==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-FEB-11 3QVT . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE (INO1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.NEELON,M.F.ROBERTS,B.STEC . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.9 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 . 1 0.3 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 1 2 1 0 1 1 1 2 1 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 2 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 1 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 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 16 0, 0.0 51,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 171.9 29.2 14.8 11.7 2 2 A K E -ab 52 142A 29 139,-2.3 141,-1.7 49,-0.2 2,-0.5 -0.963 360.0-163.8-121.9 139.1 26.8 14.9 14.7 3 3 A V E -ab 53 143A 0 49,-2.6 51,-1.6 -2,-0.4 2,-0.6 -0.972 4.9-160.0-120.7 120.9 24.4 17.6 15.7 4 4 A W E -ab 54 144A 9 139,-2.8 141,-2.8 -2,-0.5 2,-0.5 -0.860 19.6-157.3 -92.7 124.6 22.9 17.6 19.2 5 5 A L E > -ab 55 145A 0 49,-2.4 51,-1.2 -2,-0.6 3,-0.7 -0.907 12.8-145.9-113.6 119.3 19.8 19.7 19.0 6 6 A V E 3 S+ab 56 146A 1 139,-2.7 141,-2.3 -2,-0.5 51,-0.2 -0.709 97.8 24.9 -80.3 124.7 18.2 21.5 22.0 7 7 A G T > S+ 0 0 7 49,-3.1 3,-1.8 -2,-0.5 6,-0.3 0.853 81.9 176.1 82.7 45.5 14.5 21.4 21.3 8 8 A A T < S+ 0 0 0 48,-1.9 49,-0.1 -3,-0.7 -2,-0.1 0.749 70.1 51.4 -60.1 -30.0 14.9 18.3 19.1 9 9 A Y T 3 S+ 0 0 1 47,-0.2 -1,-0.3 4,-0.1 48,-0.1 0.252 85.4 112.1 -93.9 12.0 11.2 17.7 18.4 10 10 A G S <> S- 0 0 20 -3,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.153 81.6-104.2 -77.2 176.8 10.4 21.3 17.3 11 11 A I H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 118.6 45.7 -73.4 -40.8 9.5 22.2 13.8 12 12 A V H > S+ 0 0 29 2,-0.2 4,-1.7 135,-0.2 -1,-0.2 0.902 115.2 48.3 -63.6 -42.3 12.8 23.7 12.7 13 13 A S H > S+ 0 0 1 -6,-0.3 4,-1.9 134,-0.2 -2,-0.2 0.951 115.9 41.7 -66.7 -48.7 14.7 20.8 14.3 14 14 A T H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.859 112.2 53.8 -69.8 -37.9 12.6 18.0 12.7 15 15 A T H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.888 109.7 49.7 -62.0 -36.3 12.4 19.8 9.3 16 16 A A H X S+ 0 0 2 -4,-1.7 4,-3.1 -5,-0.2 -2,-0.2 0.899 111.4 48.7 -68.4 -40.0 16.2 20.0 9.3 17 17 A M H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.926 113.4 46.9 -60.1 -47.6 16.4 16.3 10.2 18 18 A V H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.937 115.4 45.7 -58.9 -50.7 14.0 15.4 7.4 19 19 A G H X S+ 0 0 24 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.928 107.1 56.2 -61.6 -53.6 15.9 17.6 4.9 20 20 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.932 114.8 40.7 -39.0 -53.6 19.3 16.3 5.9 21 21 A R H X S+ 0 0 59 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.830 112.6 52.2 -71.2 -39.5 18.2 12.7 5.1 22 22 A A H X>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 4,-0.8 0.910 112.2 47.6 -62.9 -44.0 16.2 13.5 2.0 23 23 A I H ><5S+ 0 0 24 -4,-2.9 3,-0.9 1,-0.2 5,-0.2 0.956 113.3 48.1 -63.4 -45.6 19.2 15.3 0.6 24 24 A E H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.762 109.1 52.4 -66.0 -30.3 21.5 12.3 1.6 25 25 A R H 3<5S- 0 0 117 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.607 117.6-115.4 -83.9 -7.5 19.1 9.8 0.0 26 26 A G T <<5S+ 0 0 63 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.503 85.4 110.3 97.5 6.1 19.2 11.8 -3.2 27 27 A I < + 0 0 85 -5,-1.9 -4,-0.2 -6,-0.2 -5,-0.1 0.211 67.3 51.4-107.7 17.1 15.6 12.9 -3.3 28 28 A A S S- 0 0 34 -6,-0.5 -2,-0.1 -5,-0.2 -1,-0.0 -0.996 78.6-113.3-150.2 147.6 15.7 16.7 -2.6 29 29 A P - 0 0 89 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 -0.161 25.7-118.5 -74.8 174.6 17.7 19.6 -4.0 30 30 A K > + 0 0 100 6,-0.1 3,-1.6 -7,-0.1 6,-0.2 0.235 63.8 139.7 -98.5 16.8 20.3 21.5 -2.0 31 31 A I T 3 + 0 0 146 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.226 62.2 30.9 -57.5 149.1 18.4 24.8 -2.3 32 32 A G T 3 S+ 0 0 45 1,-0.1 2,-1.0 2,-0.0 -1,-0.2 0.195 86.8 118.0 88.4 -18.4 18.4 26.9 0.9 33 33 A L X - 0 0 9 -3,-1.6 3,-2.5 1,-0.2 4,-0.2 -0.715 42.2-172.0 -93.6 100.0 21.9 25.7 2.0 34 34 A V G > S+ 0 0 18 -2,-1.0 3,-2.3 1,-0.3 6,-0.2 0.889 87.3 63.6 -51.6 -41.7 24.3 28.6 2.2 35 35 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 8,-0.2 0.585 98.3 58.5 -63.0 -7.7 27.2 26.2 2.8 36 36 A E G < S+ 0 0 64 -3,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 0.334 77.6 115.7-103.6 2.8 26.4 24.8 -0.7 37 37 A L S X S- 0 0 67 -3,-2.3 3,-1.6 -4,-0.2 -3,-0.0 -0.330 81.5-109.6 -63.7 152.0 27.0 28.1 -2.5 38 38 A P G > S+ 0 0 95 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.817 114.0 66.6 -59.2 -29.1 29.9 28.1 -4.9 39 39 A H G 3 S+ 0 0 70 1,-0.3 -4,-0.1 3,-0.0 -3,-0.0 0.806 99.5 53.7 -59.7 -26.3 32.0 30.4 -2.7 40 40 A F G X S+ 0 0 1 -3,-1.6 3,-2.0 -6,-0.2 -1,-0.3 0.088 74.2 143.3-100.6 22.6 32.2 27.6 -0.1 41 41 A E T < + 0 0 140 -3,-1.6 -5,-0.1 1,-0.3 -4,-0.0 -0.381 64.9 38.1 -60.8 137.3 33.5 24.8 -2.4 42 42 A G T > S+ 0 0 26 -2,-0.1 3,-2.3 3,-0.0 4,-0.4 0.107 80.4 110.4 104.5 -19.4 35.9 22.6 -0.5 43 43 A I G X> + 0 0 2 -3,-2.0 4,-3.1 1,-0.3 3,-2.2 0.862 66.6 69.9 -53.6 -39.4 33.9 22.8 2.7 44 44 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.554 87.4 67.5 -55.4 -9.7 33.0 19.1 2.3 45 45 A K G <4 S+ 0 0 152 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.819 118.3 20.7 -75.1 -31.4 36.7 18.5 3.0 46 46 A Y T <4 S+ 0 0 40 -3,-2.2 -2,-0.2 -4,-0.4 -3,-0.1 0.733 142.6 20.0-107.5 -34.6 36.1 19.6 6.6 47 47 A A S < S- 0 0 0 -4,-3.1 -2,-0.2 301,-0.0 -1,-0.2 -0.642 76.1-166.5-144.8 75.8 32.3 19.3 7.0 48 48 A P - 0 0 51 0, 0.0 2,-1.9 0, 0.0 -3,-0.1 -0.222 41.2 -94.2 -61.8 154.4 30.7 16.9 4.5 49 49 A F S S+ 0 0 28 -26,-0.0 2,-0.3 2,-0.0 -5,-0.0 -0.535 86.1 118.8 -71.7 87.5 27.0 16.8 4.0 50 50 A S - 0 0 61 -2,-1.9 2,-0.4 2,-0.1 -29,-0.1 -0.818 39.6-175.6-163.0 113.4 26.5 13.9 6.4 51 51 A F - 0 0 7 -2,-0.3 2,-0.4 -34,-0.1 -49,-0.2 -0.934 21.1-177.8-130.9 134.1 24.5 14.0 9.7 52 52 A E E -a 2 0A 115 -51,-1.7 -49,-2.6 -2,-0.4 2,-0.3 -0.964 27.7-149.5-116.0 143.7 23.5 12.0 12.8 53 53 A F E +a 3 0A 23 -2,-0.4 2,-0.3 -51,-0.2 41,-0.2 -0.853 28.9 145.9-119.7 150.3 21.1 13.5 15.2 54 54 A G E +a 4 0A 7 -51,-1.6 -49,-2.4 -2,-0.3 2,-0.3 -0.881 19.6 150.9-148.8-174.4 20.3 13.5 18.9 55 55 A G E -a 5 0A 1 39,-0.3 41,-2.7 -51,-0.3 2,-0.4 -0.949 39.2 -80.7 166.7 176.6 19.0 16.2 21.3 56 56 A H E +ac 6 96A 0 -51,-1.2 -49,-3.1 -2,-0.3 -48,-1.9 -0.863 39.6 168.0-105.9 142.1 17.1 17.4 24.4 57 57 A E E - c 0 97A 15 39,-2.5 41,-2.0 -2,-0.4 3,-0.1 -0.969 31.1-161.0-143.3 160.5 13.3 17.9 24.6 58 58 A I S S+ 0 0 18 -2,-0.3 56,-2.6 39,-0.2 2,-1.1 0.557 86.0 71.7-114.4 -18.2 10.7 18.6 27.3 59 59 A R S S- 0 0 15 54,-0.2 2,-0.7 2,-0.0 54,-0.2 -0.817 81.7-155.2 -92.6 95.6 7.7 17.5 25.2 60 60 A L + 0 0 63 -2,-1.1 2,-0.3 52,-0.3 36,-0.0 -0.720 25.7 161.3 -88.9 118.4 8.4 13.8 25.2 61 61 A L - 0 0 48 -2,-0.7 34,-0.2 34,-0.0 3,-0.1 -0.692 55.7 -94.4-107.8 174.4 7.0 12.0 22.2 62 62 A S S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.703 89.0 -29.9 -68.1 -27.5 8.4 8.5 21.3 63 63 A N S > S- 0 0 19 31,-0.1 4,-1.4 -54,-0.0 31,-0.2 -0.954 70.2 -81.5 179.4 172.8 10.9 9.6 18.6 64 64 A A H > S+ 0 0 0 29,-3.3 4,-2.1 26,-0.9 27,-0.2 0.688 119.3 59.4 -74.4 -19.7 11.8 12.2 16.0 65 65 A Y H > S+ 0 0 19 25,-0.6 4,-2.6 28,-0.3 -1,-0.2 0.949 105.9 47.5 -72.8 -49.4 9.6 10.6 13.3 66 66 A E H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.862 114.7 48.5 -53.5 -38.0 6.4 11.0 15.4 67 67 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.884 111.3 48.7 -72.4 -40.6 7.5 14.6 16.1 68 68 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.864 110.6 51.1 -64.8 -40.6 8.2 15.3 12.4 69 69 A K H X S+ 0 0 68 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.816 104.5 57.2 -68.7 -33.0 4.8 13.9 11.3 70 70 A E H X S+ 0 0 64 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.938 112.0 40.8 -64.0 -47.8 2.9 15.9 13.9 71 71 A H H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 5,-0.3 0.858 115.4 52.4 -67.2 -35.5 4.2 19.2 12.4 72 72 A W H X S+ 0 0 7 -4,-2.0 4,-3.5 2,-0.2 -2,-0.2 0.943 102.3 58.8 -65.2 -47.8 3.8 17.8 8.9 73 73 A E H < S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.3 36.2 -46.8 -42.1 0.2 16.9 9.5 74 74 A L H < S+ 0 0 104 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.801 132.8 26.2 -81.8 -30.9 -0.6 20.6 10.4 75 75 A N H < - 0 0 25 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.763 69.2-158.8-109.8 -33.7 1.8 22.2 7.8 76 76 A R < + 0 0 132 -4,-3.5 -4,-0.1 -5,-0.3 -3,-0.1 0.903 34.9 155.2 49.6 45.7 2.4 19.8 4.9 77 77 A H + 0 0 24 -6,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.417 62.5 28.9 -91.5 -3.0 5.6 21.9 4.2 78 78 A F S S- 0 0 36 -6,-0.1 2,-0.1 0, 0.0 -3,-0.0 -0.922 101.9 -79.7-142.1 171.6 7.3 19.0 2.4 79 79 A D >> - 0 0 95 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.347 29.2-123.9 -76.3 151.2 5.9 16.1 0.4 80 80 A R H 3> S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.861 112.3 61.4 -57.0 -37.6 4.4 12.9 1.9 81 81 A E H 3> S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 102.2 50.7 -65.3 -29.9 6.9 10.9 -0.1 82 82 A I H <> S+ 0 0 27 -3,-0.7 4,-2.1 2,-0.2 3,-0.3 0.974 108.5 51.6 -66.1 -55.2 9.8 12.6 1.8 83 83 A L H < S+ 0 0 6 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.846 111.5 47.5 -47.3 -42.6 8.2 11.8 5.1 84 84 A E H >< S+ 0 0 121 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.881 110.8 52.2 -66.6 -40.7 7.9 8.2 4.2 85 85 A A H 3< S+ 0 0 36 -4,-1.5 4,-0.3 -3,-0.3 3,-0.2 0.843 116.0 37.7 -68.1 -37.2 11.5 8.0 2.9 86 86 A V T 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.271 88.7 101.1 -97.6 7.2 13.1 9.3 6.0 87 87 A K H <> S+ 0 0 85 -3,-0.8 4,-2.4 -4,-0.2 -1,-0.2 0.928 81.5 46.8 -60.1 -49.1 10.7 7.6 8.5 88 88 A S H > S+ 0 0 88 -4,-0.4 4,-1.0 -3,-0.2 -1,-0.2 0.926 112.7 49.2 -64.0 -48.2 13.1 4.8 9.4 89 89 A D H >4 S+ 0 0 43 -4,-0.3 3,-1.0 1,-0.2 4,-0.2 0.956 114.1 45.9 -53.1 -53.3 16.0 7.1 10.0 90 90 A L H >< S+ 0 0 2 -4,-2.4 3,-2.1 1,-0.2 -26,-0.9 0.839 101.3 65.0 -65.0 -30.7 13.9 9.4 12.2 91 91 A E H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 97.7 58.1 -64.6 -26.3 12.4 6.6 14.2 92 92 A G T << S+ 0 0 66 -3,-1.0 2,-0.7 -4,-1.0 -1,-0.3 0.503 87.2 90.9 -73.3 -7.8 15.9 5.9 15.4 93 93 A I < + 0 0 18 -3,-2.1 -29,-3.3 -4,-0.2 2,-0.5 -0.836 53.5 172.6 -98.3 114.3 16.2 9.5 16.8 94 94 A V - 0 0 90 -2,-0.7 -39,-0.3 -31,-0.2 -31,-0.1 -0.968 22.4-138.2-122.2 112.7 15.0 9.6 20.4 95 95 A A - 0 0 9 -2,-0.5 2,-0.3 -34,-0.2 -39,-0.2 -0.240 13.8-130.4 -68.4 156.0 15.4 12.9 22.5 96 96 A R E -c 56 0A 123 -41,-2.7 -39,-2.5 34,-0.0 2,-0.5 -0.716 35.3 -86.0-104.8 157.1 16.5 12.9 26.1 97 97 A K E -c 57 0A 52 -2,-0.3 -39,-0.2 -41,-0.2 18,-0.1 -0.528 53.0-175.8 -70.8 116.0 14.8 14.8 28.9 98 98 A G - 0 0 0 -41,-2.0 18,-2.0 -2,-0.5 2,-0.4 -0.011 24.4 -94.8 -93.1-161.8 16.1 18.4 29.1 99 99 A T - 0 0 3 16,-0.2 86,-0.1 17,-0.2 -41,-0.1 -0.967 16.8-171.1-124.0 134.6 15.5 21.4 31.5 100 100 A A > + 0 0 12 -2,-0.4 3,-1.7 -42,-0.1 4,-0.1 -0.112 31.3 166.7-109.3 33.7 13.0 24.2 31.1 101 101 A L T 3 S- 0 0 13 1,-0.3 80,-2.2 2,-0.1 81,-0.2 -0.273 71.1 -16.4 -57.2 121.1 14.5 26.1 34.0 102 102 A N T 3 S+ 0 0 80 78,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.820 87.1 147.4 52.0 36.8 13.3 29.7 34.2 103 103 A C < - 0 0 11 -3,-1.7 4,-0.3 1,-0.2 -1,-0.1 0.157 56.7-111.9 -92.0 19.6 11.9 29.5 30.5 104 104 A G > - 0 0 25 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 0.109 35.2 -65.3 83.2 169.2 9.1 31.9 31.2 105 105 A S G > S+ 0 0 59 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.790 116.7 75.2 -70.3 -33.7 5.3 31.6 31.4 106 106 A G G > S+ 0 0 0 1,-0.3 3,-1.5 158,-0.2 -1,-0.2 0.635 76.0 78.7 -50.2 -25.6 4.8 30.7 27.6 107 107 A I G X S+ 0 0 15 -3,-1.1 3,-1.4 -4,-0.3 -1,-0.3 0.714 78.8 72.3 -57.6 -25.6 6.1 27.1 28.2 108 108 A K G X S+ 0 0 160 -3,-2.0 3,-1.5 1,-0.2 -1,-0.3 0.843 85.4 67.6 -54.9 -32.9 2.6 26.4 29.6 109 109 A E G < S+ 0 0 86 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.494 83.6 71.2 -71.4 -9.3 1.4 26.6 26.0 110 110 A L G < S- 0 0 15 -3,-1.4 2,-0.3 1,-0.3 -1,-0.3 0.492 90.5-150.7 -82.3 -9.3 3.3 23.4 25.0 111 111 A G < + 0 0 52 -3,-1.5 2,-0.7 -4,-0.2 -1,-0.3 -0.579 64.9 34.9 78.4-128.5 0.9 21.2 27.0 112 112 A D S S+ 0 0 120 -2,-0.3 2,-0.3 -53,-0.0 -52,-0.3 -0.453 75.1 162.2 -69.4 105.0 2.3 17.9 28.4 113 113 A I - 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0 0 2 -3,-2.7 2,-0.3 -4,-0.1 -24,-0.1 -0.872 53.7-169.3-113.2 142.6 20.2 30.3 35.8 180 180 A S >> - 0 0 4 -2,-0.4 4,-1.6 24,-0.1 3,-1.0 -0.941 35.7-110.8-124.9 156.7 18.1 29.7 32.7 181 181 A A H 3> S+ 0 0 2 -80,-2.2 4,-1.9 -2,-0.3 5,-0.2 0.867 113.9 59.5 -52.9 -41.6 18.1 26.5 30.7 182 182 A S H 3> S+ 0 0 1 1,-0.2 4,-1.5 -81,-0.2 -1,-0.2 0.835 106.5 48.8 -60.8 -31.8 19.8 28.0 27.6 183 183 A M H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.874 108.4 54.0 -72.3 -40.3 22.8 28.9 29.7 184 184 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.853 110.5 44.9 -62.0 -36.3 23.0 25.4 31.2 185 185 A Y H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.876 113.5 50.5 -76.3 -37.9 23.1 23.7 27.8 186 186 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 5,-0.2 0.896 112.6 47.4 -58.2 -49.9 25.6 26.2 26.5 187 187 A Y H X S+ 0 0 15 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.915 110.7 51.3 -57.8 -50.9 27.8 25.5 29.6 188 188 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.925 113.2 45.5 -55.0 -43.6 27.4 21.8 29.2 189 189 A A H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 -2,-0.2 0.872 115.8 43.9 -73.1 -36.3 28.5 21.9 25.6 190 190 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.905 110.3 55.2 -77.2 -41.4 31.5 24.2 26.0 191 191 A K H 3<5S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.0 50.3 -53.3 -32.9 32.7 22.3 29.2 192 192 A L T 3<5S- 0 0 49 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.368 120.4-114.0 -89.7 3.6 32.7 19.2 27.0 193 193 A G T < 5 + 0 0 27 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.691 68.8 141.0 70.3 22.7 34.7 21.1 24.3 194 194 A L < - 0 0 9 -5,-3.1 -1,-0.2 -6,-0.2 -51,-0.2 -0.753 57.0-111.5 -93.5 140.7 31.9 21.0 21.7 195 195 A P - 0 0 0 0, 0.0 -51,-2.5 0, 0.0 2,-0.4 -0.399 39.4-159.9 -61.7 151.5 31.1 24.0 19.4 196 196 A Y E -de 144 221A 0 24,-1.1 26,-2.2 -53,-0.2 2,-0.4 -0.992 16.1-173.9-137.4 138.2 27.8 25.6 20.2 197 197 A A E -de 145 222A 1 -53,-2.0 -51,-2.8 -2,-0.4 2,-0.6 -0.994 15.5-146.3-130.0 150.4 25.3 27.9 18.4 198 198 A N E -d 146 0A 0 24,-2.0 27,-1.5 -2,-0.4 26,-0.5 -0.938 13.2-179.1-109.5 109.7 22.2 29.6 19.7 199 199 A F + 0 0 20 -53,-2.4 27,-3.7 -2,-0.6 -52,-0.1 0.560 65.6 61.9 -86.3 -1.4 19.4 29.8 17.1 200 200 A T S S- 0 0 8 25,-0.3 25,-0.6 -54,-0.3 24,-0.3 -0.638 91.5-108.2-123.1 166.5 17.0 31.7 19.4 201 201 A P S S+ 0 0 20 0, 0.0 -51,-0.0 0, 0.0 76,-0.0 0.350 80.1 118.0 -83.0 3.8 17.0 35.0 21.3 202 202 A S S S- 0 0 2 -54,-0.2 22,-0.1 1,-0.1 4,-0.1 -0.244 81.6-110.2 -54.4 158.6 17.5 33.2 24.6 203 203 A P > + 0 0 17 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.901 58.7 155.1 -61.7 -41.2 20.9 34.2 26.2 204 204 A G T 3 S- 0 0 0 1,-0.3 6,-0.1 2,-0.1 3,-0.1 -0.270 78.1 -14.2 51.8-120.5 22.6 30.8 25.7 205 205 A S T 3 S+ 0 0 0 1,-0.2 2,-0.6 17,-0.2 -1,-0.3 0.319 108.8 105.0 -95.8 5.7 26.4 31.4 25.6 206 206 A A < + 0 0 32 -3,-2.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.129 56.3 93.3 -82.7 35.7 26.1 35.2 25.1 207 207 A I S >> S- 0 0 7 -2,-0.6 4,-1.8 -3,-0.1 3,-0.5 -0.910 85.6-116.3-121.0 151.8 27.1 36.1 28.7 208 208 A P H 3> S+ 0 0 58 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.893 112.0 62.3 -57.8 -39.4 30.8 36.8 29.6 209 209 A A H 3> S+ 0 0 0 -48,-2.5 4,-1.6 -46,-0.3 -45,-0.2 0.911 111.9 37.7 -47.6 -47.1 31.1 33.8 31.9 210 210 A L H <> S+ 0 0 0 -3,-0.5 4,-1.7 -49,-0.2 -1,-0.2 0.751 113.5 54.0 -85.9 -23.8 30.4 31.6 28.9 211 211 A K H X S+ 0 0 55 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 110.0 49.3 -68.5 -47.2 32.4 33.6 26.4 212 212 A E H X S+ 0 0 92 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.857 110.9 50.6 -56.6 -40.1 35.4 33.4 28.8 213 213 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.894 107.2 53.6 -67.2 -36.0 34.8 29.6 29.0 214 214 A A H X>S+ 0 0 0 -4,-1.7 5,-3.0 2,-0.2 4,-0.8 0.944 112.1 44.1 -64.4 -48.2 34.7 29.3 25.2 215 215 A E H ><5S+ 0 0 93 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.940 115.4 47.9 -56.0 -53.7 38.1 31.1 24.8 216 216 A K H 3<5S+ 0 0 159 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.936 116.1 42.4 -58.1 -50.6 39.7 29.2 27.7 217 217 A K H 3<5S- 0 0 93 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.621 111.9-125.3 -70.2 -12.2 38.5 25.8 26.4 218 218 A G T <<5 + 0 0 39 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.840 59.3 146.4 68.3 37.8 39.5 26.9 22.9 219 219 A V < - 0 0 6 -5,-3.0 138,-2.1 -6,-0.2 -1,-0.2 -0.857 45.2-131.4-109.5 132.4 35.9 26.2 21.5 220 220 A P E + f 0 357A 1 0, 0.0 -24,-1.1 0, 0.0 2,-0.3 -0.605 29.1 178.8 -79.6 146.9 34.2 28.3 18.7 221 221 A H E -ef 196 358A 0 136,-1.9 138,-2.5 -2,-0.2 2,-0.3 -0.986 8.6-162.6-145.3 157.2 30.6 29.4 19.3 222 222 A A E -e 197 0A 0 -26,-2.2 -24,-2.0 -2,-0.3 2,-0.3 -0.974 20.5 -6.9-144.6 154.7 28.0 31.5 17.4 223 223 A G - 0 0 4 -2,-0.3 147,-2.7 136,-0.2 143,-0.1 -0.928 25.1-118.2 161.1 175.9 24.7 33.4 17.9 224 224 A N S S- 0 0 11 -26,-0.5 144,-3.1 145,-0.4 143,-0.3 0.522 75.1 -25.4-127.6 147.8 22.3 34.7 18.5 225 225 A D - 0 0 2 -27,-1.5 142,-3.3 -25,-0.6 -25,-0.3 0.898 67.6 -97.9 87.2 105.4 18.8 34.2 16.9 226 226 A G B -G 366 0B 4 -27,-3.7 2,-0.8 140,-0.2 140,-0.3 -0.242 28.7-151.5 -53.7 126.6 18.2 32.9 13.4 227 227 A K + 0 0 8 138,-2.1 -1,-0.1 1,-0.2 -2,-0.0 -0.899 41.1 142.3 -99.1 106.4 17.6 35.8 11.0 228 228 A T - 0 0 21 -2,-0.8 -1,-0.2 111,-0.0 -2,-0.0 0.724 58.2 -9.4-127.1 -31.2 15.4 34.1 8.5 229 229 A G S > S+ 0 0 2 101,-0.0 4,-2.1 99,-0.0 5,-0.2 0.252 121.6 20.8-138.5 -96.7 12.5 36.2 7.1 230 230 A E H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.902 127.6 47.1 -58.1 -39.5 11.2 39.6 8.0 231 231 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 108.3 56.5 -74.3 -32.9 14.5 40.6 9.8 232 232 A L H > S+ 0 0 55 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.867 110.1 44.9 -53.2 -44.8 16.5 39.3 6.8 233 233 A V H >X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 3,-0.7 0.932 111.2 55.0 -69.0 -45.4 14.5 41.7 4.5 234 234 A K H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.879 109.8 44.2 -52.7 -47.3 14.9 44.5 7.1 235 235 A T H 3< S+ 0 0 1 -4,-2.5 142,-1.9 1,-0.2 143,-0.4 0.622 116.8 49.0 -80.3 -8.2 18.8 44.2 7.2 236 236 A T H << S+ 0 0 47 -4,-0.8 4,-0.3 -3,-0.7 -2,-0.2 0.804 119.7 33.1 -88.7 -36.2 18.8 44.0 3.4 237 237 A L H X S+ 0 0 24 -4,-2.6 4,-0.7 2,-0.2 3,-0.5 0.746 103.1 68.9 -98.6 -31.4 16.5 47.0 2.6 238 238 A A H >X S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 4,-1.1 0.925 96.1 58.5 -54.0 -47.7 17.3 49.4 5.4 239 239 A P H 3> S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.823 94.3 66.2 -43.8 -43.6 20.8 50.0 3.9 240 240 A M H 3> S+ 0 0 79 -3,-0.5 4,-0.8 -4,-0.3 -2,-0.2 0.830 100.5 49.7 -49.7 -35.5 19.2 51.1 0.6 241 241 A F H <<>S+ 0 0 3 -3,-1.4 5,-3.3 -4,-0.7 -1,-0.2 0.845 111.8 47.0 -80.8 -34.9 17.8 54.2 2.3 242 242 A A H ><5S+ 0 0 49 -4,-1.1 3,-1.7 3,-0.2 -2,-0.2 0.899 106.7 57.6 -70.2 -43.0 21.2 55.1 3.9 243 243 A Y H 3<5S+ 0 0 143 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 112.1 43.6 -52.6 -26.8 23.0 54.6 0.5 244 244 A R T 3<5S- 0 0 194 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.229 115.3-114.2-109.6 10.8 20.6 57.2 -0.9 245 245 A N T < 5 + 0 0 158 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.870 64.1 148.9 55.6 45.0 20.9 59.7 2.0 246 246 A M < - 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i 0 298C 4 40,-1.5 42,-2.0 -2,-0.4 47,-0.2 -0.955 25.1-154.6-158.5 172.2 1.9 33.1 13.2 258 258 A G > + 0 0 0 45,-2.7 4,-1.9 -2,-0.3 5,-0.2 -0.258 46.5 81.3-130.9-137.9 0.7 30.0 15.0 259 259 A D H > S- 0 0 8 41,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.004 103.9 -42.9 59.8-173.0 2.0 26.5 15.9 260 260 A Y H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.853 138.6 52.3 -61.3 -38.3 4.2 26.0 19.0 261 261 A D H > S+ 0 0 42 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 111.9 44.4 -61.5 -49.2 6.5 29.1 18.3 262 262 A G H X S+ 0 0 1 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.847 112.2 56.0 -65.0 -32.1 3.5 31.5 18.1 263 263 A K H < S+ 0 0 62 -4,-1.9 3,-0.3 -5,-0.2 4,-0.2 0.912 110.0 41.5 -66.2 -52.5 1.9 29.9 21.1 264 264 A V H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 6,-0.3 0.877 115.4 52.4 -60.6 -39.8 5.0 30.4 23.5 265 265 A L H 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.633 88.5 78.7 -75.7 -15.8 5.4 33.9 22.0 266 266 A S T 3< S+ 0 0 53 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.3 0.695 80.6 87.0 -58.8 -20.0 1.8 34.7 22.8 267 267 A A S <> S- 0 0 14 -3,-1.3 4,-2.5 -4,-0.2 5,-0.1 -0.691 82.4-136.1 -87.7 140.2 3.1 35.1 26.4 268 268 A R H > S+ 0 0 213 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.797 100.0 50.4 -72.1 -36.1 4.4 38.6 27.1 269 269 A D H > S+ 0 0 49 2,-0.2 4,-0.5 1,-0.2 -116,-0.5 0.927 116.5 41.1 -68.3 -47.8 7.6 37.7 29.0 270 270 A N H >> S+ 0 0 0 -6,-0.3 4,-0.9 1,-0.2 3,-0.7 0.859 109.9 59.5 -63.0 -42.4 8.7 35.2 26.2 271 271 A K H 3X S+ 0 0 46 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.830 93.9 67.1 -55.0 -37.3 7.6 37.6 23.4 272 272 A E H 3X S+ 0 0 95 -4,-1.0 4,-2.1 -3,-0.2 5,-0.2 0.801 93.6 55.2 -62.1 -38.1 10.0 40.4 24.6 273 273 A S H < S+ 0 0 43 -4,-2.8 3,-1.3 -5,-0.2 4,-0.2 0.933 102.0 59.8 -67.9 -49.7 13.4 45.8 16.6 280 280 A K T 3X S+ 0 0 101 -4,-2.5 4,-1.1 1,-0.3 3,-0.2 0.464 80.6 82.2 -70.6 -12.5 17.0 46.9 17.5 281 281 A V H 3> S+ 0 0 0 -4,-0.4 4,-1.3 -3,-0.4 -1,-0.3 0.749 81.0 68.9 -63.1 -28.2 18.8 46.2 14.2 282 282 A L H X> S+ 0 0 2 -3,-1.3 4,-1.7 1,-0.2 3,-0.7 0.945 99.4 43.6 -61.9 -55.8 17.6 49.5 12.7 283 283 A E H 3> S+ 0 0 69 1,-0.2 4,-3.0 -4,-0.2 3,-0.2 0.909 109.8 57.9 -53.4 -46.1 19.6 51.8 14.8 284 284 A K H 3< S+ 0 0 86 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 114.7 37.5 -61.3 -30.1 22.8 49.7 14.5 285 285 A M H << S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.748 125.2 34.2 -86.7 -32.7 22.6 50.0 10.7 286 286 A L H < S- 0 0 26 -4,-1.7 -2,-0.2 2,-0.3 -3,-0.2 0.801 96.0-123.1-102.9 -31.5 21.5 53.5 10.2 287 287 A G S < S+ 0 0 70 -4,-3.0 2,-0.3 1,-0.3 -4,-0.1 0.297 84.9 51.1 104.3 -5.4 23.1 55.4 13.1 288 288 A Y S S- 0 0 75 -6,-0.2 -1,-0.3 -5,-0.2 -2,-0.3 -0.911 86.3-100.1-154.3 169.6 19.9 56.8 14.6 289 289 A S - 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