==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-OCT-09 3KBS . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR A.Y.KOVALEVSKY,L.HANSON,P.LANGAN . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19841.0 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 . 39 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 0 1 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 0 239 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.3 42.2 40.0 90.7 2 2 A N - 0 0 112 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.000 360.0-106.9-101.6-167.6 41.5 38.9 87.2 3 3 A Y + 0 0 45 2,-0.0 308,-0.2 -2,-0.0 309,-0.1 -0.701 41.5 168.9-119.5 57.9 39.4 38.7 84.0 4 4 A Q - 0 0 121 -2,-0.2 2,-0.1 307,-0.1 43,-0.1 -0.702 29.6-132.9 -82.7 122.8 38.1 35.1 83.9 5 5 A P - 0 0 13 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.426 19.6-162.0 -72.1 151.0 35.3 34.7 81.3 6 6 A T > - 0 0 56 -2,-0.1 3,-2.8 1,-0.0 5,-0.4 -0.895 36.8-103.9-123.8 157.6 32.1 32.8 82.1 7 7 A P G > S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 42,-0.1 0.779 118.9 68.3 -52.7 -23.7 29.4 31.3 79.8 8 8 A E G 3 S+ 0 0 171 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.693 84.7 68.8 -68.6 -18.3 27.3 34.4 80.7 9 9 A D G < S- 0 0 39 -3,-2.8 -1,-0.3 38,-0.2 275,-0.1 0.596 104.2-132.5 -77.1 -8.5 29.8 36.5 78.7 10 10 A R < + 0 0 70 -3,-1.4 274,-2.9 -4,-0.3 2,-0.5 0.843 40.4 170.4 68.0 36.1 28.5 34.8 75.6 11 11 A F E -a 284 0A 0 -5,-0.4 38,-3.2 36,-0.3 39,-1.5 -0.639 8.0-176.6 -82.7 124.4 31.8 34.0 74.1 12 12 A T E -ab 285 50A 0 272,-2.8 274,-2.3 -2,-0.5 2,-0.3 -0.859 11.7-163.6-122.5 162.4 31.7 31.7 71.1 13 13 A F E -ab 286 51A 0 37,-1.5 39,-1.8 -2,-0.3 2,-0.2 -0.998 21.6-121.0-140.5 139.7 34.3 30.0 68.8 14 14 A G E >> - b 0 52A 0 272,-1.1 3,-2.0 -2,-0.3 4,-0.8 -0.609 22.2-126.5 -81.7 146.9 34.1 28.3 65.4 15 15 A L H 3> S+ 0 0 12 37,-2.8 4,-1.0 1,-0.3 -1,-0.1 0.832 111.7 57.4 -52.5 -34.2 35.2 24.7 65.1 16 16 A W H 34 S+ 0 0 47 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.588 97.6 64.0 -78.7 -7.6 37.5 25.8 62.3 17 17 A T H X4 S+ 0 0 0 -3,-2.0 3,-2.0 2,-0.2 -2,-0.2 0.979 113.9 24.4 -80.5 -72.3 39.3 28.4 64.5 18 18 A V H 3< S+ 0 0 1 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.735 124.1 59.1 -63.7 -20.0 41.0 26.3 67.2 19 19 A G T 3< S+ 0 0 22 -4,-1.0 15,-0.3 -5,-0.4 -1,-0.3 0.479 72.4 128.2 -86.3 -0.6 40.9 23.5 64.7 20 20 A W < - 0 0 49 -3,-2.0 -3,-0.1 268,-0.2 -4,-0.0 -0.410 48.6-156.5 -59.7 122.7 42.9 25.3 62.1 21 21 A Q - 0 0 52 -2,-0.2 9,-1.9 2,-0.1 10,-1.8 0.449 37.0-113.7 -83.8 0.2 45.7 22.9 61.1 22 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.2 270,-0.1 0.683 60.5 151.0 79.3 21.3 48.0 25.7 59.9 23 23 A R + 0 0 144 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.749 20.7 173.7 -74.4 130.3 48.2 25.0 56.2 24 24 A D B > -F 27 0B 68 3,-1.9 3,-1.6 -2,-0.4 5,-0.0 -0.716 51.5 -78.5-129.7-178.8 48.7 28.4 54.5 25 25 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.723 130.3 32.2 -52.6 -18.9 49.4 29.4 50.8 26 26 A F T 3 S+ 0 0 193 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.153 116.3 42.0-125.9 18.6 53.1 28.4 51.3 27 27 A G B < -F 24 0B 22 -3,-1.6 -3,-1.9 0, 0.0 -1,-0.1 -0.976 67.4-107.5-168.9 152.8 53.2 25.6 53.7 28 28 A D - 0 0 133 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.080 57.2 -68.2 -72.7 169.2 51.8 22.3 55.1 29 29 A A - 0 0 35 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.280 34.7-170.3 -60.4 140.1 49.9 21.7 58.3 30 30 A T S S+ 0 0 64 -9,-1.9 2,-0.4 1,-0.1 -8,-0.2 0.516 70.6 53.0-106.0 -9.2 51.8 22.2 61.5 31 31 A R S S- 0 0 14 -10,-1.8 -1,-0.1 264,-0.1 3,-0.1 -0.961 82.0-115.9-129.6 145.5 49.1 20.7 63.7 32 32 A R - 0 0 125 -2,-0.4 -2,-0.1 1,-0.1 2,-0.0 -0.410 47.1 -86.3 -71.4 155.2 47.1 17.5 63.7 33 33 A A - 0 0 57 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.265 40.3-135.5 -64.3 138.8 43.4 17.5 63.2 34 34 A L - 0 0 25 -15,-0.3 -1,-0.1 -3,-0.1 -13,-0.0 -0.811 12.4-124.7 -98.5 137.9 41.2 18.0 66.2 35 35 A D >> - 0 0 57 -2,-0.4 4,-1.9 1,-0.1 3,-1.2 -0.675 23.1-128.8 -73.0 129.4 38.0 16.0 67.0 36 36 A P H 3> S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.838 108.4 58.7 -50.8 -35.4 35.1 18.4 67.4 37 37 A V H 3> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.895 104.0 50.3 -66.8 -35.3 34.2 16.8 70.6 38 38 A E H <> S+ 0 0 67 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.949 110.1 50.9 -66.1 -41.8 37.6 17.6 72.0 39 39 A S H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.945 108.6 50.4 -60.8 -44.2 37.3 21.2 71.0 40 40 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.932 113.2 46.8 -58.2 -44.0 33.9 21.6 72.6 41 41 A R H X S+ 0 0 122 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.941 114.2 46.4 -64.2 -48.1 35.2 20.1 75.9 42 42 A R H X S+ 0 0 64 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.902 112.1 49.5 -65.0 -39.2 38.4 22.2 75.9 43 43 A L H >X>S+ 0 0 1 -4,-3.1 5,-2.2 -5,-0.3 4,-0.6 0.933 108.4 53.8 -67.9 -38.8 36.6 25.5 75.1 44 44 A A H ><5S+ 0 0 28 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.923 104.3 54.8 -59.1 -40.2 34.0 24.9 77.8 45 45 A E H 3<5S+ 0 0 119 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.851 106.3 53.5 -62.3 -28.1 36.8 24.4 80.3 46 46 A L H <<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.538 126.8-102.3 -82.1 -9.2 38.1 27.8 79.2 47 47 A G T <<5 + 0 0 7 -3,-1.4 -36,-0.3 -4,-0.6 -38,-0.2 0.624 63.9 159.0 99.2 18.9 34.7 29.4 79.9 48 48 A A < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -36,-0.2 -0.362 36.9-146.7 -66.8 155.2 33.3 29.6 76.3 49 49 A H - 0 0 31 -38,-3.2 36,-1.8 1,-0.3 2,-0.3 0.761 67.8 -35.0 -94.1 -28.2 29.5 29.8 76.0 50 50 A G E -bc 12 85A 0 -39,-1.5 -37,-1.5 34,-0.3 2,-0.3 -0.986 50.7-110.5-174.7-178.0 29.4 27.9 72.7 51 51 A V E -b 13 0A 0 34,-2.3 37,-0.4 -2,-0.3 2,-0.3 -0.908 16.6-154.0-132.2 158.3 30.7 26.8 69.3 52 52 A T E -b 14 0A 1 -39,-1.8 -37,-2.8 -2,-0.3 2,-0.3 -0.878 15.9-161.2-129.3 162.5 29.7 27.4 65.6 53 53 A F E -g 89 0C 0 35,-0.7 37,-2.0 -2,-0.3 2,-0.3 -0.998 24.9-133.0-150.0 149.4 30.4 25.2 62.6 54 54 A H E >> -g 90 0C 16 -2,-0.3 3,-1.4 35,-0.2 4,-1.2 -0.729 41.6-116.4 -79.1 144.5 30.6 24.9 58.9 55 55 A D H >> S+ 0 0 15 35,-1.2 4,-2.6 -2,-0.3 3,-1.2 0.942 118.2 48.1 -44.9 -57.2 28.7 21.8 57.6 56 56 A D H 34 S+ 0 0 37 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.606 103.7 62.4 -69.9 -8.0 32.0 20.3 56.4 57 57 A D H <4 S+ 0 0 52 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.847 116.1 29.7 -74.8 -33.8 33.7 21.1 59.7 58 58 A L H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-1.2 -3,-0.1 0.888 131.0 32.4 -91.0 -45.6 31.3 18.8 61.6 59 59 A I S < S- 0 0 16 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.1 -0.984 90.5-121.1-123.0 110.5 30.5 16.2 58.9 60 60 A P > - 0 0 63 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.302 40.7 -92.0 -60.4 134.3 33.3 15.4 56.4 61 61 A F T 3 S+ 0 0 93 1,-0.3 -5,-0.0 -5,-0.2 -6,-0.0 -0.190 113.2 22.7 -46.2 127.5 32.4 16.1 52.8 62 62 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.412 87.0 159.1 90.2 4.7 30.9 13.0 51.1 63 63 A S < - 0 0 27 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 -0.292 41.7-116.0 -61.3 141.3 29.9 11.4 54.4 64 64 A S >> - 0 0 49 1,-0.1 4,-2.4 4,-0.0 3,-1.9 -0.503 26.3-108.1 -77.6 152.0 27.2 8.8 54.3 65 65 A D H 3> S+ 0 0 118 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.841 124.0 48.7 -43.1 -44.6 23.8 9.4 55.9 66 66 A S H 3> S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.677 110.1 51.7 -79.5 -13.6 24.7 6.9 58.6 67 67 A E H <> S+ 0 0 95 -3,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.873 106.5 54.1 -82.8 -37.2 28.1 8.6 59.0 68 68 A R H X S+ 0 0 56 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.918 106.3 52.7 -54.3 -52.1 26.2 11.9 59.4 69 69 A E H X S+ 0 0 110 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.929 109.1 49.6 -51.2 -50.1 24.2 10.4 62.2 70 70 A E H X S+ 0 0 100 -4,-1.1 4,-1.9 1,-0.2 5,-0.3 0.914 111.6 47.5 -58.7 -44.9 27.4 9.3 63.9 71 71 A H H X S+ 0 0 61 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.937 115.0 45.6 -67.2 -42.9 29.0 12.7 63.7 72 72 A V H X S+ 0 0 18 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.973 111.3 50.2 -63.7 -55.0 26.0 14.6 65.0 73 73 A K H X S+ 0 0 127 -4,-2.8 4,-3.0 1,-0.3 5,-0.2 0.923 112.4 47.4 -50.8 -53.8 25.2 12.2 67.9 74 74 A R H X S+ 0 0 111 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.3 0.893 113.9 48.1 -51.4 -43.4 28.7 12.3 69.2 75 75 A F H X S+ 0 0 2 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.935 110.7 52.6 -66.6 -40.5 28.7 16.1 68.8 76 76 A R H X S+ 0 0 97 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.924 106.7 51.4 -58.5 -47.5 25.3 16.2 70.6 77 77 A Q H X S+ 0 0 98 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.889 108.5 52.1 -60.4 -39.9 26.6 14.2 73.6 78 78 A A H X S+ 0 0 8 -4,-1.9 4,-1.1 -5,-0.2 6,-0.3 0.945 110.6 46.9 -62.5 -44.0 29.6 16.6 73.9 79 79 A L H X S+ 0 0 10 -4,-2.1 4,-1.4 1,-0.2 5,-0.3 0.812 113.4 49.4 -67.0 -31.8 27.3 19.6 74.0 80 80 A D H < S+ 0 0 106 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 109.7 52.1 -71.2 -38.9 25.0 17.9 76.5 81 81 A D H < S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.721 120.6 32.0 -70.1 -18.9 28.0 17.0 78.7 82 82 A T H < S- 0 0 44 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.612 96.6-120.1-117.5 -8.1 29.3 20.6 78.8 83 83 A G < + 0 0 49 -4,-1.4 -3,-0.1 1,-0.3 -4,-0.1 0.465 61.9 149.8 79.3 -2.5 26.3 23.0 78.7 84 84 A M - 0 0 7 -5,-0.3 -1,-0.3 -6,-0.3 -34,-0.3 -0.355 31.7-151.2 -68.5 144.7 27.8 24.5 75.5 85 85 A K B -c 50 0A 118 -36,-1.8 -34,-2.3 -3,-0.1 45,-0.1 -0.615 14.4-136.2-109.8 172.6 25.4 25.9 72.9 86 86 A V + 0 0 4 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.791 30.3 164.9-127.4 83.9 25.4 26.3 69.1 87 87 A P + 0 0 9 0, 0.0 45,-1.9 0, 0.0 46,-1.8 0.758 63.4 26.8 -76.3 -22.8 24.1 29.8 68.4 88 88 A M E - h 0 133C 2 -37,-0.4 -35,-0.7 43,-0.2 2,-0.3 -0.963 58.3-179.3-139.8 154.0 25.3 30.1 64.8 89 89 A A E -gh 53 134C 0 44,-1.6 46,-2.5 -2,-0.3 2,-0.3 -0.953 4.4-175.5-145.5 168.8 26.0 27.8 61.8 90 90 A T E -gh 54 135C 5 -37,-2.0 -35,-1.2 -2,-0.3 2,-0.4 -0.927 23.7-111.3-155.7 170.0 27.2 28.3 58.2 91 91 A T - 0 0 11 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.893 22.1-128.5-109.4 141.4 27.8 26.4 55.0 92 92 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.795 42.9 152.3 -85.5 105.3 31.2 25.7 53.4 93 93 A L + 0 0 20 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.266 63.8 56.3-119.3 45.7 30.9 26.8 49.8 94 94 A F S S+ 0 0 33 45,-0.1 -1,-0.1 9,-0.1 8,-0.1 0.544 89.2 62.3-143.8 -22.9 34.5 27.7 49.1 95 95 A T S S+ 0 0 90 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.919 82.0 79.9 -80.1 -48.2 36.8 24.7 49.8 96 96 A H S > S- 0 0 65 -4,-0.2 3,-2.5 1,-0.2 4,-0.0 -0.437 84.3-124.0 -64.4 138.3 35.7 22.1 47.4 97 97 A P G > S+ 0 0 90 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.731 107.0 72.9 -52.9 -24.8 37.1 22.6 43.8 98 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.826 95.1 53.3 -64.1 -24.0 33.5 22.6 42.5 99 99 A F G X S+ 0 0 0 -3,-2.5 3,-1.7 1,-0.2 -1,-0.3 0.126 71.0 119.2 -92.5 19.2 33.1 26.1 44.1 100 100 A K T < S+ 0 0 148 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.731 85.4 33.4 -62.8 -21.6 36.2 27.6 42.4 101 101 A D T 3 S- 0 0 39 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.236 131.6 -80.3-115.2 9.3 34.1 30.2 40.5 102 102 A G < - 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0 0 24 -3,-1.0 4,-2.7 -4,-1.0 3,-0.7 -0.528 61.8-148.4 -73.6 122.7 34.4 59.0 84.6 324 324 A P H 3> S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.854 100.2 56.3 -60.7 -35.6 33.0 62.5 85.6 325 325 A E H 3> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.853 109.7 45.4 -64.1 -35.6 36.1 64.1 84.0 326 326 A V H <> S+ 0 0 0 -3,-0.7 4,-2.8 -6,-0.2 5,-0.2 0.922 109.0 54.5 -74.2 -42.6 35.3 62.3 80.7 327 327 A Q H X S+ 0 0 82 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.922 109.6 49.6 -57.3 -38.0 31.5 63.2 80.9 328 328 A E H X S+ 0 0 134 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.934 109.9 49.2 -66.0 -42.1 32.6 66.8 81.3 329 329 A A H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.868 106.0 57.2 -63.8 -38.4 35.0 66.7 78.3 330 330 A L H <>S+ 0 0 30 -4,-2.8 5,-2.2 1,-0.2 6,-0.5 0.904 109.1 46.1 -59.6 -37.5 32.3 65.1 76.2 331 331 A R H ><5S+ 0 0 150 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.915 108.6 56.1 -68.4 -38.1 30.2 68.2 77.0 332 332 A A H 3<5S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.842 110.0 45.3 -59.3 -31.6 33.1 70.3 76.2 333 333 A S T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 38,-0.1 -2,-0.2 0.387 114.4-120.0 -94.5 -1.3 33.3 68.7 72.8 334 334 A R T <>5 + 0 0 52 -3,-1.3 4,-1.7 -4,-0.3 -3,-0.2 0.770 63.6 144.7 71.0 28.4 29.6 69.0 72.3 335 335 A L H >4 S+ 0 0 116 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.850 101.9 61.9 -69.0 -31.3 24.8 68.8 70.9 338 338 A L H 3< S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 101.6 53.0 -58.4 -37.0 25.4 66.1 68.3 339 339 A A T 3< S+ 0 0 89 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.531 91.9 88.2 -82.7 -4.3 22.4 64.1 69.7 340 340 A R S < S- 0 0 133 -3,-1.1 0, 0.0 -4,-0.4 0, 0.0 -0.734 90.9 -96.5 -90.4 146.2 19.9 66.9 69.6 341 341 A P - 0 0 101 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.221 22.6-141.1 -57.6 141.2 17.9 67.5 66.4 342 342 A T S S+ 0 0 145 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.929 92.8 6.4 -69.3 -45.5 19.2 70.0 64.0 343 343 A A > + 0 0 35 1,-0.1 3,-1.7 2,-0.1 -1,-0.2 -0.483 65.9 150.7-142.4 65.4 15.8 71.4 63.0 344 344 A A T 3 S+ 0 0 85 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.878 75.5 69.3 -63.3 -32.1 13.1 70.0 65.1 345 345 A D T 3 S- 0 0 99 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.644 111.1-120.1 -60.5 -17.3 11.3 73.3 64.5 346 346 A G <> - 0 0 28 -3,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.028 25.2 -67.7 96.1 160.8 10.9 72.3 60.8 347 347 A L H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 126.2 51.8 -55.6 -48.1 12.0 73.5 57.4 348 348 A Q H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.945 111.2 47.0 -61.5 -45.8 9.9 76.6 57.4 349 349 A A H > S+ 0 0 38 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.925 111.2 52.6 -63.7 -37.2 11.2 77.8 60.7 350 350 A L H < S+ 0 0 73 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.919 109.0 49.5 -60.7 -43.7 14.8 77.1 59.6 351 351 A L H < S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.5 46.3 -64.6 -32.1 14.3 79.1 56.5 352 352 A D H < S+ 0 0 111 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.689 87.1 103.7 -85.3 -18.9 12.9 82.1 58.4 353 353 A D >< - 0 0 61 -4,-1.3 3,-0.9 -3,-0.4 5,-0.3 -0.531 50.0-169.8 -73.5 113.5 15.5 82.0 61.2 354 354 A R G > >S+ 0 0 128 -2,-0.5 5,-4.4 1,-0.2 3,-1.1 0.771 83.7 65.9 -75.0 -23.2 18.0 84.8 60.6 355 355 A S G 3 5S+ 0 0 73 1,-0.3 -1,-0.2 3,-0.2 6,-0.1 0.632 94.6 59.7 -74.7 -13.2 20.3 83.4 63.2 356 356 A A G < 5S- 0 0 46 -3,-0.9 -1,-0.3 -6,-0.2 -2,-0.2 0.541 133.3 -18.4 -90.0 -7.6 20.9 80.4 61.0 357 357 A F T X 5S+ 0 0 172 -3,-1.1 3,-1.6 -4,-0.2 5,-0.1 0.171 128.7 52.2-152.1 -77.7 22.3 82.4 58.1 358 358 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.3 -4,-0.1 0.845 128.3 22.4 -46.8 -43.9 21.7 86.1 57.7 359 359 A E T 3 + 0 0 99 -2,-0.5 4,-1.7 1,-0.2 3,-0.2 -0.744 22.7 179.1 -83.9 86.0 28.6 84.9 63.0 362 362 A V H > S+ 0 0 86 -2,-1.2 4,-3.0 1,-0.2 5,-0.2 0.862 74.6 59.1 -58.8 -40.0 30.6 82.3 61.2 363 363 A D H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 104.9 46.9 -67.3 -37.8 33.9 83.6 62.5 364 364 A A H > S+ 0 0 52 -3,-0.2 4,-0.7 2,-0.2 3,-0.3 0.961 114.4 47.7 -70.2 -38.5 33.0 83.2 66.2 365 365 A A H >< S+ 0 0 22 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.909 109.5 54.3 -63.3 -41.1 31.8 79.7 65.5 366 366 A A H 3< S+ 0 0 81 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 103.3 57.9 -58.0 -30.1 34.9 79.0 63.5 367 367 A A H 3< S+ 0 0 84 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.711 80.2 104.8 -78.3 -18.1 37.0 80.1 66.5 368 368 A R << - 0 0 146 -3,-1.1 2,-0.1 -4,-0.7 -4,-0.0 -0.542 69.2-133.5 -70.5 119.8 35.6 77.5 68.9 369 369 A G - 0 0 55 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.383 1.2-144.5 -67.7 146.2 37.9 74.7 69.7 370 370 A M - 0 0 77 -2,-0.1 -1,-0.1 -36,-0.0 -2,-0.0 0.736 22.3-143.9 -84.4 -20.3 36.4 71.2 69.6 371 371 A A > + 0 0 46 1,-0.1 4,-1.4 -38,-0.1 -38,-0.1 0.728 51.8 140.2 61.8 31.1 38.6 69.9 72.5 372 372 A F H > + 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.740 61.9 57.2 -74.0 -26.7 38.9 66.5 70.8 373 373 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 106.4 48.0 -79.5 -34.7 42.6 65.9 71.7 374 374 A R H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 114.3 48.9 -64.8 -42.7 42.1 66.4 75.4 375 375 A L H X S+ 0 0 21 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.976 110.4 49.6 -59.6 -48.8 39.2 64.0 75.1 376 376 A D H X S+ 0 0 44 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.842 108.2 53.2 -64.2 -27.7 41.2 61.4 73.2 377 377 A Q H X S+ 0 0 95 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.887 105.8 54.0 -73.2 -32.7 44.1 61.5 75.7 378 378 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 109.4 48.6 -64.5 -35.4 41.5 60.8 78.5 379 379 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.897 111.6 49.8 -66.5 -39.2 40.5 57.8 76.4 380 380 A M H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.959 109.6 50.3 -59.7 -54.2 44.2 56.9 76.1 381 381 A D H X>S+ 0 0 32 -4,-3.3 5,-2.7 1,-0.2 4,-1.0 0.917 111.6 48.4 -51.4 -47.1 44.8 57.2 79.8 382 382 A H H ><5S+ 0 0 23 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.952 110.6 50.3 -64.4 -45.6 41.8 55.0 80.5 383 383 A L H 3<5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.1 43.1 -53.7 -48.5 42.8 52.3 78.1 384 384 A L H 3<5S- 0 0 114 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.499 110.3-119.1 -80.4 -7.6 46.4 52.1 79.5 385 385 A G T <<5S+ 0 0 56 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.923 78.9 121.1 73.2 38.8 45.3 52.3 83.1 386 386 A A < + 0 0 58 -5,-2.7 2,-0.5 -6,-0.2 -4,-0.2 -0.076 26.4 155.6-130.6 35.6 47.2 55.5 83.7 387 387 A R 0 0 84 -6,-0.3 -9,-0.0 -5,-0.1 -5,-0.0 -0.573 360.0 360.0 -71.7 121.6 44.5 57.9 84.8 388 388 A G 0 0 104 -2,-0.5 -2,-0.1 0, 0.0 -7,-0.0 -0.990 360.0 360.0 151.5 360.0 46.2 60.6 86.8