==== 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 05-APR-06 2GLK . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR A.K.KATZ,H.L.CARRELL,B.L.HANSON,J.M.HARP,J.P.GLUSKER,G.J.BUN . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.5 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.1 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 2 0 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 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 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 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.8 41.8 40.3 87.4 2 2 A N - 0 0 105 0, 0.0 310,-0.1 0, 0.0 306,-0.0 -0.977 360.0-168.0-133.1 7.3 40.9 38.0 86.3 3 3 A Y + 0 0 21 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.832 31.5 168.6 57.1 44.4 39.0 38.2 83.0 4 4 A Q - 0 0 135 307,-0.1 -1,-0.2 1,-0.0 2,-0.1 -0.754 26.3-137.3 -93.2 120.9 37.8 34.7 83.2 5 5 A P - 0 0 16 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.421 21.0-177.0 -76.5 151.6 35.0 33.8 80.7 6 6 A T > - 0 0 69 -2,-0.1 3,-2.5 1,-0.0 5,-0.4 -0.911 45.3 -95.9-135.4 166.0 32.0 31.7 81.5 7 7 A P G > S+ 0 0 68 0, 0.0 3,-2.0 0, 0.0 42,-0.1 0.799 118.2 70.7 -55.5 -28.7 29.2 30.5 79.3 8 8 A E G 3 S+ 0 0 167 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.740 86.1 68.0 -58.9 -23.2 27.1 33.5 80.3 9 9 A D G < S- 0 0 41 -3,-2.5 -1,-0.3 38,-0.3 275,-0.2 0.576 101.6-134.5 -74.0 -10.7 29.4 35.6 78.2 10 10 A R < + 0 0 94 -3,-2.0 274,-2.6 -4,-0.3 2,-0.4 0.803 41.0 165.7 64.9 35.1 28.1 34.0 75.0 11 11 A F E -a 284 0A 1 -5,-0.4 38,-3.1 36,-0.3 39,-1.4 -0.669 11.1-177.5 -83.1 130.1 31.5 33.4 73.4 12 12 A T E -ab 285 50A 0 272,-2.1 274,-2.8 -2,-0.4 2,-0.3 -0.891 11.1-161.5-128.1 160.6 31.3 30.9 70.5 13 13 A F E -ab 286 51A 0 37,-1.4 39,-1.8 -2,-0.3 2,-0.2 -0.999 22.2-117.1-141.0 142.7 33.9 29.4 68.1 14 14 A G E >> - b 0 52A 0 272,-1.3 3,-1.9 -2,-0.3 4,-0.8 -0.475 22.9-128.2 -73.2 147.0 33.8 27.7 64.7 15 15 A L H 3> S+ 0 0 12 37,-2.6 4,-1.2 1,-0.3 -1,-0.1 0.867 111.7 58.7 -57.7 -33.1 34.9 24.1 64.6 16 16 A W H 34 S+ 0 0 38 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.444 97.3 63.6 -76.8 -3.6 37.2 25.2 61.8 17 17 A T H X4 S+ 0 0 0 -3,-1.9 3,-2.0 2,-0.2 -2,-0.1 0.933 115.5 22.7 -84.1 -76.7 39.0 27.7 64.0 18 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.747 125.0 59.4 -60.6 -23.9 40.7 25.7 66.7 19 19 A G T 3< S+ 0 0 21 -4,-1.2 15,-0.3 -5,-0.4 -1,-0.3 0.449 72.7 125.7 -86.2 3.3 40.5 22.8 64.2 20 20 A W < - 0 0 55 -3,-2.0 -3,-0.1 1,-0.2 -4,-0.0 -0.426 50.5-154.9 -65.8 125.5 42.5 24.5 61.5 21 21 A Q - 0 0 46 -2,-0.3 9,-2.2 9,-0.1 10,-2.0 0.527 41.1-107.1 -82.8 -5.8 45.4 22.2 60.6 22 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.528 62.8 152.2 96.3 8.7 47.7 25.0 59.4 23 23 A R + 0 0 145 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.575 18.2 166.3 -72.5 133.4 47.6 24.5 55.6 24 24 A D B > -F 27 0B 66 3,-1.5 3,-1.4 -2,-0.3 5,-0.0 -0.665 54.8 -72.4-138.5-174.8 48.3 27.9 53.8 25 25 A P T 3 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.699 132.7 21.1 -66.6 -9.7 49.2 29.1 50.3 26 26 A F T 3 S+ 0 0 188 2,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.056 115.2 69.4-133.0 23.8 52.7 27.8 50.7 27 27 A G B < -F 24 0B 18 -3,-1.4 -3,-1.5 0, 0.0 3,-0.1 -0.994 61.1-129.9-155.5 141.8 52.6 25.3 53.4 28 28 A D - 0 0 137 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.256 56.4 -65.1 -82.6 171.2 51.4 21.8 54.5 29 29 A A - 0 0 36 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.297 37.0-172.1 -59.9 141.4 49.6 21.0 57.7 30 30 A T S S+ 0 0 61 -9,-2.2 2,-0.3 1,-0.1 -8,-0.2 0.488 70.3 46.6-107.8 -7.7 51.4 21.6 61.0 31 31 A R S S- 0 0 14 -10,-2.0 -1,-0.1 264,-0.1 -8,-0.1 -0.976 83.1-112.6-134.1 148.5 48.7 20.0 63.3 32 32 A R - 0 0 155 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.302 49.3 -84.5 -68.2 160.0 46.7 16.8 63.2 33 33 A A - 0 0 56 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.386 41.8-133.4 -64.5 146.1 43.0 16.9 62.6 34 34 A L - 0 0 23 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.845 12.3-125.5-101.2 135.5 40.8 17.5 65.7 35 35 A D >> - 0 0 64 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.626 22.3-128.8 -69.9 130.2 37.7 15.4 66.4 36 36 A P H 3> S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.830 109.1 60.8 -49.1 -35.2 34.8 17.8 66.8 37 37 A V H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.912 105.0 47.0 -59.7 -43.7 34.0 16.1 70.1 38 38 A E H <> S+ 0 0 63 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.913 110.7 51.9 -64.6 -42.1 37.4 17.0 71.5 39 39 A S H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.924 108.9 50.3 -59.8 -44.4 37.0 20.6 70.3 40 40 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.933 113.3 46.3 -58.6 -47.5 33.7 20.9 72.1 41 41 A R H X S+ 0 0 123 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.918 114.9 45.5 -61.9 -45.3 35.2 19.5 75.3 42 42 A R H X S+ 0 0 85 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.915 113.3 48.7 -69.2 -40.7 38.2 21.7 75.2 43 43 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.2 4,-0.5 0.907 109.7 53.0 -64.4 -40.6 36.3 24.9 74.4 44 44 A A H ><5S+ 0 0 27 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.917 105.1 54.8 -59.9 -41.5 33.8 24.2 77.2 45 45 A E H 3<5S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.2 54.0 -62.2 -31.1 36.7 23.9 79.6 46 46 A L T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.544 126.4-100.1 -76.3 -10.6 37.9 27.3 78.6 47 47 A G T < 5 + 0 0 8 -3,-1.6 -36,-0.3 -4,-0.5 -38,-0.3 0.579 66.9 156.5 99.6 12.8 34.5 28.8 79.3 48 48 A A < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.1 -36,-0.2 -0.315 37.4-147.6 -65.2 156.7 33.0 29.0 75.8 49 49 A H - 0 0 31 -38,-3.1 36,-2.1 1,-0.2 2,-0.3 0.713 66.0 -31.5 -92.5 -33.6 29.2 29.1 75.4 50 50 A G E -bc 12 85A 0 -39,-1.4 -37,-1.4 34,-0.3 2,-0.3 -0.979 50.7-114.6-172.3-177.3 29.0 27.2 72.1 51 51 A V E -b 13 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.897 15.1-152.0-134.7 160.2 30.4 26.2 68.7 52 52 A T E -b 14 0A 0 -39,-1.8 -37,-2.6 -2,-0.3 2,-0.3 -0.845 15.2-165.6-130.0 166.8 29.4 26.7 65.1 53 53 A F E -g 89 0C 0 35,-0.7 37,-2.1 -2,-0.3 2,-0.3 -0.999 24.9-132.4-153.6 148.2 30.0 24.6 62.0 54 54 A H E >> -g 90 0C 15 -2,-0.3 3,-1.9 35,-0.2 4,-1.1 -0.790 44.8-110.5 -83.2 150.3 30.1 24.3 58.2 55 55 A D H >> S+ 0 0 11 35,-1.6 4,-2.6 -2,-0.3 3,-1.0 0.897 119.2 50.7 -39.4 -53.1 28.3 21.1 57.1 56 56 A D H 34 S+ 0 0 42 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.575 101.4 61.5 -76.5 -9.2 31.6 19.6 55.9 57 57 A D H <4 S+ 0 0 49 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.764 116.1 31.6 -76.4 -31.7 33.3 20.3 59.3 58 58 A L H << S+ 0 0 4 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.807 129.8 32.1 -94.3 -40.3 30.9 18.1 61.1 59 59 A I S < S- 0 0 7 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.1 -0.978 90.5-119.0-124.5 111.9 30.1 15.5 58.4 60 60 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.240 42.4 -94.7 -50.6 137.7 33.0 14.6 55.9 61 61 A F T 3 S+ 0 0 94 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.261 111.8 24.5 -52.2 135.2 32.0 15.5 52.4 62 62 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.548 86.1 157.1 85.2 10.1 30.6 12.4 50.6 63 63 A S < - 0 0 22 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.0 -0.348 40.5-119.7 -67.8 147.4 29.5 10.6 53.8 64 64 A S > - 0 0 46 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.266 31.3-102.7 -71.6 166.9 26.8 7.9 53.8 65 65 A D H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 123.7 51.0 -59.8 -42.1 23.6 8.4 55.8 66 66 A S H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 112.1 46.6 -63.7 -42.2 24.8 5.9 58.4 67 67 A E H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 112.2 51.0 -61.7 -45.3 28.1 7.8 58.7 68 68 A R H X S+ 0 0 44 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.931 109.1 50.7 -57.4 -47.6 26.2 11.2 58.9 69 69 A E H X S+ 0 0 149 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.902 112.0 47.3 -59.3 -42.6 24.0 9.9 61.6 70 70 A E H X S+ 0 0 95 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.888 110.0 51.3 -69.6 -41.1 26.9 8.7 63.7 71 71 A H H X S+ 0 0 69 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.924 114.4 44.5 -58.5 -45.3 28.9 12.0 63.3 72 72 A V H X S+ 0 0 19 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.913 111.2 53.8 -67.5 -41.6 25.9 14.0 64.4 73 73 A K H X S+ 0 0 140 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.0 46.8 -57.9 -47.9 25.1 11.6 67.3 74 74 A R H X S+ 0 0 109 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.900 113.1 49.5 -61.6 -41.5 28.7 11.9 68.7 75 75 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.944 109.8 50.5 -63.0 -46.6 28.6 15.7 68.3 76 76 A R H X S+ 0 0 102 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.872 108.4 53.5 -59.8 -37.8 25.2 15.9 70.1 77 77 A Q H X S+ 0 0 105 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.906 109.0 48.5 -64.5 -40.3 26.6 13.8 73.0 78 78 A A H X S+ 0 0 2 -4,-1.9 4,-1.3 2,-0.2 6,-0.3 0.904 111.7 49.1 -65.1 -42.9 29.5 16.1 73.4 79 79 A L H X>S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 5,-0.7 0.937 114.3 46.2 -59.0 -46.4 27.2 19.2 73.4 80 80 A D H <5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.7 53.2 -63.4 -38.2 25.0 17.4 76.0 81 81 A D H <5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 122.3 28.9 -66.4 -29.2 28.0 16.4 78.1 82 82 A T H <5S- 0 0 47 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.584 100.2-120.0-109.2 -18.5 29.3 20.0 78.2 83 83 A G T <5 + 0 0 43 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.539 58.9 154.9 79.0 8.7 26.2 22.2 78.0 84 84 A M < - 0 0 8 -5,-0.7 -34,-0.3 -6,-0.3 -1,-0.3 -0.398 30.4-146.0 -69.5 146.1 27.6 23.8 74.8 85 85 A K B -c 50 0A 114 -36,-2.1 -34,-2.4 -3,-0.1 45,-0.1 -0.617 10.9-140.4-105.2 167.8 25.2 25.3 72.4 86 86 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.817 29.4 164.6-127.2 87.0 25.2 25.6 68.5 87 87 A P + 0 0 10 0, 0.0 45,-1.8 0, 0.0 46,-1.6 0.690 63.0 25.2 -81.0 -18.7 23.8 29.1 67.8 88 88 A M E - h 0 133C 1 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.996 57.3-179.5-147.1 146.7 24.9 29.3 64.1 89 89 A A E -gh 53 134C 0 44,-1.6 46,-2.4 -2,-0.3 2,-0.3 -0.931 6.4-175.4-141.1 168.9 25.7 27.0 61.2 90 90 A T E -gh 54 135C 4 -37,-2.1 -35,-1.6 -2,-0.3 2,-0.4 -0.930 24.3-107.5-156.7 170.0 26.8 27.5 57.6 91 91 A T - 0 0 9 44,-0.7 2,-1.1 -2,-0.3 46,-0.4 -0.880 22.5-128.2-108.0 141.6 27.5 25.7 54.4 92 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.781 42.4 155.1 -87.7 102.3 30.9 25.0 52.8 93 93 A L + 0 0 17 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.146 65.9 54.2-113.0 35.0 30.4 26.3 49.3 94 94 A F S S+ 0 0 34 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.634 88.9 61.3-140.3 -27.0 34.1 27.0 48.7 95 95 A T S S+ 0 0 96 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.918 82.7 78.9 -79.7 -46.8 36.4 24.1 49.3 96 96 A H S > S- 0 0 68 -4,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.407 84.3-124.0 -66.0 139.9 35.4 21.4 46.8 97 97 A P G > S+ 0 0 92 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.733 106.4 74.2 -56.5 -22.9 36.7 22.1 43.3 98 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.816 95.0 53.0 -59.1 -26.9 33.1 22.0 42.0 99 99 A F G X S+ 0 0 0 -3,-2.3 3,-2.1 1,-0.2 -1,-0.3 0.186 71.0 119.4 -92.4 19.1 32.7 25.5 43.6 100 100 A K T < S+ 0 0 146 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.746 86.3 32.2 -61.2 -26.1 35.8 26.9 41.8 101 101 A D T 3 S- 0 0 31 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.208 131.6 -74.3-109.3 14.3 33.6 29.6 40.1 102 102 A G < - 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0 0 0 -35,-2.3 29,-0.2 -2,-0.3 2,-0.1 -0.784 27.9-169.3-122.5 78.4 27.6 38.6 59.6 216 216 A P - 0 0 0 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.477 8.4-150.0 -72.7 149.4 30.5 41.1 59.4 217 217 A E B > -d 245 0A 0 -35,-0.3 4,-1.8 27,-0.2 3,-0.4 -0.971 14.9-133.0-121.0 133.8 34.0 40.0 60.2 218 218 A V H > S+ 0 0 9 27,-2.1 4,-1.9 -2,-0.4 5,-0.2 0.916 106.1 44.2 -46.2 -57.3 36.6 42.3 61.8 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.830 107.0 59.4 -66.9 -30.1 39.4 41.3 59.4 220 220 A H H 4 S+ 0 0 4 -3,-0.4 4,-0.4 2,-0.2 3,-0.3 0.946 108.6 42.6 -64.8 -48.2 37.2 41.4 56.2 221 221 A E H ><>S+ 0 0 6 -4,-1.8 5,-2.1 1,-0.2 3,-1.4 0.909 112.8 54.9 -64.9 -36.2 36.3 45.0 56.5 222 222 A Q H ><5S+ 0 0 11 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.775 94.6 68.1 -68.5 -23.1 39.9 45.8 57.5 223 223 A M T 3<5S+ 0 0 4 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.633 103.6 45.5 -66.6 -16.7 41.0 44.1 54.2 224 224 A A T < 5S- 0 0 44 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.238 121.8-112.2-102.9 9.2 39.4 47.0 52.4 225 225 A G T < 5 + 0 0 50 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.669 69.8 147.2 70.9 15.8 41.0 49.5 54.9 226 226 A L < - 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0 0 25 -3,-1.0 4,-2.6 -4,-0.9 3,-0.6 -0.576 64.6-145.8 -74.2 122.5 34.0 58.2 84.1 324 324 A P H 3> S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.824 100.8 56.5 -56.8 -31.4 32.5 61.6 84.9 325 325 A E H 3> S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.876 109.1 45.4 -67.8 -37.1 35.6 63.2 83.4 326 326 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.905 110.0 54.4 -67.6 -42.4 34.8 61.4 80.1 327 327 A Q H X S+ 0 0 74 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.915 110.4 47.2 -58.9 -40.5 31.1 62.4 80.3 328 328 A E H X S+ 0 0 126 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.4 50.4 -64.0 -43.5 32.2 66.0 80.7 329 329 A A H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.871 106.6 55.2 -64.7 -36.6 34.6 65.7 77.7 330 330 A L H <>S+ 0 0 27 -4,-2.7 5,-2.5 1,-0.2 6,-0.5 0.906 110.8 45.2 -62.2 -43.1 31.8 64.1 75.6 331 331 A R H ><5S+ 0 0 161 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.904 109.5 55.3 -65.2 -39.4 29.7 67.2 76.3 332 332 A A H 3<5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.839 110.1 46.7 -61.4 -32.2 32.7 69.5 75.6 333 333 A S T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.337 115.7-118.1 -90.8 3.6 32.9 67.8 72.2 334 334 A R T <>5 + 0 0 65 -3,-1.5 4,-2.0 -4,-0.1 -3,-0.2 0.720 65.8 143.7 66.7 29.9 29.2 68.1 71.5 335 335 A L H >4 S+ 0 0 62 -6,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.916 106.0 48.6 -61.8 -43.5 25.2 65.3 73.1 337 337 A E H >4 S+ 0 0 109 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.840 102.7 61.5 -69.4 -31.9 24.3 67.7 70.3 338 338 A L H 3< S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 102.4 53.6 -58.5 -34.1 25.1 65.1 67.6 339 339 A A T << S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.450 93.5 88.6 -82.1 -2.4 22.3 63.0 69.1 340 340 A R S < S- 0 0 126 -3,-1.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.780 90.1 -97.3 -95.3 142.7 19.7 65.9 68.9 341 341 A P - 0 0 105 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.213 22.5-139.1 -54.2 141.9 17.6 66.4 65.8 342 342 A T S S+ 0 0 144 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.859 92.6 5.4 -65.5 -41.2 18.8 69.0 63.4 343 343 A A > + 0 0 32 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 -0.335 61.9 152.6-151.2 61.7 15.4 70.4 62.6 344 344 A A T 3 S+ 0 0 95 -3,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.689 77.2 71.3 -62.7 -20.4 12.6 69.0 64.7 345 345 A D T 3 S- 0 0 96 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.637 110.9-120.6 -66.6 -18.0 10.9 72.4 64.0 346 346 A G <> - 0 0 28 -3,-2.2 4,-2.2 1,-0.1 -1,-0.2 -0.049 25.5 -67.0 95.1 165.4 10.5 71.3 60.4 347 347 A L H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 126.9 50.0 -59.1 -48.0 11.6 72.4 57.0 348 348 A Q H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 110.9 49.8 -63.8 -40.3 9.6 75.7 56.9 349 349 A A H > S+ 0 0 35 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.907 110.9 50.1 -61.7 -40.9 10.8 76.8 60.3 350 350 A L H >< S+ 0 0 69 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.930 110.3 50.0 -61.8 -44.2 14.4 76.0 59.2 351 351 A L H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 114.1 45.9 -62.7 -31.5 13.9 78.0 56.0 352 352 A D H 3< S+ 0 0 113 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.3 0.462 88.0 104.4 -90.0 -2.7 12.5 80.9 58.0 353 353 A D X< - 0 0 59 -3,-1.1 3,-2.0 -4,-0.6 4,-0.2 -0.682 48.7-170.9 -90.0 103.9 15.3 80.8 60.7 354 354 A R G > >S+ 0 0 126 -2,-1.0 5,-2.9 1,-0.3 3,-1.6 0.791 84.0 68.5 -62.8 -25.8 17.7 83.7 60.1 355 355 A S G 3 5S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.2 6,-0.1 0.646 96.1 56.8 -65.5 -15.1 20.0 82.1 62.8 356 356 A A G < 5S- 0 0 43 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.413 130.4 -8.2 -93.9 -2.5 20.6 79.3 60.3 357 357 A F T X 5S+ 0 0 166 -3,-1.6 3,-1.6 -4,-0.2 5,-0.1 0.116 129.3 36.2-153.5 -78.5 21.8 81.5 57.5 358 358 A E T 3 5S+ 0 0 118 1,-0.3 -3,-0.2 -5,-0.1 -4,-0.1 0.848 129.6 31.8 -62.0 -35.5 21.8 85.3 57.3 359 359 A E T 3 + 0 0 98 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 -0.626 25.2 178.9 -88.0 91.2 28.1 83.7 62.7 362 362 A V H > S+ 0 0 86 -2,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.874 76.4 52.4 -63.9 -38.9 30.2 81.3 60.7 363 363 A D H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 108.6 49.6 -68.5 -39.1 33.5 82.6 62.0 364 364 A A H > S+ 0 0 34 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.923 113.9 45.9 -63.1 -44.8 32.5 82.1 65.7 365 365 A A H >< S+ 0 0 30 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.941 112.0 51.7 -63.7 -43.9 31.3 78.6 65.0 366 366 A A H 3< S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.5 57.6 -62.1 -33.5 34.5 77.8 63.1 367 367 A A H 3< S+ 0 0 85 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.3 0.667 81.9 100.9 -71.8 -18.4 36.7 79.1 65.9 368 368 A R S << S- 0 0 144 -3,-1.3 -4,-0.0 -4,-0.7 -3,-0.0 -0.595 71.9-135.8 -75.1 115.0 35.2 76.6 68.4 369 369 A G - 0 0 57 -2,-0.7 -2,-0.1 1,-0.1 -1,-0.1 -0.302 3.7-137.6 -65.4 152.4 37.5 73.7 68.9 370 370 A M - 0 0 76 1,-0.0 -1,-0.1 -36,-0.0 -2,-0.0 0.640 22.2-142.3 -84.7 -17.1 36.0 70.2 69.0 371 371 A A > + 0 0 49 1,-0.1 4,-1.6 3,-0.1 -38,-0.1 0.740 53.5 140.3 61.4 27.2 38.2 69.0 71.9 372 372 A F H > + 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.808 61.1 58.0 -72.7 -29.9 38.5 65.6 70.3 373 373 A E H > S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 106.8 47.2 -69.0 -41.9 42.2 65.1 71.2 374 374 A R H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 113.5 49.7 -61.2 -43.3 41.5 65.4 74.9 375 375 A L H X S+ 0 0 20 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.933 111.8 48.1 -59.3 -46.1 38.6 63.0 74.6 376 376 A D H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.835 108.6 53.2 -68.6 -32.3 40.7 60.5 72.7 377 377 A Q H X S+ 0 0 97 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.862 106.9 52.3 -72.3 -32.5 43.6 60.7 75.2 378 378 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 110.2 50.0 -61.0 -40.1 41.1 59.9 78.0 379 379 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 111.7 47.4 -62.8 -44.2 40.0 56.9 75.8 380 380 A M H X S+ 0 0 49 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.932 110.7 51.6 -61.2 -46.1 43.7 55.9 75.4 381 381 A D H X>S+ 0 0 38 -4,-2.8 5,-2.9 1,-0.2 4,-0.6 0.904 111.7 47.3 -60.0 -41.4 44.3 56.3 79.2 382 382 A H H ><5S+ 0 0 19 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.925 111.5 50.1 -65.7 -44.6 41.3 54.1 79.9 383 383 A L H 3<5S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.0 40.9 -57.5 -44.6 42.3 51.4 77.4 384 384 A L H 3<5S- 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.459 109.2-119.5 -85.3 -2.4 45.8 51.2 78.8 385 385 A G T <<5S+ 0 0 57 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.941 73.3 132.3 62.7 42.3 44.8 51.5 82.5 386 386 A A < + 0 0 55 -5,-2.9 2,-0.2 -6,-0.2 -4,-0.1 -0.375 30.0 125.6-119.2 38.1 46.8 54.7 82.8 387 387 A R 0 0 82 -6,-0.2 -9,-0.0 -5,-0.1 -5,-0.0 -0.589 360.0 360.0 -92.1 167.5 44.2 56.9 84.6 388 388 A G 0 0 136 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.934 360.0 360.0 142.9 360.0 44.5 58.8 87.9