==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-OCT-05 2C4V . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR D.A.ROBINSON,A.J.LAPTHORN . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 75.9 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 33.5 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 1 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 53 0, 0.0 45,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 71.2 81.4 -43.7 95.2 2 2 A K E -ab 46 70A 96 67,-0.9 69,-2.0 43,-0.2 70,-0.8 -0.752 360.0-162.6 -70.3 114.3 81.5 -41.4 92.2 3 3 A I E -ab 47 72A 0 43,-2.6 45,-2.5 -2,-0.6 2,-0.5 -0.909 12.3-143.6 -90.2 134.1 84.4 -38.9 92.6 4 4 A L E -ab 48 73A 0 68,-2.0 70,-2.4 -2,-0.5 2,-0.7 -0.862 8.7-159.8-102.3 128.1 83.9 -35.9 90.3 5 5 A V E -ab 49 74A 0 43,-3.3 45,-2.3 -2,-0.5 2,-0.4 -0.921 9.4-169.1-113.0 100.5 87.1 -34.6 88.9 6 6 A I E -ab 50 75A 0 68,-2.0 70,-2.4 -2,-0.7 2,-0.5 -0.819 1.8-170.8 -95.2 131.2 86.5 -31.0 87.6 7 7 A Q E -ab 51 76A 0 43,-2.3 45,-1.6 -2,-0.4 3,-0.1 -0.987 12.1-143.4-126.1 129.4 89.3 -29.4 85.5 8 8 A G > - 0 0 0 68,-2.8 3,-1.6 -2,-0.5 4,-0.3 0.178 41.2 -28.5 -88.2-160.4 89.4 -25.8 84.5 9 9 A P T 3 S- 0 0 10 0, 0.0 70,-0.3 0, 0.0 -1,-0.2 -0.059 119.4 -1.1 -55.4 139.8 90.3 -23.5 81.7 10 10 A N T > S+ 0 0 85 1,-0.1 3,-1.2 -3,-0.1 43,-0.1 0.385 92.8 114.3 71.8 -1.7 93.2 -24.5 79.3 11 11 A L G X + 0 0 6 -3,-1.6 3,-0.9 1,-0.3 16,-0.2 0.734 69.5 62.6 -73.5 -23.2 93.9 -27.8 81.1 12 12 A N G 3 S+ 0 0 70 -4,-0.3 -1,-0.3 1,-0.2 15,-0.2 0.635 98.2 58.8 -68.6 -16.5 92.8 -29.7 78.1 13 13 A M G X + 0 0 85 -3,-1.2 3,-1.5 13,-0.1 2,-0.3 0.005 70.0 138.8-108.6 28.9 95.6 -28.1 76.2 14 14 A L T < + 0 0 9 -3,-0.9 13,-0.3 1,-0.3 10,-0.1 -0.552 65.9 43.8 -68.4 134.5 98.4 -29.4 78.4 15 15 A G T 3 S+ 0 0 45 -2,-0.3 -1,-0.3 8,-0.2 11,-0.1 0.531 107.8 62.5 91.9 2.8 101.2 -30.4 76.1 16 16 A H S < S+ 0 0 161 -3,-1.5 -2,-0.2 2,-0.0 2,-0.2 0.058 95.3 85.3-116.7 7.7 100.7 -27.3 74.1 17 17 A R S S- 0 0 59 6,-0.1 5,-0.0 1,-0.1 -3,-0.0 -0.528 105.0 -63.3-103.0 170.5 101.6 -25.3 77.3 18 18 A D >> - 0 0 53 1,-0.2 4,-2.4 -2,-0.2 3,-1.1 -0.312 45.7-159.1 -52.7 110.8 105.0 -24.3 78.6 19 19 A P H 3> S+ 0 0 82 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.721 87.7 70.2 -73.9 -15.6 106.7 -27.8 79.3 20 20 A R H 34 S+ 0 0 220 2,-0.2 -2,-0.1 1,-0.2 4,-0.1 0.846 115.9 24.8 -62.4 -32.2 109.1 -26.1 81.7 21 21 A L H <4 S+ 0 0 75 -3,-1.1 -1,-0.2 2,-0.1 109,-0.1 0.855 136.4 29.6 -94.4 -41.0 106.0 -25.7 84.0 22 22 A Y H >< S- 0 0 29 -4,-2.4 3,-0.7 1,-0.3 -2,-0.2 0.192 90.9-139.3-115.9 3.5 103.7 -28.5 82.9 23 23 A G T 3< - 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 -0.152 45.9 -64.7 61.9-160.6 106.0 -31.3 81.6 24 24 A M T 3 S+ 0 0 175 -4,-0.1 2,-0.3 -10,-0.1 -1,-0.2 -0.448 93.2 116.1-125.4 57.8 104.9 -33.2 78.4 25 25 A V < - 0 0 39 -3,-0.7 2,-0.2 -2,-0.2 -3,-0.0 -0.961 51.7-135.0-133.4 144.2 101.7 -34.9 79.6 26 26 A T > - 0 0 56 -2,-0.3 4,-2.0 -11,-0.1 5,-0.1 -0.554 26.5-111.7 -96.3 164.3 98.1 -34.5 78.5 27 27 A L H > S+ 0 0 12 -13,-0.3 4,-2.0 -15,-0.2 5,-0.1 0.871 121.0 50.5 -58.2 -37.5 94.9 -34.2 80.4 28 28 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.949 107.3 54.4 -69.1 -41.8 93.9 -37.7 79.2 29 29 A Q H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 107.4 50.6 -57.4 -34.7 97.1 -39.0 80.3 30 30 A I H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.954 107.1 52.8 -66.7 -47.6 96.5 -37.6 83.8 31 31 A H H X S+ 0 0 20 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.790 107.6 52.4 -65.9 -27.9 93.1 -39.2 84.0 32 32 A E H X S+ 0 0 118 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.923 105.7 52.7 -70.8 -46.1 94.5 -42.6 83.2 33 33 A I H X S+ 0 0 68 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.879 107.8 55.1 -51.6 -37.2 97.1 -42.3 85.8 34 34 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 111.8 40.3 -66.8 -38.5 94.1 -41.6 88.2 35 35 A Q H X S+ 0 0 63 -4,-1.3 4,-5.2 2,-0.2 5,-0.3 0.925 113.2 54.6 -73.6 -48.6 92.2 -44.7 87.2 36 36 A T H X S+ 0 0 88 -4,-3.0 4,-1.6 2,-0.2 5,-0.2 0.810 108.9 50.2 -50.7 -35.4 95.4 -46.8 87.2 37 37 A F H X S+ 0 0 69 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.957 118.7 37.0 -66.8 -50.9 95.8 -45.4 90.8 38 38 A V H X>S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 5,-1.3 0.960 115.8 51.7 -60.8 -57.9 92.3 -46.5 91.7 39 39 A K H <5S+ 0 0 141 -4,-5.2 -3,-0.2 2,-0.2 -2,-0.2 0.930 117.9 41.8 -47.4 -54.0 92.2 -49.7 89.7 40 40 A Q H <5S+ 0 0 149 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.992 113.3 47.6 -55.7 -75.5 95.4 -50.7 91.4 41 41 A G H <5S- 0 0 40 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.766 106.3-127.4 -40.3 -33.3 94.8 -49.5 95.0 42 42 A N T <5 + 0 0 149 -4,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.898 49.2 160.7 77.3 50.6 91.4 -51.3 94.8 43 43 A L < - 0 0 51 -5,-1.3 2,-1.4 -6,-0.1 -1,-0.3 -0.782 45.2-131.3 -93.2 138.7 89.3 -48.4 95.9 44 44 A D + 0 0 118 -2,-0.4 2,-0.4 2,-0.1 -5,-0.0 -0.745 62.9 137.2 -91.8 73.9 85.5 -48.7 94.9 45 45 A V - 0 0 11 -2,-1.4 2,-0.6 -10,-0.1 -43,-0.2 -0.999 45.0-157.1-114.7 128.5 85.8 -45.3 93.5 46 46 A E E -a 2 0A 83 -45,-2.8 -43,-2.6 -2,-0.4 2,-0.3 -0.955 17.5-150.0 -98.1 122.5 84.2 -44.4 90.2 47 47 A L E -a 3 0A 21 -2,-0.6 2,-0.4 -45,-0.2 -43,-0.2 -0.728 11.1-167.6 -88.6 140.8 85.9 -41.4 88.7 48 48 A E E -a 4 0A 51 -45,-2.5 -43,-3.3 -2,-0.3 2,-0.4 -0.979 9.3-153.5-123.0 145.4 84.0 -38.9 86.5 49 49 A F E +a 5 0A 60 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.901 16.2 173.2-124.4 134.4 85.9 -36.3 84.6 50 50 A F E -a 6 0A 49 -45,-2.3 -43,-2.3 -2,-0.4 2,-0.3 -0.854 5.1-175.5-148.2 113.0 84.7 -32.9 83.4 51 51 A Q E +a 7 0A 49 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.2 -0.806 13.4 159.4-105.3 148.3 86.9 -30.2 81.7 52 52 A T - 0 0 4 -45,-1.6 -41,-0.2 -2,-0.3 -2,-0.0 -0.943 40.9-149.3-166.7 148.1 85.6 -26.7 80.7 53 53 A N S S+ 0 0 76 -2,-0.3 2,-0.6 -44,-0.2 -45,-0.1 0.265 76.9 92.9 -97.0 5.0 86.9 -23.2 80.0 54 54 A F >> - 0 0 130 1,-0.2 4,-1.5 -46,-0.0 3,-0.5 -0.908 64.8-150.2-111.3 127.1 83.7 -21.6 81.3 55 55 A E H >> S+ 0 0 74 -2,-0.6 4,-1.7 1,-0.2 3,-0.5 0.919 99.4 51.2 -49.1 -51.6 83.3 -20.4 84.9 56 56 A G H 3> S+ 0 0 38 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.770 102.4 59.1 -67.2 -23.7 79.5 -21.1 84.9 57 57 A E H <> S+ 0 0 81 -3,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.901 106.7 49.6 -71.0 -34.4 80.0 -24.7 83.6 58 58 A I H < S+ 0 0 105 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.859 108.2 52.9 -62.6 -39.8 75.7 -27.6 91.9 64 64 A E H >< S+ 0 0 113 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.839 99.0 65.9 -65.8 -32.3 74.6 -30.7 90.1 65 65 A S T 3< S+ 0 0 0 -4,-2.1 5,-0.5 -5,-0.3 -1,-0.3 0.792 78.4 86.0 -58.5 -21.0 76.9 -32.6 92.4 66 66 A V T < S+ 0 0 77 -3,-1.3 2,-0.2 -4,-0.5 -1,-0.2 0.840 74.4 79.7 -59.1 -29.4 74.6 -31.6 95.3 67 67 A G S X S- 0 0 43 -3,-1.0 2,-1.2 -4,-0.3 3,-1.1 -0.562 105.2 -90.5 -73.5 138.4 72.3 -34.6 94.6 68 68 A S T 3 S+ 0 0 113 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.257 102.7 88.6 -8.4 -24.8 73.4 -38.0 96.0 69 69 A D T 3 S+ 0 0 108 -2,-1.2 -67,-0.9 -68,-0.1 2,-0.4 0.889 86.2 53.0 -67.6 -32.2 75.5 -39.4 93.0 70 70 A Y E < -b 2 0A 24 -3,-1.1 -67,-0.2 -5,-0.5 3,-0.1 -0.800 52.2-174.9-110.9 139.9 78.8 -37.9 94.1 71 71 A E E S- 0 0 70 -69,-2.0 2,-0.3 -2,-0.4 -68,-0.2 0.663 73.0 -1.5-102.2 -18.0 80.5 -38.1 97.5 72 72 A G E -b 3 0A 0 -70,-0.8 -68,-2.0 24,-0.2 2,-0.3 -0.945 58.5-135.6-162.6 171.4 83.4 -35.8 96.8 73 73 A I E -bc 4 98A 1 24,-2.1 26,-2.3 -2,-0.3 2,-0.5 -0.998 1.9-163.2-141.1 135.9 85.1 -33.5 94.2 74 74 A I E -bc 5 99A 0 -70,-2.4 -68,-2.0 -2,-0.3 2,-0.4 -0.993 28.3-177.7-117.7 120.4 88.7 -33.0 93.2 75 75 A I E -bc 6 100A 0 24,-2.0 26,-2.4 -2,-0.5 -68,-0.2 -0.987 32.0-171.8-128.3 135.6 88.9 -29.7 91.4 76 76 A N E -b 7 0A 5 -70,-2.4 -68,-2.8 -2,-0.4 3,-0.1 -0.835 11.1-176.7-115.5 91.0 91.6 -27.7 89.6 77 77 A P > - 0 0 0 0, 0.0 3,-1.4 0, 0.0 5,-0.1 0.589 24.1-161.8 -67.5 -3.0 89.8 -24.4 88.9 78 78 A G G > - 0 0 12 23,-0.3 3,-2.0 1,-0.3 4,-0.2 -0.324 63.3 -7.1 63.4-139.1 92.9 -23.2 87.0 79 79 A A G > S+ 0 0 44 -70,-0.3 3,-1.4 1,-0.3 4,-0.4 0.790 128.5 69.1 -64.3 -25.5 93.2 -19.6 86.5 80 80 A F G X> S+ 0 0 42 -3,-1.4 4,-2.2 1,-0.3 3,-0.7 0.622 80.1 81.2 -63.7 -15.0 89.7 -19.0 87.8 81 81 A S G <4 S+ 0 0 0 -3,-2.0 36,-2.4 1,-0.2 37,-1.1 0.761 92.9 47.5 -59.6 -31.3 91.1 -20.0 91.3 82 82 A H G <4 S+ 0 0 18 -3,-1.4 -1,-0.2 34,-0.3 -2,-0.2 0.657 125.9 22.0 -92.0 -11.8 92.4 -16.5 91.7 83 83 A T T <4 S+ 0 0 90 -3,-0.7 2,-1.5 -4,-0.4 3,-0.2 0.539 89.7 98.9-123.0 -19.8 89.3 -14.5 90.6 84 84 A S X + 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.1 -0.613 27.1 165.1 -94.9 91.1 86.2 -16.5 90.9 85 85 A I H > S+ 0 0 97 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.787 81.9 61.7 -58.0 -31.9 84.3 -15.7 94.1 86 86 A A H > S+ 0 0 40 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.934 102.8 44.7 -66.9 -43.9 81.4 -17.5 92.5 87 87 A I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.923 112.7 53.8 -67.1 -37.3 83.2 -20.8 92.2 88 88 A A H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.913 108.1 48.9 -56.8 -41.3 84.3 -20.3 95.7 89 89 A D H X S+ 0 0 81 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.845 110.1 52.4 -69.7 -38.9 80.7 -19.7 96.8 90 90 A A H >X S+ 0 0 5 -4,-1.9 4,-0.6 2,-0.2 3,-0.6 0.924 108.6 50.9 -58.2 -47.5 79.6 -22.9 94.9 91 91 A I H >< S+ 0 0 9 -4,-3.1 3,-1.1 1,-0.2 4,-0.3 0.931 105.9 55.0 -59.9 -43.5 82.3 -24.8 96.7 92 92 A M H 3< S+ 0 0 139 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.850 110.4 46.8 -57.4 -29.8 81.0 -23.5 100.0 93 93 A L H << S+ 0 0 120 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.459 84.3 94.0 -94.5 4.3 77.5 -24.9 99.3 94 94 A A S << S- 0 0 3 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.722 73.3-144.2 -70.3 -28.0 78.3 -28.4 98.0 95 95 A G S S+ 0 0 77 -3,-0.3 -1,-0.1 -4,-0.3 -2,-0.1 0.862 70.5 79.9 62.8 36.7 77.9 -30.4 101.3 96 96 A K S S- 0 0 40 -5,-0.3 -1,-0.2 -23,-0.0 -24,-0.2 -0.973 92.6 -73.7-165.6 154.2 80.8 -32.7 100.4 97 97 A P - 0 0 22 0, 0.0 -24,-2.1 0, 0.0 2,-0.4 -0.344 41.5-173.4 -55.8 131.8 84.6 -32.7 100.4 98 98 A V E -c 73 0A 8 -26,-0.2 25,-1.7 23,-0.1 26,-0.8 -0.996 2.9-167.5-126.0 128.5 86.2 -30.6 97.8 99 99 A I E -cd 74 124A 9 -26,-2.3 -24,-2.0 -2,-0.4 2,-0.4 -0.987 13.8-140.4-118.9 128.7 90.0 -30.8 97.4 100 100 A E E -cd 75 125A 0 24,-2.8 26,-2.7 -2,-0.5 2,-0.4 -0.695 19.7-171.2 -90.1 126.6 91.9 -28.2 95.3 101 101 A V E - d 0 126A 0 -26,-2.4 2,-0.4 -2,-0.4 -23,-0.3 -0.968 10.2-178.6-117.0 143.5 94.8 -29.4 93.0 102 102 A H E - d 0 127A 7 24,-2.1 26,-1.3 -2,-0.4 27,-0.7 -0.995 22.4-149.3-130.3 134.9 97.3 -27.4 91.0 103 103 A L S S+ 0 0 14 -2,-0.4 27,-2.3 24,-0.2 2,-0.2 0.910 85.2 48.9 -61.5 -43.1 99.9 -28.9 88.9 104 104 A T S S- 0 0 13 24,-0.2 2,-1.0 25,-0.1 24,-0.6 -0.544 96.9-100.3 -99.0 163.0 102.3 -26.0 89.5 105 105 A N > - 0 0 74 22,-0.3 3,-1.8 23,-0.2 -2,-0.1 -0.744 30.1-164.3 -81.6 106.6 103.3 -24.3 92.7 106 106 A I T 3 S+ 0 0 5 -2,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.610 85.6 68.6 -75.3 -1.2 101.1 -21.1 92.7 107 107 A Q T 3 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 7,-0.1 0.537 102.5 45.7 -79.0 -6.7 103.4 -19.7 95.3 108 108 A A S < S+ 0 0 80 -3,-1.8 -1,-0.2 5,-0.1 -2,-0.2 0.111 100.8 67.2-135.7 19.1 106.2 -19.4 92.7 109 109 A R S S- 0 0 47 -3,-0.5 5,-0.0 1,-0.4 -3,-0.0 -0.370 100.6 -25.8-117.0-157.7 104.6 -17.9 89.5 110 110 A E > - 0 0 76 -2,-0.2 3,-1.9 1,-0.1 -1,-0.4 -0.077 62.0-114.9 -56.2 150.1 103.1 -14.4 88.8 111 111 A E G > S+ 0 0 146 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.844 113.8 67.3 -56.1 -36.3 101.8 -12.5 91.9 112 112 A F G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.671 97.7 52.0 -62.4 -13.7 98.4 -12.7 90.4 113 113 A R G < S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.313 84.3 90.0-100.9 3.5 98.3 -16.5 91.0 114 114 A K S < S+ 0 0 74 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.1 0.860 77.7 60.1 -74.7 -32.1 99.2 -16.5 94.7 115 115 A N - 0 0 81 -4,-0.3 2,-0.5 -3,-0.2 3,-0.1 -0.734 63.7-162.8-101.5 133.5 95.8 -16.3 96.2 116 116 A S > - 0 0 20 -2,-0.3 4,-1.4 1,-0.1 -34,-0.3 -0.954 9.2-176.3-120.8 103.2 93.2 -18.9 95.6 117 117 A Y T 4 S+ 0 0 98 -36,-2.4 4,-0.4 -2,-0.5 -35,-0.2 0.922 92.1 46.8 -59.3 -41.2 89.6 -17.8 96.5 118 118 A T T >> S+ 0 0 0 -37,-1.1 4,-1.8 1,-0.2 3,-0.8 0.835 106.6 54.5 -71.5 -40.3 88.5 -21.3 95.6 119 119 A G T 34 S+ 0 0 7 -38,-0.3 -1,-0.2 1,-0.2 -19,-0.2 0.809 103.5 57.8 -65.8 -28.8 91.2 -23.1 97.6 120 120 A A T 3< S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.607 106.5 49.7 -69.6 -22.5 90.2 -21.2 100.7 121 121 A A T <4 S+ 0 0 29 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.821 101.1 76.0 -87.5 -40.3 86.7 -22.6 100.3 122 122 A C S < S- 0 0 14 -4,-1.8 -23,-0.2 1,-0.1 3,-0.1 -0.168 90.3-113.3 -56.5 162.6 87.9 -26.3 99.9 123 123 A G S S- 0 0 83 -25,-1.7 2,-0.3 1,-0.2 -24,-0.2 0.906 91.2 -0.9 -65.9 -40.3 89.1 -28.5 102.7 124 124 A G E -d 99 0A 29 -26,-0.8 -24,-2.8 2,-0.0 2,-0.4 -0.987 59.4-138.6-157.9 160.1 92.6 -28.6 101.4 125 125 A V E -d 100 0A 62 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.972 9.1-172.6-131.2 135.6 95.0 -27.6 98.7 126 126 A I E +d 101 0A 24 -26,-2.7 -24,-2.1 -2,-0.4 2,-0.3 -0.987 16.6 168.2-124.4 143.0 97.7 -29.4 96.9 127 127 A M E +d 102 0A 49 -2,-0.4 -22,-0.3 -26,-0.2 -24,-0.2 -0.997 47.2 24.6-161.3 137.9 100.1 -27.7 94.5 128 128 A G S S+ 0 0 36 -26,-1.3 -23,-0.2 -24,-0.6 -25,-0.2 0.481 79.6 105.4 90.6 9.5 103.3 -28.2 92.6 129 129 A F S > S- 0 0 113 -27,-0.7 3,-0.9 1,-0.3 -25,-0.1 0.445 70.7-142.4 -98.4 9.0 103.4 -32.0 92.3 130 130 A G T > - 0 0 17 -27,-2.3 3,-2.7 -28,-0.3 4,-0.4 -0.305 69.7 -15.9 58.5-155.7 102.5 -32.1 88.7 131 131 A P T >> S+ 0 0 39 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.822 130.5 72.2 -46.3 -34.8 100.1 -35.0 87.6 132 132 A L H X> S+ 0 0 101 -3,-0.9 4,-2.0 1,-0.3 3,-0.8 0.725 80.5 71.9 -54.4 -25.5 100.9 -36.7 91.0 133 133 A G H <> S+ 0 0 0 -3,-2.7 4,-2.3 1,-0.3 -1,-0.3 0.823 90.1 59.8 -65.9 -28.4 98.9 -34.3 92.9 134 134 A Y H <> S+ 0 0 1 -3,-1.8 4,-2.3 -4,-0.4 -1,-0.3 0.820 105.5 47.1 -67.1 -28.7 95.7 -35.7 91.6 135 135 A N H X S+ 0 0 115 -4,-0.9 4,-1.8 1,-0.2 3,-1.6 0.907 108.1 48.4 -68.6 -45.3 78.1 -40.9 111.1 153 153 A E H 3X S+ 0 0 102 -4,-1.6 4,-0.6 1,-0.3 -1,-0.2 0.845 105.4 62.7 -63.6 -29.9 77.5 -44.5 112.1 154 154 A A H 34 S+ 0 0 69 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.161 111.8 34.9 -83.2 19.9 79.2 -43.6 115.4 155 155 A Q H X4 S+ 0 0 126 -3,-1.6 3,-0.5 2,-0.0 -2,-0.2 0.480 109.9 56.9-139.1 -21.2 76.5 -41.0 116.2 156 156 A K H 3< S+ 0 0 179 -4,-1.8 -2,-0.1 1,-0.2 -3,-0.1 0.438 106.6 57.7 -81.5 -7.4 73.2 -42.5 114.8 157 157 A N T 3< 0 0 110 -4,-0.6 -1,-0.2 -5,-0.2 -3,-0.1 0.312 360.0 360.0-103.6 8.1 74.2 -45.4 117.1 158 158 A N < 0 0 191 -3,-0.5 -1,-0.1 -5,-0.0 -4,-0.0 -0.980 360.0 360.0-122.3 360.0 74.2 -43.1 120.2