0.3 4,-1.3 1,-0.2 -34,-0.3 -0.931 12.2 179.8-130.1 108.2 93.1 -18.8 95.7 117 117 A Y T 4 S+ 0 0 111 -36,-2.9 4,-0.3 -2,-0.5 -35,-0.2 0.935 92.4 44.3 -67.9 -46.1 89.5 -17.8 96.4 118 118 A T T >> S+ 0 0 0 -37,-1.0 3,-2.0 1,-0.2 4,-1.7 0.925 110.1 53.6 -63.6 -48.9 88.4 -21.3 95.5 119 119 A G T 34 S+ 0 0 7 -38,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 102.9 58.3 -59.5 -29.8 91.2 -23.1 97.4 120 120 A A T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.561 106.1 50.5 -77.2 -8.1 90.3 -21.2 100.6 121 121 A A T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.800 98.7 78.8 -93.6 -38.8 86.8 -22.7 100.3 122 122 A C S < S- 0 0 14 -4,-1.7 -23,-0.2 1,-0.1 3,-0.1 -0.038 89.5-115.3 -61.8 170.3 87.9 -26.3 99.9 123 123 A G S S+ 0 0 82 -25,-2.0 2,-0.3 1,-0.2 -24,-0.2 0.925 91.3 1.6 -75.7 -46.0 89.1 -28.5 102.7 124 124 A G E -d 99 0A 32 -26,-0.8 -24,-2.3 2,-0.0 2,-0.4 -0.898 62.7-143.2-139.5 167.7 92.6 -28.8 101.5 125 125 A V E -d 100 0A 61 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.998 8.0-169.1-138.0 139.7 94.9 -27.7 98.7 126 126 A I E +d 101 0A 23 -26,-2.8 -24,-2.3 -2,-0.4 2,-0.3 -0.988 16.3 162.8-128.0 135.6 97.7 -29.4 96.8 127 127 A M E +d 102 0A 49 -2,-0.4 -22,-0.3 -26,-0.2 -24,-0.2 -0.996 47.7 30.8-153.5 148.3 100.1 -27.7 94.4 128 128 A G S S+ 0 0 37 -26,-1.2 2,-0.8 -24,-1.1 -23,-0.2 -0.140 78.9 104.4 101.7 -42.2 103.5 -28.3 92.8 129 129 A F S > S- 0 0 100 -27,-0.2 4,-0.8 -25,-0.2 -1,-0.2 -0.714 73.4-132.9 -78.4 113.7 103.5 -32.0 92.4 130 130 A G T >4 - 0 0 31 -2,-0.8 3,-2.2 2,-0.2 4,-0.2 0.753 69.7 -26.2 -39.1-133.4 102.8 -32.4 88.7 131 131 A P T >> S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.820 129.9 77.7 -59.2 -23.0 100.2 -34.9 87.6 132 132 A L H 3> S+ 0 0 84 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.668 74.9 81.0 -57.7 -16.4 101.0 -36.8 90.8 133 133 A G H S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.2 -1,-0.2 0.825 105.8 54.3 -70.8 -32.7 95.5 -35.8 91.7 135 135 A N H X S+ 0 0 13 -4,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.914 108.5 50.7 -66.4 -38.3 96.5 -39.2 93.0 136 136 A M H X S+ 0 0 53 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.879 109.7 50.2 -62.4 -39.2 97.5 -37.5 96.3 137 137 A A H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.906 109.0 52.7 -65.6 -40.7 94.0 -35.9 96.2 138 138 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.943 110.6 46.1 -59.9 -49.7 92.5 -39.4 95.6 139 139 A M H X S+ 0 0 113 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.994 115.9 45.8 -54.0 -65.1 94.4 -40.8 98.6 140 140 A A H X S+ 0 0 33 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.876 112.8 51.4 -43.8 -50.2 93.3 -37.9 100.8 141 141 A M H >X S+ 0 0 1 -4,-3.4 4,-2.7 1,-0.2 3,-0.8 0.934 110.3 45.6 -57.5 -52.1 89.7 -38.1 99.5 142 142 A V H 3X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.850 113.1 52.9 -61.5 -32.6 89.2 -41.8 100.2 143 143 A N H 3X S+ 0 0 91 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.3 0.710 112.0 45.8 -74.7 -21.6 90.7 -41.3 103.6 144 144 A I H X S+ 0 0 12 -4,-2.7 4,-1.5 1,-0.2 3,-0.6 0.876 114.1 51.5 -60.8 -37.7 85.1 -40.1 103.2 146 146 A A H >X S+ 0 0 59 -4,-1.6 4,-0.9 -5,-0.3 3,-0.6 0.959 111.0 45.8 -63.1 -50.8 86.1 -43.1 105.1 147 147 A E H 3< S+ 0 0 136 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.479 112.0 54.6 -73.3 -0.7 86.8 -41.1 108.2 148 148 A M H S+ 0 0 129 -3,-0.1 4,-0.8 -5,-0.1 -2,-0.2 0.642 113.2 58.2-107.0 -30.7 82.0 -40.6 112.5 152 152 A Q H < S+ 0 0 131 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.958 117.5 29.1 -65.6 -56.2 78.5 -40.5 110.8 153 153 A E T >X S+ 0 0 111 -4,-1.4 3,-1.2 1,-0.2 4,-1.0 0.737 110.4 70.2 -78.6 -23.4 77.4 -43.9 112.0 154 154 A A T 34 S+ 0 0 63 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 106.3 41.3 -63.3 -24.9 79.6 -43.7 115.1 155 155 A Q T 3< S+ 0 0 126 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.1 -0.474 102.4 70.9-120.0 57.4 77.1 -41.1 116.2 156 156 A K T <4 S+ 0 0 161 -3,-1.2 -2,-0.2 -2,-0.1 -3,-0.1 0.447 93.5 50.2-136.3 -36.6 73.9 -42.9 115.1 157 157 A N < 0 0 139 -4,-1.0 -2,-0.1 -3,-0.0 -3,-0.1 0.212 360.0 360.0 -92.0 12.4 73.7 -45.7 117.5 158 158 A N 0 0 184 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.971 360.0 360.0-126.8 360.0 74.2 -43.3 120.4