==== 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)07-MAR-94 1XIF . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR H.L.CARRELL,J.P.GLUSKER . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 69.6 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 . 147 37.9 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 2 1 0 1 1 1 1 0 2 0 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 0 202 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.3 42.8 41.9 89.1 2 2 A N - 0 0 124 2,-0.0 2,-0.3 310,-0.0 0, 0.0 -0.719 360.0-143.8-126.9 173.3 41.8 39.1 86.8 3 3 A Y + 0 0 26 -2,-0.2 308,-0.2 2,-0.0 309,-0.1 -0.759 24.0 177.4-144.1 68.6 39.4 38.7 84.0 4 4 A Q - 0 0 150 -2,-0.3 2,-0.2 307,-0.1 43,-0.1 -0.774 21.4-136.2 -94.3 123.4 37.9 35.3 84.0 5 5 A P - 0 0 15 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.492 19.1-171.8 -73.4 146.7 35.2 34.5 81.4 6 6 A T > - 0 0 57 -2,-0.2 3,-3.0 1,-0.0 5,-0.3 -0.948 42.8-101.3-125.0 162.1 32.0 32.6 82.2 7 7 A P G > S+ 0 0 64 0, 0.0 3,-1.8 0, 0.0 42,-0.1 0.750 118.2 70.5 -47.7 -28.2 29.4 31.3 79.8 8 8 A E G 3 S+ 0 0 154 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.709 84.8 67.0 -65.7 -23.1 27.3 34.4 80.7 9 9 A D G < S- 0 0 38 -3,-3.0 -1,-0.3 38,-0.2 275,-0.1 0.551 103.6-132.6 -72.3 -9.5 29.8 36.6 78.7 10 10 A R < + 0 0 63 -3,-1.8 274,-2.9 -4,-0.3 2,-0.4 0.786 40.4 169.7 66.8 33.8 28.5 34.8 75.6 11 11 A F E -a 284 0A 1 -5,-0.3 38,-3.1 36,-0.3 39,-1.2 -0.661 7.9-179.5 -79.6 127.3 32.0 34.0 74.1 12 12 A T E -ab 285 50A 0 272,-2.1 274,-2.6 -2,-0.4 2,-0.3 -0.865 12.4-160.4-129.5 158.4 31.8 31.6 71.1 13 13 A F E -ab 286 51A 0 37,-1.2 39,-1.7 -2,-0.3 2,-0.2 -0.995 21.2-120.0-138.3 139.6 34.4 30.1 68.8 14 14 A G E >> - b 0 52A 0 272,-1.3 3,-1.7 -2,-0.3 4,-0.7 -0.496 23.7-127.6 -73.0 146.7 34.2 28.5 65.3 15 15 A L H 3> S+ 0 0 13 37,-2.8 4,-1.2 1,-0.3 -1,-0.1 0.831 111.5 59.0 -52.3 -34.3 35.4 24.8 65.1 16 16 A W H 34 S+ 0 0 51 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.478 97.0 64.1 -75.9 -7.1 37.7 25.9 62.3 17 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-2.0 2,-0.2 -2,-0.2 0.960 115.2 22.2 -86.3 -76.4 39.4 28.4 64.6 18 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.720 125.0 61.2 -58.6 -23.0 41.1 26.3 67.3 19 19 A G T 3< S+ 0 0 21 -4,-1.2 2,-0.4 -5,-0.3 15,-0.3 0.396 71.7 124.5 -81.9 -0.9 40.9 23.5 64.7 20 20 A W < - 0 0 47 -3,-2.0 -3,-0.1 1,-0.2 -4,-0.0 -0.493 49.3-157.5 -65.7 121.6 43.0 25.3 62.1 21 21 A Q - 0 0 50 -2,-0.4 9,-2.1 9,-0.1 10,-1.7 0.505 40.6-109.7 -78.3 -6.6 45.9 22.9 61.3 22 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.575 61.3 153.7 90.6 15.8 48.1 25.7 60.0 23 23 A R + 0 0 139 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.608 18.3 174.0 -70.3 126.4 48.2 25.0 56.3 24 24 A D B > -F 27 0B 64 3,-1.6 3,-1.2 -2,-0.3 5,-0.0 -0.685 51.9 -86.1-127.7 176.3 48.8 28.4 54.5 25 25 A P T 3 S+ 0 0 117 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.722 129.2 35.7 -60.1 -19.4 49.4 29.2 50.8 26 26 A F T 3 S+ 0 0 193 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.276 115.8 41.1-117.0 12.8 53.1 28.4 51.4 27 27 A G B < -F 24 0B 19 -3,-1.2 -3,-1.6 -5,-0.0 3,-0.1 -0.999 69.0-106.9-162.4 155.1 53.3 25.6 53.9 28 28 A D - 0 0 130 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.254 56.4 -71.3 -75.3 166.3 52.0 22.3 55.2 29 29 A A - 0 0 37 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.281 35.8-168.7 -56.2 141.1 50.0 21.7 58.4 30 30 A T S S+ 0 0 65 -9,-2.1 2,-0.3 1,-0.1 -8,-0.2 0.469 70.3 49.3-106.2 -6.8 51.9 22.1 61.6 31 31 A R S S- 0 0 16 -10,-1.7 -1,-0.1 264,-0.1 -8,-0.1 -0.970 83.8-112.4-134.7 148.6 49.2 20.6 63.9 32 32 A R - 0 0 129 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.357 47.9 -86.5 -72.1 161.4 47.2 17.4 63.8 33 33 A A - 0 0 57 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.320 41.5-134.2 -68.0 142.0 43.4 17.6 63.2 34 34 A L - 0 0 21 -15,-0.3 -1,-0.1 -3,-0.1 -15,-0.0 -0.883 14.2-121.1 -96.2 136.1 41.3 18.1 66.3 35 35 A D >> - 0 0 53 -2,-0.4 4,-1.8 1,-0.1 3,-1.0 -0.640 21.3-130.0 -64.7 128.7 38.2 16.1 67.0 36 36 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.796 109.6 57.4 -46.9 -34.2 35.2 18.5 67.3 37 37 A V H 3> S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 105.6 50.1 -71.8 -32.6 34.3 16.8 70.6 38 38 A E H <> S+ 0 0 65 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.883 110.2 49.5 -66.2 -39.6 37.7 17.6 72.0 39 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.894 108.8 52.8 -66.4 -40.1 37.4 21.2 71.0 40 40 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 113.1 44.2 -57.4 -47.7 34.0 21.5 72.7 41 41 A Q H X S+ 0 0 82 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 115.1 47.3 -65.7 -45.1 35.4 20.1 75.9 42 42 A R H X S+ 0 0 65 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.910 113.0 48.1 -66.5 -40.3 38.5 22.3 75.9 43 43 A L H X>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.2 4,-0.5 0.900 108.6 55.2 -67.7 -37.0 36.6 25.5 75.1 44 44 A A H ><5S+ 0 0 30 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.912 105.6 52.4 -61.5 -44.2 34.1 24.7 77.8 45 45 A E H 3<5S+ 0 0 142 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.813 105.5 55.1 -62.0 -28.4 36.9 24.5 80.4 46 46 A L H 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.553 125.1 -99.5 -81.2 -8.7 38.2 27.9 79.3 47 47 A G T <<5 + 0 0 7 -3,-1.5 -36,-0.3 -4,-0.5 -38,-0.2 0.586 68.2 153.5 104.4 9.2 34.8 29.5 80.0 48 48 A A < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -36,-0.2 -0.369 38.9-146.9 -69.2 160.3 33.4 29.7 76.5 49 49 A H - 0 0 33 -38,-3.1 36,-2.0 1,-0.3 2,-0.3 0.753 66.2 -31.7 -93.9 -30.9 29.6 29.7 75.9 50 50 A G E -bc 12 85A 0 -39,-1.2 -37,-1.2 34,-0.3 2,-0.3 -0.973 51.6-115.0-175.5-179.4 29.4 27.9 72.6 51 51 A V E -b 13 0A 0 34,-2.1 37,-0.5 -2,-0.3 2,-0.3 -0.855 15.6-149.2-130.5 165.4 30.8 26.9 69.3 52 52 A T E -b 14 0A 0 -39,-1.7 -37,-2.8 -2,-0.3 2,-0.3 -0.864 16.5-166.0-132.1 166.4 29.9 27.4 65.6 53 53 A F E -g 89 0C 0 35,-0.7 37,-2.2 -2,-0.3 2,-0.4 -1.000 25.0-132.0-152.8 146.4 30.5 25.3 62.6 54 54 A H E >> -g 90 0C 15 -2,-0.3 3,-1.9 35,-0.2 4,-1.2 -0.804 43.7-112.0 -78.7 148.9 30.5 24.9 58.8 55 55 A D H >> S+ 0 0 13 35,-1.5 4,-2.5 -2,-0.4 3,-1.0 0.901 119.2 50.2 -40.2 -53.0 28.7 21.8 57.6 56 56 A D H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.575 100.6 62.6 -79.3 -8.0 32.0 20.3 56.5 57 57 A D H <4 S+ 0 0 49 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.777 116.1 30.9 -72.5 -32.8 33.8 21.0 59.8 58 58 A L H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.860 128.4 34.3 -94.2 -44.9 31.4 18.7 61.6 59 59 A I S < S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.2 3,-0.1 -0.959 90.6-118.1-119.5 108.9 30.6 16.1 58.9 60 60 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 -3,-0.1 -0.150 42.9 -92.7 -43.7 132.3 33.4 15.2 56.5 61 61 A F T 3 S+ 0 0 96 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.256 112.8 20.5 -51.5 133.4 32.5 16.1 52.9 62 62 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.338 85.6 157.9 82.3 0.3 30.9 13.1 51.2 63 63 A S < - 0 0 19 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.164 42.8-115.7 -45.7 137.7 29.9 11.3 54.3 64 64 A S > - 0 0 53 1,-0.1 4,-3.0 4,-0.0 3,-0.2 -0.408 30.6-103.2 -70.2 161.5 27.1 8.8 54.0 65 65 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.796 124.2 53.3 -60.8 -23.6 23.8 9.5 55.9 66 66 A S H > S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 110.6 43.6 -78.6 -41.5 24.9 6.8 58.5 67 67 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 111.7 56.9 -65.8 -41.6 28.3 8.5 59.1 68 68 A R H X S+ 0 0 47 -4,-3.0 4,-2.3 1,-0.2 3,-0.3 0.936 106.3 48.1 -51.2 -52.8 26.4 11.9 59.2 69 69 A E H X S+ 0 0 145 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.845 111.8 50.6 -64.0 -35.3 24.1 10.7 62.0 70 70 A E H X S+ 0 0 106 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.873 108.5 50.5 -64.0 -46.7 27.1 9.4 64.0 71 71 A H H X S+ 0 0 55 -4,-2.2 4,-1.7 -3,-0.3 -2,-0.2 0.877 113.7 46.4 -59.8 -43.1 29.1 12.6 63.7 72 72 A V H X S+ 0 0 12 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.945 110.2 52.6 -70.5 -46.7 26.0 14.6 64.9 73 73 A K H X S+ 0 0 131 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.909 110.5 46.7 -56.6 -47.2 25.3 12.2 67.8 74 74 A R H X S+ 0 0 100 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.899 114.0 49.4 -59.4 -38.1 28.8 12.4 69.2 75 75 A F H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.954 110.1 49.8 -65.1 -51.0 28.7 16.2 68.8 76 76 A R H X S+ 0 0 93 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.860 107.3 54.9 -56.5 -41.4 25.4 16.5 70.6 77 77 A Q H X S+ 0 0 102 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 107.2 50.9 -59.6 -42.8 26.6 14.3 73.4 78 78 A A H X S+ 0 0 3 -4,-1.9 4,-1.2 1,-0.2 6,-0.3 0.888 109.9 49.4 -65.0 -36.6 29.6 16.7 73.9 79 79 A L H X>S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 5,-0.7 0.918 112.2 48.7 -63.3 -41.8 27.2 19.7 74.0 80 80 A D H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 110.9 50.8 -64.6 -36.6 25.1 17.9 76.6 81 81 A D H <5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.748 122.6 29.8 -73.2 -25.1 28.1 17.0 78.7 82 82 A T H <5S- 0 0 45 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.608 97.1-122.0-112.9 -15.5 29.4 20.5 78.8 83 83 A G T <5 + 0 0 44 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.600 58.5 154.1 75.3 10.4 26.4 22.8 78.5 84 84 A M < - 0 0 7 -5,-0.7 -34,-0.3 -6,-0.3 -1,-0.2 -0.490 30.2-147.1 -73.2 144.1 27.9 24.4 75.4 85 85 A K B -c 50 0A 114 -36,-2.0 -34,-2.1 -2,-0.1 45,-0.1 -0.677 11.7-140.0-106.0 170.1 25.5 26.0 72.9 86 86 A V + 0 0 6 43,-0.5 -34,-0.1 -36,-0.2 -36,-0.1 -0.838 29.6 163.6-126.3 89.9 25.5 26.4 69.1 87 87 A P + 0 0 7 0, 0.0 45,-2.0 0, 0.0 46,-1.4 0.640 63.0 29.1 -84.0 -16.4 24.2 29.9 68.3 88 88 A M E + h 0 133C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.991 58.1 179.3-145.0 142.9 25.4 30.1 64.7 89 89 A A E +gh 53 134C 0 44,-1.7 46,-2.5 -2,-0.3 2,-0.3 -0.923 5.4 179.9-140.4 168.1 26.1 27.8 61.8 90 90 A T E -gh 54 135C 5 -37,-2.2 -35,-1.5 -2,-0.3 2,-0.4 -0.909 25.1-105.4-155.8 176.5 27.2 28.3 58.2 91 91 A T - 0 0 12 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.888 20.5-128.5-113.9 141.9 28.0 26.4 55.0 92 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 -38,-0.0 -0.813 43.3 153.0 -84.8 102.4 31.4 25.6 53.4 93 93 A L + 0 0 17 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.236 65.2 56.7-113.4 40.5 30.9 26.9 49.8 94 94 A F S S+ 0 0 39 45,-0.1 8,-0.1 46,-0.1 -1,-0.1 0.618 88.1 60.3-140.6 -30.2 34.6 27.6 49.3 95 95 A T S S+ 0 0 93 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.920 82.0 79.5 -79.3 -49.8 37.0 24.6 49.8 96 96 A H S > S- 0 0 68 -4,-0.2 3,-2.1 1,-0.1 4,-0.0 -0.395 84.4-122.3 -61.8 139.8 35.9 21.9 47.3 97 97 A P G > S+ 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.1 0.740 107.4 72.6 -52.3 -27.7 37.1 22.5 43.7 98 98 A V G 3 S+ 0 0 50 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.812 95.7 54.5 -59.0 -27.8 33.5 22.6 42.4 99 99 A F G X S+ 0 0 0 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.211 70.1 117.3 -90.5 17.9 33.3 26.0 44.1 100 100 A K T < S+ 0 0 152 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.745 85.9 34.1 -64.5 -23.2 36.4 27.5 42.3 101 101 A D T 3 S- 0 0 35 1,-0.5 41,-0.3 -3,-0.5 -1,-0.3 0.151 130.3 -77.6-110.9 14.2 34.2 30.2 40.6 102 102 A G < - 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0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -43,-0.2 -0.446 22.2-169.2 -70.1 142.8 21.3 28.0 66.1 132 132 A E S S+ 0 0 113 -45,-2.0 45,-1.8 1,-0.2 2,-0.4 0.561 70.3 48.3 -98.5 -18.5 19.6 31.3 65.8 133 133 A T E -hi 88 177C 8 -46,-1.4 -44,-1.7 43,-0.2 2,-0.5 -0.989 61.4-159.7-127.3 136.2 21.8 32.8 63.1 134 134 A Y E -hi 89 178C 3 43,-2.8 45,-2.3 -2,-0.4 2,-0.3 -0.976 19.0-150.4-116.8 115.7 22.9 31.3 59.8 135 135 A V E -hi 90 179C 2 -46,-2.5 -44,-0.6 -2,-0.5 2,-0.5 -0.669 8.2-162.9 -90.6 143.0 26.0 33.0 58.3 136 136 A A E + i 0 180C 18 43,-2.6 45,-3.1 -2,-0.3 2,-0.5 -0.990 9.4 177.4-120.2 118.0 26.8 33.3 54.6 137 137 A W - 0 0 50 -2,-0.5 2,-1.7 -46,-0.3 -44,-0.3 -0.962 13.4-162.0-113.7 108.9 30.4 34.2 53.6 138 138 A G > + 0 0 26 -2,-0.5 3,-1.2 43,-0.5 54,-0.3 -0.524 27.6 157.3 -92.8 72.7 30.7 34.2 49.8 139 139 A G T 3 S+ 0 0 1 -2,-1.7 49,-0.7 1,-0.3 -1,-0.2 0.702 75.0 44.7 -69.6 -21.8 34.5 33.9 49.8 140 140 A R T 3 S+ 0 0 70 -47,-0.3 2,-0.9 -3,-0.2 -1,-0.3 0.430 86.3 104.6 -98.4 2.1 34.5 32.4 46.2 141 141 A E < + 0 0 4 -3,-1.2 51,-2.6 51,-0.1 2,-0.3 -0.638 69.8 48.1 -86.5 104.8 31.9 35.0 44.8 142 142 A G E S-L 191 0D 2 -2,-0.9 2,-0.3 -41,-0.3 49,-0.2 -0.989 74.2-100.3 163.2-150.3 34.1 37.4 42.7 143 143 A A E -L 190 0D 15 47,-2.0 47,-1.4 -2,-0.3 3,-0.1 -0.993 9.6-146.6-163.0 156.8 36.7 37.5 40.0 144 144 A E S S+ 0 0 123 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.554 92.9 37.1-101.3 -14.5 40.4 37.9 39.1 145 145 A S S > S- 0 0 77 1,-0.1 3,-0.6 45,-0.1 4,-0.3 -0.945 80.8-118.9-139.6 159.4 39.6 39.6 35.8 146 146 A G G > S+ 0 0 75 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.808 106.5 47.2 -73.7 -32.5 37.0 42.0 34.4 147 147 A G G 3 S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.641 94.8 76.0 -83.8 -11.2 35.4 39.9 31.7 148 148 A A G < S+ 0 0 38 -3,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.684 100.8 34.8 -71.9 -23.4 34.9 36.7 33.9 149 149 A K < - 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0 0 55 -5,-2.3 2,-1.0 -6,-0.2 -1,-0.2 -0.503 39.6-138.2 -74.9 145.2 12.0 28.2 61.2 175 175 A D + 0 0 160 -2,-0.2 2,-0.4 -44,-0.1 -1,-0.1 -0.758 62.3 117.0 -95.3 77.5 13.2 30.8 63.6 176 176 A I - 0 0 5 -2,-1.0 2,-0.3 -42,-0.0 -43,-0.2 -0.977 46.1-156.3-147.0 143.1 16.5 31.5 62.1 177 177 A R E -i 133 0C 109 -45,-1.8 -43,-2.8 -2,-0.4 2,-0.3 -0.845 17.5-122.1-120.2 159.8 17.9 34.7 60.5 178 178 A F E -ij 134 212C 2 33,-3.1 35,-2.4 -2,-0.3 2,-0.4 -0.769 18.2-166.9-101.4 148.5 20.6 35.1 57.9 179 179 A A E -ij 135 213C 0 -45,-2.3 -43,-2.6 -2,-0.3 2,-0.5 -0.988 11.7-147.2-133.1 124.3 23.8 37.2 58.3 180 180 A I E -ij 136 214C 6 33,-2.7 35,-2.2 -2,-0.4 -43,-0.2 -0.791 10.1-150.8 -90.0 133.7 26.0 38.1 55.3 181 181 A E - 0 0 18 -45,-3.1 -43,-0.5 -2,-0.5 2,-0.2 -0.921 12.2-149.5-106.8 114.8 29.7 38.3 56.1 182 182 A P + 0 0 2 0, 0.0 35,-0.3 0, 0.0 38,-0.1 -0.443 21.1 169.6 -78.5 153.4 31.6 40.8 53.9 183 183 A K - 0 0 7 10,-0.6 12,-0.1 9,-0.3 8,-0.1 -0.917 26.5-144.8-155.0 142.7 35.3 40.4 52.9 184 184 A P S S- 0 0 12 0, 0.0 7,-2.2 0, 0.0 2,-0.3 0.807 72.2 -17.3 -87.0 -29.2 36.9 42.6 50.2 185 185 A N S S+ 0 0 59 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.935 73.9 109.5-161.2 167.5 39.3 40.2 48.6 186 186 A E S S+ 0 0 61 2,-3.0 -1,-0.2 -2,-0.3 3,-0.1 0.889 87.0 22.7 79.5 108.1 41.1 36.8 49.2 187 187 A P S S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.963 128.7 46.7 -91.0 -12.5 40.8 34.2 48.0 188 188 A R S S- 0 0 16 -49,-0.7 -2,-3.0 1,-0.1 3,-0.2 -0.575 89.4-117.3 -82.0 155.0 39.2 35.9 44.9 189 189 A G S S+ 0 0 38 1,-0.3 2,-0.3 -2,-0.2 -45,-0.2 0.891 104.7 6.0 -58.9 -40.5 41.0 38.9 43.5 190 190 A D E S-L 143 0D 117 -47,-1.4 -47,-2.0 -5,-0.1 2,-0.4 -0.971 78.9-147.1-140.8 137.8 37.9 41.0 44.3 191 191 A I E -L 142 0D 10 -7,-2.2 -49,-0.3 -2,-0.3 2,-0.1 -0.816 24.1-112.0-103.9 139.6 34.9 39.6 46.3 192 192 A L S S+ 0 0 25 -51,-2.6 -9,-0.3 -2,-0.4 -54,-0.2 -0.466 101.7 22.2 -67.6 153.0 31.3 40.7 45.7 193 193 A L S S- 0 0 20 -2,-0.1 -10,-0.6 -11,-0.1 -1,-0.2 0.980 81.5-179.2 50.4 64.4 29.7 42.7 48.5 194 194 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.594 51.3 28.6 -75.4 -17.9 33.2 43.6 49.8 195 195 A T S > S- 0 0 19 -12,-0.1 4,-2.1 -11,-0.1 5,-0.2 -0.925 86.7 -98.3-134.5 169.6 32.3 45.7 52.9 196 196 A V H > S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.836 122.3 54.4 -51.7 -42.7 29.6 46.1 55.5 197 197 A G H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 107.4 48.4 -63.4 -46.7 28.1 49.0 53.5 198 198 A H H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 113.6 47.8 -59.2 -41.0 27.8 46.9 50.3 199 199 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.904 110.9 50.7 -65.8 -43.3 26.1 44.1 52.2 200 200 A L H X S+ 0 0 15 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.874 111.8 48.6 -60.1 -39.7 23.7 46.5 53.9 201 201 A A H < S+ 0 0 66 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.910 110.3 50.6 -68.1 -42.8 22.7 48.0 50.6 202 202 A F H >< S+ 0 0 20 -4,-2.0 3,-1.8 1,-0.2 4,-0.2 0.869 102.6 60.5 -62.2 -40.3 22.2 44.6 49.0 203 203 A I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.841 93.5 64.8 -56.0 -37.0 19.9 43.4 51.8 204 204 A E T 3< S+ 0 0 104 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.611 99.6 54.7 -65.9 -13.0 17.5 46.3 51.1 205 205 A R T < S+ 0 0 179 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.363 85.2 104.8 -98.0 0.0 16.8 44.7 47.6 206 206 A L S < S- 0 0 7 -3,-1.8 -46,-0.1 -4,-0.2 -47,-0.0 -0.454 81.8-115.6 -79.1 161.0 15.8 41.2 48.9 207 207 A E S S+ 0 0 132 1,-0.3 -1,-0.1 -48,-0.2 -44,-0.0 0.855 111.4 24.8 -65.9 -37.8 12.2 40.1 49.0 208 208 A R S > S+ 0 0 90 1,-0.1 3,-2.2 -5,-0.0 -1,-0.3 -0.680 70.0 174.1-125.5 75.9 12.1 39.9 52.8 209 209 A P G > S+ 0 0 32 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.735 71.3 72.2 -56.1 -25.1 14.8 42.2 54.1 210 210 A E G 3 S+ 0 0 125 1,-0.3 -6,-0.0 -6,-0.1 -7,-0.0 0.744 90.9 60.3 -70.0 -17.6 13.8 41.7 57.8 211 211 A L G < S+ 0 0 24 -3,-2.2 -33,-3.1 -34,-0.1 2,-0.4 0.507 99.5 68.3 -80.2 -6.2 15.3 38.2 57.6 212 212 A Y E < +j 178 0C 1 -3,-2.1 -33,-0.2 -35,-0.2 2,-0.2 -0.966 48.2 147.5-126.2 138.7 18.8 39.4 56.8 213 213 A G E -j 179 0C 0 -35,-2.4 -33,-2.7 -2,-0.4 2,-0.3 -0.586 42.3 -84.1-139.3-158.0 21.6 41.3 58.6 214 214 A V E -jk 180 241C 0 26,-2.7 28,-1.2 -35,-0.3 29,-1.2 -0.851 11.2-158.9-118.3 153.7 25.4 41.4 58.6 215 215 A N - 0 0 0 -35,-2.2 29,-0.2 -2,-0.3 26,-0.1 -0.784 29.6-168.7-119.0 78.2 28.1 39.4 60.3 216 216 A P - 0 0 0 0, 0.0 29,-2.7 0, 0.0 2,-0.4 -0.403 8.3-146.9 -69.2 152.4 31.0 41.9 60.0 217 217 A E B > -d 245 0A 0 -35,-0.3 4,-1.8 27,-0.2 5,-0.3 -0.977 12.4-136.2-123.0 133.4 34.6 40.9 60.9 218 218 A V H > S+ 0 0 9 27,-1.9 4,-1.5 -2,-0.4 -1,-0.1 0.893 104.8 44.1 -47.4 -57.5 37.2 43.2 62.4 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.840 108.5 58.4 -67.6 -30.5 40.0 42.1 60.1 220 220 A H H >4 S+ 0 0 3 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.908 107.0 44.1 -70.3 -41.5 37.9 42.2 56.9 221 221 A E H ><>S+ 0 0 5 -4,-1.8 5,-2.1 1,-0.2 3,-1.3 0.865 112.1 55.6 -67.7 -34.7 36.9 45.8 57.1 222 222 A Q H ><5S+ 0 0 15 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.2 0.747 92.7 69.1 -68.8 -20.7 40.5 46.6 58.0 223 223 A M T <<5S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.612 103.9 45.2 -67.1 -15.0 41.7 44.9 54.8 224 224 A A T < 5S- 0 0 43 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.205 120.8-111.8-104.5 9.9 40.0 47.9 53.0 225 225 A G T < 5 + 0 0 52 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.700 69.4 148.1 71.3 18.5 41.6 50.4 55.5 226 226 A L < - 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0 0 57 -4,-0.9 3,-1.4 -3,-0.7 5,-0.2 -0.589 47.5-172.9 -80.0 103.3 15.7 81.9 61.2 354 354 A R G > >S+ 0 0 128 -2,-1.0 5,-3.7 1,-0.3 3,-1.3 0.749 82.6 65.7 -66.3 -23.1 18.0 84.8 60.7 355 355 A S G 3 5S+ 0 0 72 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.633 95.2 60.1 -76.3 -13.0 20.4 83.4 63.3 356 356 A A G < 5S- 0 0 43 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.477 133.0 -19.8 -85.7 -9.9 21.0 80.4 61.1 357 357 A F T X 5S+ 0 0 177 -3,-1.3 3,-1.4 -4,-0.2 -3,-0.1 0.155 128.0 52.8-154.5 -74.0 22.4 82.5 58.2 358 358 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.886 129.5 21.8 -52.3 -44.3 21.8 86.2 57.7 359 359 A E T 3 + 0 0 99 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 -0.789 25.0 179.2 -87.2 95.7 28.6 84.9 63.2 362 362 A V H > S+ 0 0 86 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.806 75.9 53.2 -71.6 -34.6 30.8 82.4 61.3 363 363 A D H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.853 108.8 49.0 -67.2 -37.7 34.1 83.7 62.6 364 364 A A H 4 S+ 0 0 47 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.926 114.6 45.5 -66.8 -44.0 33.0 83.3 66.3 365 365 A A H >< S+ 0 0 21 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.910 111.9 52.1 -62.5 -44.9 31.8 79.8 65.6 366 366 A A H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.7 59.3 -57.7 -33.7 35.0 78.9 63.6 367 367 A A T 3< S+ 0 0 84 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.3 0.654 79.5 102.4 -75.7 -14.0 37.1 80.1 66.5 368 368 A R S < S- 0 0 152 -3,-1.4 2,-0.1 -4,-0.4 -3,-0.0 -0.601 71.2-134.3 -75.4 124.2 35.7 77.6 69.1 369 369 A G - 0 0 58 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.1 -0.410 2.0-140.7 -70.4 152.8 38.1 74.7 69.6 370 370 A M - 0 0 80 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.644 22.3-143.4 -86.2 -15.2 36.5 71.2 69.6 371 371 A A > + 0 0 50 1,-0.1 4,-1.6 3,-0.1 5,-0.1 0.735 52.0 141.3 55.8 32.6 38.8 70.0 72.5 372 372 A F H > + 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.807 61.6 57.2 -71.8 -32.2 39.1 66.6 70.9 373 373 A E H > S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 106.2 49.0 -73.6 -35.5 42.7 66.0 71.8 374 374 A R H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.963 113.5 47.7 -64.5 -44.6 42.1 66.4 75.5 375 375 A L H X S+ 0 0 22 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.928 111.4 50.6 -56.2 -46.6 39.2 64.0 75.2 376 376 A D H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 107.7 52.8 -68.5 -30.5 41.3 61.5 73.2 377 377 A Q H X S+ 0 0 99 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.871 106.4 53.1 -71.7 -35.0 44.2 61.6 75.8 378 378 A L H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 109.1 50.0 -59.9 -39.9 41.7 60.8 78.6 379 379 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.880 111.7 48.4 -62.4 -40.9 40.6 57.8 76.5 380 380 A M H X S+ 0 0 49 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.951 110.4 50.2 -62.4 -47.4 44.3 56.8 76.1 381 381 A D H X>S+ 0 0 34 -4,-3.0 5,-2.9 1,-0.2 4,-0.8 0.906 112.1 48.3 -59.6 -41.2 44.9 57.2 79.8 382 382 A H H ><5S+ 0 0 18 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.930 110.6 50.5 -64.1 -46.6 41.9 55.0 80.6 383 383 A L H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.4 42.5 -55.1 -44.3 43.0 52.3 78.1 384 384 A L H 3<5S- 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.523 109.5-120.5 -84.1 -4.1 46.5 52.2 79.6 385 385 A G T <<5S+ 0 0 55 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.857 75.9 128.2 66.2 39.8 45.2 52.3 83.2 386 386 A A < + 0 0 56 -5,-2.9 2,-1.3 -6,-0.2 -4,-0.2 -0.088 25.7 160.5-118.4 27.6 47.3 55.5 83.6 387 387 A R 0 0 81 -6,-0.4 -9,-0.0 1,-0.2 -5,-0.0 -0.336 360.0 360.0 -64.9 101.2 44.7 57.8 85.0 388 388 A G 0 0 100 -2,-1.3 -1,-0.2 0, 0.0 -2,-0.0 0.506 360.0 360.0-125.7 360.0 46.5 60.7 86.7