==== 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(INTRAMOLECULAR OXIDOREDUCTASE)25-MAR-91 3XIS . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR M.WHITLOW,A.J.HOWARD . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 3 1 2 0 1 1 1 1 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 3 A Y 0 0 108 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 48.6 7.6 38.8 19.2 2 4 A Q - 0 0 163 307,-0.1 2,-0.1 1,-0.0 43,-0.1 -0.690 360.0-136.5 -91.3 123.9 9.1 35.4 19.2 3 5 A P - 0 0 14 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.455 19.4-170.4 -75.3 155.6 11.8 34.7 21.8 4 6 A T > - 0 0 59 -2,-0.1 3,-3.3 1,-0.0 5,-0.3 -0.950 42.0-100.0-137.1 157.7 15.0 32.9 21.0 5 7 A P G > S+ 0 0 73 0, 0.0 3,-1.7 0, 0.0 42,-0.1 0.761 118.9 70.0 -48.7 -26.4 17.7 31.5 23.3 6 8 A E G 3 S+ 0 0 175 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.726 84.9 68.8 -68.2 -14.3 19.7 34.6 22.5 7 9 A D G < S- 0 0 32 -3,-3.3 -1,-0.3 38,-0.2 275,-0.1 0.570 101.9-133.7 -77.7 -11.1 17.2 36.7 24.5 8 10 A R < + 0 0 64 -3,-1.7 274,-2.5 -4,-0.3 2,-0.4 0.763 40.3 168.7 63.6 34.3 18.5 35.0 27.7 9 11 A F E -a 282 0A 1 -5,-0.3 38,-3.2 36,-0.3 39,-1.3 -0.626 8.2-179.5 -80.1 129.1 15.1 34.2 29.2 10 12 A T E -ab 283 48A 0 272,-2.1 274,-2.3 -2,-0.4 2,-0.3 -0.888 11.8-164.5-131.1 154.3 15.2 31.8 32.2 11 13 A F E -ab 284 49A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.2 -0.998 21.8-119.9-136.1 144.6 12.7 30.2 34.6 12 14 A G E >> - b 0 50A 0 272,-1.2 3,-1.8 -2,-0.3 4,-0.8 -0.503 23.1-126.8 -80.6 147.0 12.8 28.4 38.0 13 15 A L H 3> S+ 0 0 13 37,-2.5 4,-1.1 1,-0.3 -1,-0.1 0.846 110.8 60.6 -54.4 -35.6 11.6 24.9 38.1 14 16 A W H 34 S+ 0 0 43 36,-0.2 -1,-0.3 2,-0.1 37,-0.1 0.419 97.1 63.4 -70.8 -5.2 9.3 26.0 41.0 15 17 A T H X4 S+ 0 0 0 -3,-1.8 3,-1.9 2,-0.2 -2,-0.1 0.936 114.0 23.4 -83.9 -73.9 7.5 28.5 38.7 16 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.755 124.9 60.3 -63.7 -18.1 5.8 26.5 36.0 17 19 A G T 3< S+ 0 0 21 -4,-1.1 2,-0.3 -5,-0.4 15,-0.3 0.403 72.0 125.0 -90.0 2.7 6.0 23.6 38.6 18 20 A W < - 0 0 55 -3,-1.9 -3,-0.1 1,-0.2 -4,-0.0 -0.448 50.2-155.2 -66.8 122.4 3.9 25.3 41.3 19 21 A Q - 0 0 81 -2,-0.3 9,-2.3 9,-0.1 10,-1.7 0.578 40.5-107.0 -74.7 -11.8 1.0 23.0 42.2 20 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.2 270,-0.1 0.620 62.3 152.9 97.1 15.8 -1.3 25.7 43.4 21 23 A R + 0 0 125 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.617 16.4 170.4 -79.2 133.1 -1.3 25.2 47.2 22 24 A D B > -J 25 0B 52 3,-1.6 3,-1.5 -2,-0.4 5,-0.0 -0.711 52.8 -83.2-128.9-179.6 -2.0 28.6 49.0 23 25 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.678 129.9 31.7 -59.4 -22.5 -2.7 29.4 52.7 24 26 A F T 3 S+ 0 0 200 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.195 116.6 50.8-119.6 12.3 -6.4 28.6 52.1 25 27 A G B < -J 22 0B 12 -3,-1.5 -3,-1.6 0, 0.0 3,-0.1 -1.000 65.9-118.0-160.5 154.6 -6.4 25.8 49.5 26 28 A D - 0 0 119 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.276 56.1 -69.4 -80.6 169.8 -5.1 22.5 48.3 27 29 A A - 0 0 53 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.249 35.2-169.7 -62.3 144.6 -3.2 21.8 45.1 28 30 A T S S+ 0 0 65 -9,-2.3 2,-0.3 1,-0.1 -8,-0.2 0.435 70.2 48.6-111.3 -6.0 -5.1 22.2 41.8 29 31 A R S S- 0 0 17 -10,-1.7 -1,-0.1 264,-0.1 3,-0.1 -0.983 82.7-113.3-133.8 153.3 -2.4 20.7 39.5 30 32 A R - 0 0 140 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.267 47.2 -86.0 -82.0 162.1 -0.3 17.6 39.6 31 33 A A - 0 0 57 1,-0.0 2,-0.4 -2,-0.0 -1,-0.1 -0.406 39.9-136.3 -68.0 147.5 3.5 17.7 40.1 32 34 A L - 0 0 24 -15,-0.3 -1,-0.0 -3,-0.1 -15,-0.0 -0.890 15.2-122.0-104.4 141.8 5.6 18.2 37.0 33 35 A D >> - 0 0 60 -2,-0.4 4,-1.8 1,-0.1 3,-1.1 -0.669 21.2-127.7 -79.1 136.7 8.8 16.2 36.4 34 36 A P H 3> S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.795 109.5 60.1 -50.6 -36.4 11.8 18.6 36.0 35 37 A V H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 104.9 47.5 -61.4 -40.1 12.6 16.7 32.7 36 38 A E H <> S+ 0 0 69 -3,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.862 109.7 52.6 -68.3 -39.5 9.3 17.7 31.2 37 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.902 107.4 53.0 -61.5 -41.8 9.6 21.3 32.3 38 40 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 112.5 43.8 -58.7 -50.3 13.0 21.5 30.6 39 41 A R H X S+ 0 0 107 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.893 114.5 48.2 -62.9 -44.6 11.6 20.2 27.3 40 42 A R H X S+ 0 0 80 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.900 112.7 48.7 -67.7 -38.3 8.5 22.4 27.3 41 43 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.6 0.895 108.9 53.1 -66.3 -42.9 10.5 25.6 28.2 42 44 A A H ><5S+ 0 0 31 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.877 106.3 53.4 -56.2 -43.8 13.0 24.9 25.4 43 45 A E H 3<5S+ 0 0 149 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.2 53.8 -60.9 -33.8 10.1 24.5 22.9 44 46 A L H 3<5S- 0 0 40 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.563 125.3-100.1 -80.3 -8.5 8.8 28.0 24.0 45 47 A G T <<5 + 0 0 10 -3,-1.0 -36,-0.3 -4,-0.6 -38,-0.2 0.518 66.8 154.1 104.3 4.9 12.2 29.6 23.3 46 48 A A < - 0 0 3 -5,-2.1 -1,-0.2 1,-0.1 -36,-0.2 -0.278 38.0-147.9 -63.1 155.8 13.7 29.8 26.9 47 49 A H - 0 0 40 -38,-3.2 36,-1.7 1,-0.2 2,-0.3 0.711 66.2 -29.8 -92.3 -31.9 17.5 29.9 27.3 48 50 A G E -bc 10 83A 0 -39,-1.3 -37,-1.3 34,-0.2 2,-0.3 -0.983 51.1-116.7-172.6-179.0 17.7 28.1 30.6 49 51 A V E -b 11 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.902 13.9-152.8-133.3 166.5 16.4 27.0 34.0 50 52 A T E -bc 12 86A 0 -39,-1.7 -37,-2.5 -2,-0.3 2,-0.3 -0.896 13.9-167.3-135.0 167.8 17.3 27.5 37.7 51 53 A F E - c 0 87A 0 35,-0.7 37,-2.5 -2,-0.3 2,-0.4 -0.996 25.0-130.8-153.8 155.3 16.6 25.4 40.8 52 54 A H E >> - c 0 88A 17 -2,-0.3 3,-2.1 35,-0.2 4,-1.1 -0.857 44.6-110.2 -91.7 152.7 16.6 25.1 44.6 53 55 A D H >> S+ 0 0 14 35,-1.5 4,-2.6 -2,-0.4 3,-0.9 0.863 119.5 51.4 -47.0 -48.7 18.4 21.9 45.8 54 56 A D H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.585 99.7 62.1 -71.4 -15.7 14.9 20.5 46.9 55 57 A D H <4 S+ 0 0 51 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.808 117.2 30.2 -75.2 -36.9 13.2 21.1 43.6 56 58 A L H << S+ 0 0 7 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.818 128.6 34.1 -90.4 -43.1 15.7 18.7 41.9 57 59 A I S < S- 0 0 15 -4,-2.6 -1,-0.3 -5,-0.2 4,-0.1 -0.948 89.4-120.5-121.5 112.1 16.5 16.2 44.7 58 60 A P > - 0 0 64 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.091 41.6 -92.0 -51.3 135.4 13.7 15.4 47.1 59 61 A F T 3 S+ 0 0 94 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.299 113.0 22.2 -51.9 133.2 14.6 16.2 50.7 60 62 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.567 85.1 159.5 81.9 13.5 16.1 13.2 52.5 61 63 A S < - 0 0 21 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.1 -0.413 40.7-119.7 -67.4 141.6 17.2 11.5 49.3 62 64 A S > - 0 0 52 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.377 31.9-102.8 -74.0 164.0 20.0 8.9 49.6 63 65 A D H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.778 123.4 55.5 -57.2 -30.8 23.2 9.5 47.6 64 66 A S H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 109.1 42.7 -67.3 -55.3 22.0 6.9 45.1 65 67 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.865 111.6 58.6 -60.9 -36.2 18.7 8.6 44.4 66 68 A R H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.946 106.5 46.6 -58.5 -50.7 20.6 11.9 44.3 67 69 A E H X S+ 0 0 88 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.864 111.4 51.2 -61.3 -37.9 22.8 10.7 41.5 68 70 A E H X S+ 0 0 51 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.844 108.9 51.0 -65.9 -40.4 19.9 9.4 39.5 69 71 A H H X S+ 0 0 61 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.926 112.7 46.6 -66.0 -45.8 18.0 12.7 39.8 70 72 A V H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.916 109.8 51.2 -61.0 -53.1 21.1 14.6 38.6 71 73 A K H X S+ 0 0 166 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 110.7 48.9 -57.0 -42.0 21.9 12.3 35.6 72 74 A R H X S+ 0 0 108 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.893 112.7 48.4 -62.2 -37.9 18.3 12.5 34.3 73 75 A F H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 3,-0.2 0.948 110.4 51.1 -66.1 -50.2 18.4 16.3 34.6 74 76 A R H X S+ 0 0 93 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.869 106.4 55.0 -56.4 -39.1 21.7 16.5 32.8 75 77 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.896 106.7 50.4 -62.4 -44.4 20.4 14.4 29.9 76 78 A A H X S+ 0 0 1 -4,-1.6 4,-1.2 -3,-0.2 6,-0.3 0.871 109.4 51.6 -61.2 -36.5 17.5 16.8 29.4 77 79 A L H X>S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 5,-0.6 0.923 111.6 47.0 -65.7 -44.0 19.9 19.7 29.3 78 80 A D H <5S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 111.0 51.6 -66.2 -35.3 22.1 17.9 26.7 79 81 A D H <5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.683 122.0 30.6 -69.7 -30.9 19.0 17.0 24.6 80 82 A T H <5S- 0 0 43 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.631 96.9-122.7-106.9 -18.4 17.7 20.6 24.5 81 83 A G T <5 + 0 0 45 -4,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.504 58.6 153.9 81.8 7.4 20.8 22.9 24.7 82 84 A M < - 0 0 8 -5,-0.6 -1,-0.3 -6,-0.3 -34,-0.2 -0.354 29.7-150.7 -68.7 143.0 19.2 24.5 27.9 83 85 A K E -c 48 0A 118 -36,-1.7 -34,-2.4 -3,-0.1 45,-0.1 -0.707 11.8-138.3-109.3 169.2 21.7 26.0 30.4 84 86 A V E + 0 0 6 43,-0.4 -34,-0.1 -2,-0.2 -36,-0.1 -0.860 27.4 167.6-130.1 92.5 21.6 26.5 34.2 85 87 A P E + 0 0 9 0, 0.0 45,-1.8 0, 0.0 46,-1.5 0.671 63.9 23.1 -84.2 -16.9 22.9 30.0 35.0 86 88 A M E +cd 50 131A 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.991 57.3 179.9-148.4 151.5 21.8 30.2 38.7 87 89 A A E -cd 51 132A 0 44,-1.5 46,-2.0 -2,-0.3 2,-0.3 -0.961 6.7-174.6-144.7 166.1 20.9 27.9 41.6 88 90 A T E -cd 52 133A 5 -37,-2.5 -35,-1.5 -2,-0.3 2,-0.4 -0.873 23.7-104.4-151.4 176.4 19.9 28.4 45.2 89 91 A T - 0 0 12 44,-0.7 2,-1.0 -2,-0.3 46,-0.3 -0.877 21.5-127.4-111.9 146.3 19.1 26.6 48.4 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.806 42.7 153.6 -89.0 103.6 15.8 25.8 50.0 91 93 A L + 0 0 16 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.159 65.2 55.6-118.2 36.3 16.2 27.1 53.6 92 94 A F S S+ 0 0 36 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.662 86.8 61.5-136.9 -30.3 12.5 27.7 54.2 93 95 A T S S+ 0 0 94 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.926 82.0 79.4 -76.2 -56.1 10.1 24.7 53.6 94 96 A H S > S- 0 0 68 -4,-0.2 3,-2.5 1,-0.1 4,-0.0 -0.365 83.8-121.3 -59.6 138.5 11.2 22.1 56.2 95 97 A P G > S+ 0 0 91 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.741 106.8 71.9 -49.7 -29.1 9.9 22.6 59.7 96 98 A V G 3 S+ 0 0 55 1,-0.3 3,-0.4 2,-0.1 13,-0.0 0.754 95.0 56.1 -60.7 -26.5 13.5 22.7 61.1 97 99 A F G X + 0 0 0 -3,-2.5 3,-2.1 1,-0.2 -1,-0.3 0.186 69.7 118.7 -91.3 20.2 13.8 26.2 59.5 98 100 A K T < S+ 0 0 160 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.701 85.3 33.1 -59.8 -32.2 10.8 27.6 61.3 99 101 A D T 3 S- 0 0 37 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.161 130.4 -79.3-107.2 16.7 12.9 30.3 63.0 100 102 A G < - 0 0 0 -3,-2.1 -1,-0.5 39,-0.1 39,-0.1 -0.599 28.4-115.0 117.9 174.0 15.4 30.8 60.1 101 103 A G S > S+ 0 0 0 -2,-0.2 3,-1.0 -3,-0.1 12,-0.2 0.628 107.1 22.6-109.2 -80.4 18.5 29.1 58.6 102 104 A F T 3 S+ 0 0 15 1,-0.2 57,-0.1 11,-0.1 56,-0.1 0.718 137.7 34.4 -62.9 -28.7 21.5 31.4 59.0 103 105 A T T 3 S+ 0 0 4 53,-0.1 -1,-0.2 6,-0.0 37,-0.1 0.030 79.0 139.2-120.1 27.7 19.9 33.3 61.9 104 106 A A < - 0 0 4 -3,-1.0 6,-0.1 1,-0.1 -4,-0.1 -0.441 58.8-126.9 -63.5 146.7 17.9 30.6 63.7 105 107 A N S S+ 0 0 95 -6,-0.1 2,-0.5 41,-0.1 -1,-0.1 0.847 93.2 81.6 -63.4 -39.0 18.2 31.0 67.5 106 108 A D S > S- 0 0 101 1,-0.1 4,-1.4 2,-0.0 3,-0.4 -0.617 73.1-151.9 -70.9 122.0 19.3 27.4 67.8 107 109 A R H > S+ 0 0 152 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.862 93.3 58.9 -60.3 -39.5 23.0 27.1 67.0 108 110 A D H > S+ 0 0 115 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 104.7 51.0 -59.9 -38.5 22.7 23.5 65.7 109 111 A V H > S+ 0 0 16 -3,-0.4 4,-2.9 2,-0.2 -1,-0.3 0.870 107.2 53.8 -60.4 -49.6 20.2 24.7 63.1 110 112 A R H X S+ 0 0 51 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.901 109.5 47.2 -54.6 -45.0 22.6 27.4 62.0 111 113 A R H X S+ 0 0 148 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.7 51.2 -65.1 -42.4 25.4 24.8 61.4 112 114 A Y H X S+ 0 0 93 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.910 106.8 54.4 -55.1 -49.6 23.0 22.5 59.5 113 115 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 -12,-0.2 -1,-0.2 0.907 108.1 48.9 -54.9 -46.9 21.9 25.4 57.3 114 116 A L H X S+ 0 0 27 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.930 111.3 49.6 -62.6 -43.0 25.5 26.1 56.3 115 117 A R H X S+ 0 0 185 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.894 109.7 50.7 -62.7 -43.2 26.2 22.4 55.5 116 118 A K H X S+ 0 0 20 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.871 112.3 48.2 -60.7 -42.3 23.1 22.1 53.3 117 119 A T H X S+ 0 0 2 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.913 108.3 53.1 -60.6 -50.9 24.1 25.3 51.4 118 120 A I H X S+ 0 0 38 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.891 105.3 54.4 -55.3 -44.7 27.7 24.1 50.8 119 121 A R H X S+ 0 0 114 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.893 109.8 48.0 -57.8 -38.3 26.5 20.8 49.3 120 122 A N H X S+ 0 0 2 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.777 103.1 60.1 -75.3 -30.4 24.4 22.7 46.8 121 123 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.925 103.7 53.2 -60.5 -44.3 27.2 25.1 45.8 122 124 A D H X S+ 0 0 55 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.921 111.4 44.8 -55.2 -48.3 29.2 22.0 44.7 123 125 A L H X S+ 0 0 4 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.901 109.8 55.5 -59.9 -47.2 26.3 20.9 42.5 124 126 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.4 0.913 108.2 47.8 -50.8 -52.7 25.7 24.3 41.1 125 127 A V H ><5S+ 0 0 46 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.875 108.7 54.5 -57.8 -42.9 29.3 24.6 39.9 126 128 A E H 3<5S+ 0 0 117 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.889 109.0 48.4 -61.7 -35.7 29.2 21.1 38.3 127 129 A L T 3<5S- 0 0 14 -4,-2.2 -43,-0.4 -3,-0.1 -1,-0.3 0.526 121.5-111.0 -82.2 -4.8 26.1 22.2 36.3 128 130 A G T < 5 + 0 0 55 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.654 54.9 166.7 82.2 26.5 27.9 25.4 35.3 129 131 A A < - 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0 0 103 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.132 22.6-138.7 -58.5 143.9 29.2 67.7 36.9 340 342 A T S S+ 0 0 145 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.853 93.4 4.9 -69.8 -44.2 27.9 70.3 39.3 341 343 A A > + 0 0 34 1,-0.1 3,-1.5 2,-0.0 -1,-0.2 -0.453 63.6 153.0-148.3 67.4 31.4 71.8 40.1 342 344 A A T 3 S+ 0 0 90 -3,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.771 76.8 71.0 -67.0 -18.8 34.2 70.2 38.1 343 345 A D T 3 S- 0 0 96 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.665 109.5-122.4 -68.6 -22.0 35.8 73.6 38.7 344 346 A G <> - 0 0 30 -3,-1.5 4,-2.3 1,-0.1 -1,-0.2 -0.163 26.1 -65.5 98.6 171.6 36.3 72.6 42.4 345 347 A L H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 128.0 50.4 -61.8 -49.4 35.3 73.8 45.8 346 348 A Q H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 111.5 48.7 -56.2 -48.8 37.4 77.0 45.8 347 349 A A H > S+ 0 0 38 -4,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.924 112.0 49.0 -55.8 -47.0 36.0 78.0 42.4 348 350 A L H < S+ 0 0 75 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.909 110.1 51.4 -60.0 -43.9 32.4 77.4 43.6 349 351 A L H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.4 44.9 -62.6 -33.4 33.0 79.4 46.7 350 352 A D H < S+ 0 0 116 -4,-2.0 2,-1.1 -5,-0.1 -1,-0.2 0.565 87.7 105.5 -88.7 -11.6 34.3 82.4 44.7 351 353 A D >< - 0 0 58 -4,-1.1 3,-1.8 -3,-0.4 4,-0.2 -0.581 46.6-173.1 -78.3 103.7 31.6 82.2 42.1 352 354 A R G > >S+ 0 0 128 -2,-1.1 5,-3.5 1,-0.3 3,-1.3 0.737 82.8 66.4 -64.5 -26.3 29.1 85.1 42.6 353 355 A S G 3 5S+ 0 0 72 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.653 95.1 60.6 -71.3 -13.5 26.8 83.7 39.9 354 356 A A G < 5S- 0 0 45 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.472 132.4 -20.9 -89.3 -6.1 26.2 80.7 42.2 355 357 A F T X 5S+ 0 0 177 -3,-1.3 3,-1.0 -4,-0.2 5,-0.1 0.257 127.8 53.0-160.3 -71.0 24.7 82.8 45.1 356 358 A E T 3 5S+ 0 0 104 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.918 128.6 23.1 -54.5 -44.6 25.3 86.5 45.6 357 359 A E T 3 + 0 0 99 -2,-0.4 4,-1.9 1,-0.2 3,-0.2 -0.715 25.3 178.8 -89.4 94.3 18.5 85.2 40.1 360 362 A V H > S+ 0 0 93 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.792 75.8 54.4 -63.4 -37.9 16.3 82.8 42.1 361 363 A D H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 108.3 47.3 -65.4 -42.3 13.0 84.1 40.6 362 364 A A H > S+ 0 0 52 2,-0.2 4,-0.5 -3,-0.2 3,-0.3 0.928 114.2 48.3 -68.2 -43.3 14.0 83.6 37.0 363 365 A A H >< S+ 0 0 20 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.922 110.1 52.6 -61.5 -45.8 15.3 80.0 37.8 364 366 A A H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.9 58.0 -58.7 -34.9 12.1 79.2 39.7 365 367 A A H 3< S+ 0 0 85 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.625 79.1 105.8 -75.3 -10.9 9.8 80.3 36.8 366 368 A R << - 0 0 153 -3,-1.4 2,-0.1 -4,-0.5 -3,-0.0 -0.601 68.9-136.6 -75.1 119.6 11.4 77.8 34.3 367 369 A G - 0 0 57 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.1 -0.427 2.7-141.2 -73.3 154.2 9.0 74.9 33.7 368 370 A M - 0 0 79 -2,-0.1 -1,-0.1 -36,-0.0 -2,-0.0 0.622 21.9-142.5 -90.4 -11.0 10.5 71.4 33.6 369 371 A A > + 0 0 50 1,-0.1 4,-1.6 3,-0.1 -38,-0.1 0.715 52.1 142.3 55.2 31.1 8.2 70.3 30.7 370 372 A F H > + 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.808 61.2 59.0 -67.0 -34.8 8.0 66.8 32.4 371 373 A E H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 105.5 47.7 -67.0 -38.3 4.3 66.3 31.5 372 374 A R H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.949 113.0 49.9 -66.0 -42.2 4.9 66.6 27.7 373 375 A L H X S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.906 110.6 49.5 -58.0 -50.8 7.8 64.2 28.1 374 376 A D H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.830 108.4 52.7 -61.2 -34.0 5.6 61.7 30.0 375 377 A Q H X S+ 0 0 99 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.882 106.4 53.2 -69.4 -36.6 2.8 61.8 27.4 376 378 A L H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 110.4 48.8 -59.3 -42.1 5.4 61.0 24.6 377 379 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.872 111.9 47.9 -64.7 -42.3 6.4 58.0 26.8 378 380 A M H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 111.3 50.9 -61.1 -50.7 2.6 57.0 27.2 379 381 A D H X>S+ 0 0 43 -4,-3.0 5,-2.9 1,-0.2 4,-0.7 0.908 112.5 46.7 -56.4 -45.6 2.1 57.4 23.4 380 382 A H H ><5S+ 0 0 19 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.881 111.1 50.6 -61.9 -47.5 5.1 55.2 22.6 381 383 A L H 3<5S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.6 43.1 -58.6 -41.6 4.1 52.5 25.1 382 384 A L H 3<5S- 0 0 118 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.495 109.8-121.4 -82.4 -7.0 0.5 52.4 23.7 383 385 A G T <<5S+ 0 0 54 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.855 72.8 131.7 65.3 41.3 1.8 52.5 20.0 384 386 A A < 0 0 64 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 -0.009 360.0 360.0-113.4 26.4 -0.3 55.6 19.5 385 387 A R 0 0 130 -6,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.952 360.0 360.0 -80.3 360.0 2.4 57.8 17.8