==== 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 ISOMERASE 08-OCT-08 3ETN . COMPND 2 MOLECULE: PUTATIVE PHOSPHOSUGAR ISOMERASE INVOLVED IN CAPSU . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 780 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 30 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.8 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 8 0 0 0 0 0 0 4 4 0 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 9 3 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 PARALLEL BRIDGES PER LADDER . 4 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 4 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 0 A G > 0 0 100 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 146.1 51.4 74.4 -2.6 2 1 A X H > + 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 360.0 57.0 -63.6 -41.0 53.1 71.6 -0.7 3 2 A I H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 109.1 45.7 -57.8 -43.9 55.8 71.1 -3.3 4 3 A E H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.7 52.5 -66.9 -38.0 56.9 74.7 -3.1 5 4 A S H X S+ 0 0 20 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.905 109.9 48.0 -64.6 -40.3 56.8 74.6 0.7 6 5 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 107.9 55.6 -68.4 -38.0 59.0 71.5 0.7 7 6 A Q H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 106.9 50.6 -60.4 -40.7 61.5 73.1 -1.8 8 7 A E H X S+ 0 0 109 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.908 108.3 52.6 -61.9 -41.7 61.8 76.0 0.6 9 8 A L H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.922 107.8 51.0 -58.8 -46.5 62.6 73.5 3.4 10 9 A L H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.922 108.7 51.6 -58.4 -44.1 65.3 71.9 1.3 11 10 A Q H X S+ 0 0 113 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 111.8 47.3 -57.4 -44.6 66.9 75.3 0.6 12 11 A K H X S+ 0 0 103 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 114.3 45.3 -65.7 -43.5 66.9 76.0 4.4 13 12 A E H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.934 114.6 48.1 -65.7 -44.3 68.4 72.7 5.3 14 13 A A H X S+ 0 0 2 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.901 111.1 51.5 -63.1 -40.4 71.0 72.9 2.6 15 14 A Q H X S+ 0 0 90 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.904 106.5 54.0 -67.1 -38.3 71.9 76.4 3.6 16 15 A A H < S+ 0 0 6 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.902 110.4 47.3 -57.0 -45.1 72.3 75.3 7.2 17 16 A V H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.945 110.6 50.8 -63.0 -45.5 74.8 72.6 6.1 18 17 A L H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.2 55.9 -61.3 -27.5 76.7 75.1 3.9 19 18 A N T 3< S+ 0 0 96 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.421 70.8 126.3 -87.3 -1.6 76.9 77.4 6.9 20 19 A I < - 0 0 5 -3,-1.6 2,-0.4 -4,-0.3 121,-0.1 -0.432 69.5-116.7 -59.9 123.8 78.6 74.9 9.3 21 20 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 119,-0.3 -0.530 28.1-156.7 -73.6 124.8 81.7 76.8 10.5 22 21 A V + 0 0 25 -2,-0.4 2,-0.2 117,-0.1 178,-0.0 -0.883 28.8 143.1-108.1 114.6 84.9 75.1 9.4 23 22 A T > - 0 0 76 -2,-0.6 3,-1.5 177,-0.0 4,-0.5 -0.708 69.0 -78.4-132.5-177.0 88.0 75.9 11.5 24 23 A D T 3> S+ 0 0 90 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.596 111.1 88.8 -63.1 -13.2 91.1 74.0 12.7 25 24 A A H 3> S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.856 83.3 55.8 -51.7 -36.2 88.8 72.5 15.4 26 25 A Y H <> S+ 0 0 2 -3,-1.5 4,-3.0 2,-0.2 5,-0.2 0.955 107.0 46.7 -64.9 -49.3 88.0 69.7 12.9 27 26 A E H > S+ 0 0 87 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.907 113.0 50.7 -58.7 -41.7 91.6 68.7 12.5 28 27 A K H X S+ 0 0 129 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.912 112.0 47.0 -61.8 -41.4 92.1 68.9 16.3 29 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 113.3 48.1 -65.4 -45.2 89.0 66.6 16.8 30 29 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.922 109.3 53.3 -64.0 -41.0 90.2 64.1 14.1 31 30 A E H X S+ 0 0 51 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.902 108.8 50.0 -62.6 -38.6 93.7 64.0 15.6 32 31 A L H X S+ 0 0 19 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.907 111.8 47.7 -64.3 -42.8 92.2 63.2 19.0 33 32 A I H X>S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-1.2 0.940 114.5 46.2 -63.2 -44.6 90.1 60.4 17.5 34 33 A V H <>S+ 0 0 4 -4,-3.0 5,-2.6 3,-0.2 6,-0.2 0.928 117.3 44.8 -64.0 -42.6 93.2 59.0 15.6 35 34 A E H <>S+ 0 0 52 -4,-2.7 5,-2.4 -5,-0.2 -2,-0.2 0.938 120.5 35.6 -67.1 -51.5 95.4 59.2 18.6 36 35 A Q H <5S+ 0 0 15 -4,-3.0 6,-2.9 3,-0.2 -3,-0.2 0.890 133.6 20.9 -75.8 -41.0 93.0 57.8 21.2 37 36 A I T X5S+ 0 0 5 -4,-2.2 4,-1.0 -5,-0.3 -3,-0.2 0.919 128.9 38.3 -95.0 -56.9 91.3 55.1 19.2 38 37 A H T 4> S- 0 0 10 46,-0.5 4,-1.1 -2,-0.3 3,-0.7 -0.904 72.8 -12.0-118.0 149.9 69.7 63.4 24.9 50 49 A G H 3> S- 0 0 1 -2,-0.3 4,-1.5 1,-0.2 3,-0.4 -0.224 127.0 -16.2 67.9-149.0 66.7 63.3 22.8 51 50 A K H 3> S+ 0 0 7 421,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.846 138.5 57.7 -60.8 -35.9 67.0 63.6 19.0 52 51 A A H <> S+ 0 0 14 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.880 103.9 53.2 -60.5 -39.2 70.6 64.9 19.4 53 52 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.4 -1,-0.2 0.868 104.2 55.3 -64.7 -34.1 71.4 61.6 21.3 54 53 A Q H X S+ 0 0 17 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.845 105.8 51.1 -69.2 -30.0 70.0 59.7 18.4 55 54 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.930 107.2 53.9 -64.4 -44.7 72.4 61.5 16.2 56 55 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.876 107.0 53.0 -56.3 -38.3 75.2 60.5 18.7 57 56 A X H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 108.2 49.1 -58.6 -45.3 74.0 56.8 18.2 58 57 A N H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.834 108.2 53.9 -70.6 -30.6 74.3 57.1 14.5 59 58 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.924 106.2 52.1 -68.7 -43.7 77.8 58.5 14.8 60 59 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.926 111.0 47.9 -56.4 -47.0 79.0 55.6 16.9 61 60 A T H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.899 110.2 52.1 -60.7 -40.8 77.6 53.1 14.4 62 61 A T H X S+ 0 0 2 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.898 110.4 48.3 -65.9 -41.3 79.3 55.0 11.5 63 62 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-1.4 0.952 110.7 49.4 -62.5 -49.4 82.6 54.9 13.3 64 63 A C H ><5S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.893 108.8 55.7 -51.1 -43.3 82.4 51.2 14.1 65 64 A S H 3<5S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.686 111.1 43.9 -63.4 -23.2 81.6 50.7 10.4 66 65 A T T <<5S- 0 0 1 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.044 127.4 -88.6-118.2 23.1 84.8 52.5 9.4 67 66 A G T < 5S+ 0 0 17 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.628 92.6 114.1 88.1 16.6 87.2 50.9 11.9 68 67 A I < - 0 0 1 -5,-2.5 -2,-0.2 -8,-0.1 -1,-0.2 -0.920 66.7-131.3-117.6 96.3 87.0 53.2 14.9 69 68 A P + 0 0 18 0, 0.0 -25,-2.7 0, 0.0 2,-0.3 -0.269 41.1 166.3 -52.5 129.5 85.4 51.2 17.8 70 69 A S E -a 44 0A 3 -27,-0.2 2,-0.3 -10,-0.2 -25,-0.2 -0.998 19.1-173.7-152.4 142.1 82.7 53.4 19.2 71 70 A V E -a 45 0A 12 -27,-2.2 -25,-2.5 -2,-0.3 2,-0.5 -0.997 25.7-121.3-139.8 146.9 79.7 53.0 21.5 72 71 A F E -a 46 0A 44 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.756 23.2-163.9 -84.7 126.2 76.8 55.2 22.6 73 72 A L - 0 0 4 -27,-3.1 -25,-0.3 -2,-0.5 5,-0.0 -0.958 19.7-131.8-109.5 117.4 76.7 55.8 26.4 74 73 A H > - 0 0 22 -2,-0.6 4,-2.1 1,-0.2 5,-0.1 -0.488 13.5-143.1 -69.9 126.5 73.3 57.1 27.5 75 74 A P T 4 S+ 0 0 0 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.752 98.0 43.9 -71.6 -21.8 74.1 60.0 29.8 76 75 A S T >4 S+ 0 0 0 2,-0.2 3,-1.2 1,-0.1 4,-0.1 0.884 114.6 50.0 -77.2 -46.7 71.3 59.3 32.3 77 76 A E G >4>S+ 0 0 13 1,-0.3 3,-2.3 2,-0.2 5,-1.3 0.816 97.3 69.2 -61.2 -30.9 72.0 55.6 32.3 78 77 A A G ><>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.3 3,-1.4 0.856 92.8 60.0 -55.6 -32.0 75.7 56.3 32.9 79 78 A Q G < 5S+ 0 0 15 -3,-1.2 698,-2.5 -4,-0.4 -1,-0.3 0.449 100.6 55.0 -81.0 0.9 74.8 57.5 36.4 80 79 A H B < 5S-E 776 0B 17 -3,-2.3 363,-0.4 696,-0.2 -1,-0.3 0.143 137.5 -68.0-119.4 18.0 73.3 54.1 37.3 81 80 A G T X 5S+ 0 0 0 -3,-1.4 3,-2.2 694,-0.7 -3,-0.2 0.004 108.6 103.5 125.3 -27.4 76.4 52.0 36.5 82 81 A D G > < + 0 0 25 -5,-1.3 3,-2.1 1,-0.3 -4,-0.3 0.658 64.5 82.6 -65.5 -15.4 76.9 52.2 32.7 83 82 A L G > - 0 0 27 -44,-0.1 3,-1.8 1,-0.1 -44,-0.2 -0.840 38.8 -75.5-124.8 166.2 88.3 52.1 29.6 88 87 A E T 3 S+ 0 0 149 -2,-0.3 -45,-0.1 1,-0.3 -1,-0.1 -0.312 117.4 21.3 -60.6 141.2 91.7 53.7 29.6 89 88 A N T 3 S+ 0 0 56 1,-0.2 -47,-0.4 -47,-0.1 -1,-0.3 0.416 88.3 142.3 79.2 -1.0 92.3 55.7 26.5 90 89 A D < - 0 0 3 -3,-1.8 29,-0.5 -48,-0.2 2,-0.4 -0.196 37.6-148.5 -66.2 167.2 88.7 56.3 25.6 91 90 A L E -bc 44 119A 0 -48,-1.8 -46,-3.0 27,-0.1 2,-0.4 -0.997 7.3-134.3-140.1 135.5 87.5 59.6 24.2 92 91 A L E -bc 45 120A 5 27,-2.4 29,-2.5 -2,-0.4 2,-0.5 -0.774 12.3-169.7 -97.1 135.9 84.1 61.3 24.6 93 92 A L E -bc 46 121A 0 -48,-2.7 -46,-1.8 -2,-0.4 2,-0.4 -0.974 18.6-170.8-119.5 108.6 82.1 62.8 21.8 94 93 A L E -bc 47 122A 0 27,-3.1 29,-2.8 -2,-0.5 2,-0.5 -0.874 11.6-158.5-107.7 134.4 79.2 64.8 23.5 95 94 A I E + c 0 123A 0 -48,-2.8 -46,-0.5 -2,-0.4 2,-0.3 -0.953 24.6 152.4-115.6 120.0 76.3 66.3 21.6 96 95 A S - 0 0 1 27,-2.6 29,-0.5 -2,-0.5 30,-0.4 -0.912 26.1-164.9-144.6 111.4 74.3 69.1 23.3 97 96 A N S S+ 0 0 58 -2,-0.3 28,-1.7 27,-0.2 29,-0.4 0.961 97.8 38.6 -61.1 -50.4 72.5 71.7 21.2 98 97 A S S S- 0 0 51 27,-0.1 -1,-0.2 26,-0.1 26,-0.1 0.718 103.0-133.3 -68.2 -24.6 72.1 74.1 24.2 99 98 A G S S+ 0 0 0 24,-0.2 32,-1.6 30,-0.1 33,-0.3 0.621 93.9 71.7 74.6 12.0 75.6 73.2 25.5 100 99 A K + 0 0 145 30,-0.1 2,-0.1 29,-0.1 5,-0.1 0.071 58.8 160.0-143.6 26.3 74.1 72.8 29.0 101 100 A T >> - 0 0 21 1,-0.1 4,-2.5 2,-0.1 3,-0.7 -0.346 41.9-132.0 -57.4 126.1 72.1 69.6 28.8 102 101 A R H 3> S+ 0 0 79 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.864 102.5 44.1 -47.7 -53.6 71.6 68.4 32.3 103 102 A E H 3> S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.793 113.3 51.2 -71.1 -27.1 72.6 64.8 31.8 104 103 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.884 110.1 48.9 -76.6 -38.6 75.6 65.7 29.7 105 104 A V H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.942 115.1 46.2 -60.9 -45.7 76.9 68.2 32.3 106 105 A E H X S+ 0 0 50 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.928 110.8 52.7 -63.1 -44.1 76.4 65.5 34.9 107 106 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.924 107.7 51.0 -57.7 -46.6 78.1 62.9 32.7 108 107 A T H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 111.3 47.5 -61.6 -41.7 81.2 65.1 32.2 109 108 A Q H X S+ 0 0 111 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.933 115.4 44.4 -64.4 -45.6 81.6 65.6 36.0 110 109 A L H X S+ 0 0 25 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 114.0 49.8 -67.9 -39.9 81.1 61.9 36.8 111 110 A A H X S+ 0 0 2 -4,-3.1 4,-2.9 -5,-0.2 7,-0.2 0.913 109.8 51.7 -64.6 -40.0 83.4 60.8 33.9 112 111 A H H < S+ 0 0 100 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.882 108.8 50.3 -64.4 -40.4 86.1 63.3 35.1 113 112 A N H < S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.5 45.1 -62.1 -42.8 85.9 61.9 38.7 114 113 A L H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.912 137.7 3.1 -65.6 -45.1 86.3 58.4 37.3 115 114 A N >< - 0 0 50 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.3 -0.758 61.1-170.3-149.7 92.5 89.2 59.3 34.9 116 115 A P T 3 S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.697 85.6 63.4 -63.9 -18.6 90.5 62.9 34.9 117 116 A G T 3 S+ 0 0 58 -5,-0.1 -5,-0.1 2,-0.1 2,-0.0 0.564 74.5 116.2 -79.2 -11.5 92.6 62.3 31.8 118 117 A L < - 0 0 20 -3,-1.9 2,-0.2 -7,-0.2 -27,-0.1 -0.352 53.8-151.8 -58.6 135.2 89.5 61.6 29.6 119 118 A K E -c 91 0A 70 -29,-0.5 -27,-2.4 -87,-0.1 2,-0.4 -0.691 7.0-153.2-105.5 161.9 89.1 64.2 26.8 120 119 A F E -c 92 0A 22 -2,-0.2 16,-2.2 -29,-0.2 17,-1.3 -0.998 14.3-158.7-144.4 143.6 86.0 65.4 25.1 121 120 A I E -cd 93 137A 0 -29,-2.5 -27,-3.1 -2,-0.4 2,-0.4 -0.917 21.9-156.9-106.1 135.8 84.8 66.8 21.9 122 121 A V E -cd 94 138A 0 15,-2.6 17,-3.1 -2,-0.4 2,-0.5 -0.972 11.4-159.0-122.1 134.3 81.5 68.6 22.0 123 122 A I E +cd 95 139A 0 -29,-2.8 -27,-2.6 -2,-0.4 2,-0.3 -0.949 35.8 151.7-105.7 123.1 79.1 69.3 19.2 124 123 A T E - d 0 140A 0 15,-2.1 17,-2.3 -2,-0.5 18,-0.4 -0.978 56.6-135.6-151.2 155.8 76.9 72.2 20.1 125 124 A G S S+ 0 0 7 -28,-1.7 -27,-0.1 -29,-0.5 -28,-0.1 0.500 101.7 56.8 -86.4 -8.0 74.8 75.1 18.9 126 125 A N > + 0 0 62 -29,-0.4 3,-2.1 -30,-0.4 6,-0.4 -0.742 56.1 177.2-129.6 87.8 76.3 77.3 21.6 127 126 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 0.623 82.6 61.7 -66.4 -9.7 80.1 77.6 21.6 128 127 A D T 3 S+ 0 0 147 4,-0.1 -29,-0.0 5,-0.0 -2,-0.0 0.421 84.4 110.2 -91.3 1.5 79.9 80.0 24.5 129 128 A S S <> S- 0 0 4 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.203 83.6-106.5 -73.6 166.9 78.3 77.5 26.8 130 129 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.952 120.5 48.2 -53.3 -54.8 79.8 75.7 29.9 131 130 A L H > S+ 0 0 4 -32,-1.6 4,-1.2 1,-0.2 -31,-0.1 0.904 113.2 48.5 -54.8 -46.9 80.2 72.4 28.1 132 131 A A H 4 S+ 0 0 6 -6,-0.4 3,-0.4 -33,-0.3 -1,-0.2 0.919 111.6 49.7 -58.6 -45.2 81.8 74.2 25.1 133 132 A S H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.4 43.9 -65.8 -37.7 84.2 76.1 27.3 134 133 A E H < S+ 0 0 138 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.611 94.0 106.3 -79.5 -17.6 85.3 73.0 29.2 135 134 A S S < S- 0 0 19 -4,-1.2 -14,-0.2 -3,-0.4 3,-0.2 -0.233 70.3-137.2 -66.3 154.7 85.7 70.8 26.1 136 135 A D S S+ 0 0 83 -16,-2.2 2,-0.3 1,-0.3 -15,-0.2 0.860 96.8 11.6 -72.0 -36.3 89.0 69.8 24.6 137 136 A V E S-d 121 0A 11 -17,-1.3 -15,-2.6 -108,-0.0 2,-0.5 -0.993 71.4-157.6-143.1 137.1 87.5 70.6 21.1 138 137 A C E -d 122 0A 35 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.978 3.0-167.7-121.6 122.7 84.3 72.4 20.3 139 138 A L E -d 123 0A 2 -17,-3.1 -15,-2.1 -2,-0.5 2,-0.3 -0.959 16.1-147.8-108.6 118.4 82.5 71.9 17.0 140 139 A S E -d 124 0A 23 -2,-0.5 -15,-0.2 -119,-0.3 -17,-0.0 -0.638 14.4-152.0 -89.8 141.9 79.7 74.4 16.3 141 140 A T - 0 0 1 -17,-2.3 -16,-0.2 -2,-0.3 -1,-0.1 0.570 42.2-119.5 -77.5 -13.9 76.6 73.7 14.4 142 141 A G - 0 0 28 -18,-0.4 -17,-0.1 1,-0.2 -2,-0.1 0.532 42.8-106.6 80.9 6.9 76.3 77.4 13.4 143 142 A H - 0 0 128 -19,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.832 48.0-164.5 29.1 66.3 73.0 77.3 15.2 144 143 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 13,-0.1 -0.301 27.9 -94.9 -65.4 154.0 70.7 77.4 12.2 145 144 A A - 0 0 89 11,-0.1 2,-0.1 1,-0.1 11,-0.1 -0.463 43.9-114.6 -65.8 137.8 67.0 78.3 12.6 146 145 A E - 0 0 32 5,-0.4 -1,-0.1 -2,-0.1 7,-0.0 -0.475 9.4-138.3 -70.2 150.5 64.8 75.2 12.9 147 146 A V + 0 0 13 6,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.472 65.6 123.6 -89.9 -5.4 62.3 74.5 10.0 148 147 A C S > S- 0 0 9 5,-0.5 3,-1.2 1,-0.1 219,-0.1 -0.236 74.5-122.5 -43.3 139.2 59.7 73.5 12.6 149 148 A T T 3 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.1 218,-0.0 0.745 117.0 42.4 -62.9 -24.5 56.5 75.7 12.3 150 149 A L T 3 S- 0 0 53 226,-0.1 -1,-0.3 227,-0.0 -2,-0.1 0.380 112.1-121.6 -97.8 -0.1 57.0 76.7 15.9 151 150 A G S < S+ 0 0 46 -3,-1.2 -5,-0.4 2,-0.1 -2,-0.1 0.614 91.4 91.6 67.5 15.8 60.8 77.2 15.5 152 151 A X + 0 0 54 -7,-0.1 -1,-0.1 2,-0.1 3,-0.0 0.791 50.7 92.0-110.8 -45.3 61.3 74.6 18.3 153 152 A T S S- 0 0 0 1,-0.1 -5,-0.5 -7,-0.0 2,-0.3 -0.388 81.3-110.3 -69.7 132.0 61.7 71.0 16.9 154 153 A P S S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.484 71.2 121.3 -65.9 120.4 65.2 69.8 16.2 155 154 A T S > S+ 0 0 0 -2,-0.3 4,-2.5 -7,-0.0 5,-0.2 0.222 76.6 27.7-146.3 -85.9 65.4 69.6 12.4 156 155 A T H > S+ 0 0 1 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.881 122.7 56.7 -56.9 -35.4 68.1 71.7 10.8 157 156 A S H > S+ 0 0 3 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 110.8 41.4 -61.8 -47.1 70.1 71.4 14.0 158 157 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.840 112.1 55.3 -72.5 -28.5 70.0 67.6 13.9 159 158 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.961 110.5 46.4 -65.2 -48.7 70.7 67.5 10.1 160 159 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.918 110.5 53.9 -54.6 -44.0 73.8 69.7 10.8 161 160 A X H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.885 107.4 49.4 -60.5 -42.4 74.8 67.3 13.6 162 161 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.0 50.7 -68.2 -34.6 74.6 64.3 11.4 163 162 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.908 106.8 53.1 -67.6 -42.2 76.7 66.0 8.7 164 163 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.945 109.1 51.3 -57.5 -44.1 79.3 66.9 11.4 165 164 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 108.9 49.6 -51.1 -50.1 79.3 63.2 12.2 166 165 A D H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.904 109.9 52.3 -58.5 -43.9 79.9 62.3 8.6 167 166 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.927 109.1 48.1 -59.8 -52.1 82.8 64.8 8.4 168 167 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 114.6 47.1 -54.9 -43.8 84.5 63.4 11.4 169 168 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.917 114.0 46.1 -65.9 -47.4 84.2 59.9 10.0 170 169 A V H X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.916 114.7 45.8 -63.5 -45.9 85.4 60.7 6.5 171 170 A Q H X S+ 0 0 7 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.892 114.8 49.6 -68.0 -36.0 88.4 62.8 7.7 172 171 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.930 108.1 51.2 -65.3 -45.5 89.3 60.1 10.2 173 172 A X H X>S+ 0 0 2 -4,-2.6 5,-1.4 1,-0.2 4,-0.7 0.771 107.7 55.1 -69.8 -25.0 89.1 57.2 7.6 174 173 A K H <5S+ 0 0 87 -4,-1.6 3,-0.4 3,-0.2 -1,-0.2 0.949 111.9 43.5 -62.0 -51.1 91.4 59.2 5.3 175 174 A R H <5S+ 0 0 104 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.875 117.3 43.7 -63.7 -43.1 93.9 59.4 8.1 176 175 A T H <5S- 0 0 18 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.560 102.4-133.4 -82.3 -8.7 93.6 55.8 9.1 177 176 A E T <5 - 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0 0 156 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.861 28.3-162.2 57.8 39.2 87.9 42.6 44.8 767 177 D F < - 0 0 12 -5,-1.4 2,-0.2 -112,-0.1 -1,-0.2 -0.245 8.4-146.0 -51.7 136.4 85.7 45.4 43.6 768 178 D T > - 0 0 57 -3,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.670 24.9-113.9-111.9 165.7 85.3 48.1 46.2 769 179 D I H > S+ 0 0 78 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 117.7 56.2 -64.0 -36.5 82.7 50.5 47.5 770 180 D E H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 108.9 45.7 -58.7 -45.4 84.9 53.4 46.2 771 181 D E H 4 S+ 0 0 76 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.875 112.1 52.0 -68.1 -36.3 85.0 51.9 42.7 772 182 D Y H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.946 107.3 53.2 -60.1 -46.7 81.2 51.4 42.9 773 183 D S H >< S+ 0 0 31 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.851 101.8 58.7 -59.9 -36.5 80.7 55.0 44.0 774 184 D K T 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.3 -660,-0.2 0.606 106.1 49.6 -70.2 -12.5 82.7 56.3 41.0 775 185 D R T < S+ 0 0 39 -3,-1.7 -694,-0.7 -4,-0.4 -692,-0.5 0.183 110.1 53.5-110.1 13.2 80.3 54.6 38.6 776 186 D H B < S-E 80 0B 5 -3,-1.5 -696,-0.2 -696,-0.2 -697,-0.1 -0.975 88.0 -92.7-144.9 155.3 77.0 55.9 40.1 777 187 D H > - 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