==== 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 2XIS . 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) . 19559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.6 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 . 18 4.7 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 . 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 3 A Y 0 0 107 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 50.1 7.6 38.9 19.2 2 4 A Q - 0 0 167 307,-0.1 2,-0.2 304,-0.0 43,-0.1 -0.739 360.0-138.0 -92.0 126.4 9.1 35.4 19.2 3 5 A P - 0 0 13 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.557 18.0-170.1 -80.1 153.2 11.8 34.7 21.8 4 6 A T > - 0 0 68 -2,-0.2 3,-2.8 1,-0.0 5,-0.3 -0.908 43.6 -97.3-133.8 161.3 15.0 32.8 20.9 5 7 A P G > S+ 0 0 76 0, 0.0 3,-1.6 0, 0.0 42,-0.1 0.772 119.0 71.4 -52.2 -21.4 17.7 31.4 23.2 6 8 A E G 3 S+ 0 0 90 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.703 82.7 68.3 -70.1 -18.3 19.6 34.6 22.5 7 9 A D G < S- 0 0 37 -3,-2.8 -1,-0.3 38,-0.2 275,-0.2 0.520 102.1-132.8 -76.5 -9.7 17.2 36.7 24.5 8 10 A R < + 0 0 59 -3,-1.6 274,-2.5 -4,-0.3 2,-0.4 0.785 40.7 168.9 61.8 36.7 18.5 35.0 27.6 9 11 A F E -a 282 0A 1 -5,-0.3 38,-3.2 36,-0.3 39,-1.3 -0.668 8.1-178.9 -82.6 129.3 15.1 34.2 29.2 10 12 A T E -ab 283 48A 0 272,-2.3 274,-2.7 -2,-0.4 2,-0.3 -0.858 11.8-164.2-128.2 157.6 15.2 31.8 32.2 11 13 A F E -ab 284 49A 0 37,-1.2 39,-1.7 -2,-0.3 2,-0.2 -0.998 21.9-119.4-138.6 145.8 12.7 30.2 34.6 12 14 A G E >> - b 0 50A 0 272,-1.2 3,-1.7 -2,-0.3 4,-0.9 -0.498 22.7-126.6 -81.1 148.1 12.8 28.4 37.9 13 15 A L H 3> S+ 0 0 12 37,-2.2 4,-1.2 1,-0.3 -1,-0.1 0.845 111.4 60.4 -54.3 -37.2 11.6 24.9 38.1 14 16 A W H 34 S+ 0 0 40 2,-0.2 -1,-0.3 3,-0.1 37,-0.1 0.392 97.5 61.3 -70.1 -7.0 9.4 26.0 41.0 15 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-1.8 2,-0.2 -2,-0.2 0.949 115.1 24.9 -87.1 -70.6 7.5 28.5 38.8 16 18 A V H 3< S+ 0 0 0 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.765 124.1 60.6 -64.9 -20.8 5.9 26.5 36.0 17 19 A G T 3< S+ 0 0 22 -4,-1.2 2,-0.4 -5,-0.3 15,-0.3 0.389 72.1 124.5 -85.9 1.1 6.1 23.6 38.6 18 20 A W < - 0 0 56 -3,-1.8 -3,-0.1 1,-0.1 -4,-0.0 -0.510 49.6-156.2 -68.3 125.4 3.9 25.4 41.3 19 21 A Q - 0 0 80 -2,-0.4 9,-1.9 1,-0.1 10,-1.8 0.495 40.2-107.8 -79.4 -9.9 1.0 23.1 42.2 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.2 270,-0.1 0.518 61.8 152.7 92.6 16.0 -1.3 25.9 43.4 21 23 A R + 0 0 128 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.565 17.1 170.1 -75.6 131.9 -1.3 25.3 47.2 22 24 A D B > -F 25 0B 54 3,-1.5 3,-1.5 -2,-0.3 5,-0.0 -0.758 52.7 -81.6-129.3-178.6 -2.0 28.6 49.1 23 25 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.703 130.6 29.6 -60.1 -25.5 -2.8 29.5 52.7 24 26 A F T 3 S+ 0 0 201 2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.192 116.8 55.8-117.7 13.6 -6.4 28.6 52.2 25 27 A G B < -F 22 0B 10 -3,-1.5 -3,-1.5 -5,-0.0 2,-0.1 -0.997 64.7-122.6-155.4 152.6 -6.4 25.9 49.5 26 28 A D - 0 0 123 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.316 55.8 -69.5 -81.8 172.2 -5.1 22.5 48.3 27 29 A A - 0 0 52 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.305 34.7-169.3 -63.1 145.6 -3.2 21.9 45.1 28 30 A T S S+ 0 0 65 -9,-1.9 2,-0.3 -3,-0.1 -8,-0.2 0.402 70.3 49.4-110.1 -11.7 -5.1 22.3 41.8 29 31 A R S S- 0 0 16 -10,-1.8 -1,-0.1 264,-0.1 -8,-0.1 -0.976 82.1-113.8-130.6 153.9 -2.4 20.8 39.6 30 32 A R - 0 0 136 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.337 47.7 -88.4 -76.6 162.5 -0.3 17.6 39.6 31 33 A A - 0 0 58 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.389 39.1-133.8 -73.1 151.1 3.5 17.8 40.1 32 34 A L - 0 0 22 -15,-0.3 -1,-0.1 -3,-0.1 -15,-0.0 -0.876 15.9-121.5-104.5 139.4 5.6 18.2 37.0 33 35 A D >> - 0 0 61 -2,-0.4 4,-1.7 1,-0.1 3,-1.2 -0.697 22.6-126.3 -77.9 134.5 8.8 16.2 36.4 34 36 A P H 3> S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.760 109.9 59.4 -48.9 -37.8 11.8 18.5 36.0 35 37 A V H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.886 104.9 49.2 -61.1 -40.6 12.6 16.7 32.7 36 38 A E H <> S+ 0 0 72 -3,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.884 109.3 51.4 -65.7 -41.4 9.2 17.7 31.3 37 39 A S H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.903 107.7 53.4 -60.9 -43.0 9.6 21.3 32.3 38 40 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.914 112.4 43.9 -57.7 -50.8 13.0 21.5 30.6 39 41 A R H X S+ 0 0 103 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 114.1 48.2 -60.5 -48.6 11.6 20.2 27.3 40 42 A R H X S+ 0 0 84 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.900 112.5 49.7 -63.4 -40.0 8.5 22.4 27.4 41 43 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.7 0.885 108.0 53.4 -64.6 -41.2 10.5 25.5 28.2 42 44 A A H ><5S+ 0 0 31 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.909 106.4 52.8 -59.7 -42.9 13.0 24.8 25.4 43 45 A E H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 105.4 55.1 -63.0 -29.7 10.1 24.6 22.9 44 46 A L H 3<5S- 0 0 40 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.625 124.7-101.0 -79.9 -11.4 8.8 28.0 24.0 45 47 A G T <<5 + 0 0 9 -3,-1.2 -36,-0.3 -4,-0.7 -38,-0.2 0.570 66.9 154.7 103.4 9.7 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 -0.383 38.2-146.5 -68.0 154.2 13.7 29.8 26.8 47 49 A H - 0 0 42 -38,-3.2 36,-1.9 1,-0.2 2,-0.3 0.702 66.3 -30.3 -88.6 -33.2 17.5 29.9 27.3 48 50 A G E -bc 10 83A 0 -39,-1.3 -37,-1.2 34,-0.3 2,-0.3 -0.980 52.2-114.8-172.2-179.4 17.7 28.0 30.6 49 51 A V E -b 11 0A 0 34,-2.1 37,-0.5 -2,-0.3 2,-0.3 -0.867 14.4-152.5-130.5 167.5 16.4 27.0 33.9 50 52 A T E -b 12 0A 0 -39,-1.7 -37,-2.2 -2,-0.3 2,-0.3 -0.846 14.2-168.9-135.8 166.8 17.2 27.4 37.6 51 53 A F E -g 87 0C 0 35,-0.6 37,-2.1 -2,-0.3 2,-0.3 -0.998 25.4-131.1-154.9 154.2 16.6 25.3 40.8 52 54 A H E >> -g 88 0C 16 -2,-0.3 3,-1.7 35,-0.2 4,-1.2 -0.781 43.9-110.8 -89.2 150.4 16.6 25.1 44.5 53 55 A D H >> S+ 0 0 14 35,-1.4 4,-2.7 -2,-0.3 3,-0.9 0.906 119.8 52.7 -45.4 -50.2 18.3 21.8 45.8 54 56 A D H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.628 100.2 60.3 -67.1 -18.2 14.9 20.5 47.0 55 57 A D H <4 S+ 0 0 52 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.822 117.2 31.3 -75.7 -34.3 13.2 21.1 43.5 56 58 A L H << S+ 0 0 7 -4,-1.2 -2,-0.2 -3,-0.9 -3,-0.1 0.867 128.3 33.6 -91.4 -45.0 15.7 18.7 41.9 57 59 A I S < S- 0 0 16 -4,-2.7 -1,-0.3 -5,-0.2 4,-0.1 -0.944 88.8-121.8-121.2 112.2 16.5 16.2 44.7 58 60 A P > - 0 0 66 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 -0.122 42.7 -92.0 -50.6 134.4 13.6 15.4 47.1 59 61 A F T 3 S+ 0 0 96 1,-0.3 -5,-0.0 -5,-0.3 -6,-0.0 -0.276 112.2 23.6 -50.4 134.9 14.6 16.2 50.7 60 62 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.586 85.6 159.1 81.1 16.1 16.1 13.2 52.5 61 63 A S < - 0 0 21 -3,-1.4 -1,-0.2 -4,-0.1 2,-0.1 -0.434 40.9-118.7 -71.1 143.8 17.3 11.4 49.3 62 64 A S > - 0 0 51 -2,-0.1 4,-2.8 1,-0.1 5,-0.1 -0.373 30.6-105.0 -74.4 163.7 20.0 8.8 49.5 63 65 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.796 123.4 54.8 -59.3 -31.4 23.3 9.4 47.6 64 66 A S H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 109.7 43.7 -65.6 -52.9 22.0 6.8 45.1 65 67 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.884 111.5 56.9 -61.6 -39.8 18.7 8.6 44.5 66 68 A R H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.945 106.8 47.2 -57.3 -53.1 20.6 11.9 44.3 67 69 A E H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.869 111.2 51.9 -58.1 -40.5 22.9 10.7 41.5 68 70 A E H X S+ 0 0 48 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.868 108.8 50.7 -62.0 -43.3 19.9 9.3 39.5 69 71 A H H X S+ 0 0 58 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.916 112.5 46.4 -63.9 -43.4 18.1 12.7 39.8 70 72 A V H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.895 109.5 53.1 -63.3 -50.3 21.1 14.6 38.5 71 73 A K H X S+ 0 0 106 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 108.9 49.0 -56.3 -46.3 21.8 12.3 35.6 72 74 A R H X S+ 0 0 111 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.895 112.9 48.5 -59.2 -40.7 18.3 12.5 34.3 73 75 A F H X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.949 109.6 51.7 -65.6 -48.3 18.4 16.3 34.5 74 76 A R H X S+ 0 0 95 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.848 107.0 54.4 -57.3 -38.6 21.8 16.5 32.8 75 77 A Q H X S+ 0 0 105 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 106.8 50.8 -63.4 -42.3 20.4 14.3 29.9 76 78 A A H X S+ 0 0 1 -4,-1.8 4,-1.4 -3,-0.2 6,-0.3 0.873 109.2 50.9 -61.3 -43.4 17.5 16.8 29.4 77 79 A L H X>S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 5,-0.6 0.906 111.8 47.7 -59.7 -44.8 19.9 19.7 29.3 78 80 A D H <5S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.5 51.4 -64.7 -39.6 22.0 17.9 26.7 79 81 A D H <5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.722 123.3 28.7 -64.2 -35.5 19.0 17.0 24.6 80 82 A T H <5S- 0 0 43 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.616 97.4-124.2-104.9 -21.0 17.6 20.6 24.5 81 83 A G T <5 + 0 0 48 -4,-2.5 -3,-0.2 1,-0.3 -4,-0.1 0.575 56.4 153.2 82.5 14.9 20.7 22.8 24.8 82 84 A M < - 0 0 10 -5,-0.6 -1,-0.3 -6,-0.3 -34,-0.3 -0.444 31.2-145.4 -74.7 148.3 19.3 24.5 27.8 83 85 A K B -c 48 0A 119 -36,-1.9 -34,-2.1 -2,-0.1 45,-0.1 -0.672 9.9-137.5-106.9 170.4 21.7 26.1 30.3 84 86 A V + 0 0 6 43,-0.4 -34,-0.1 -2,-0.2 -36,-0.1 -0.820 28.3 166.2-128.0 91.6 21.7 26.5 34.2 85 87 A P + 0 0 2 0, 0.0 45,-1.8 0, 0.0 46,-1.6 0.653 64.2 22.7 -84.2 -14.7 23.0 30.0 35.0 86 88 A M E + h 0 131C 2 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.991 56.6 179.0-151.2 151.3 21.9 30.1 38.6 87 89 A A E -gh 51 132C 0 44,-1.4 46,-2.1 -2,-0.3 2,-0.3 -0.924 7.6-175.7-143.7 167.3 21.0 27.8 41.5 88 90 A T E -gh 52 133C 5 -37,-2.1 -35,-1.4 -2,-0.3 2,-0.4 -0.912 23.8-103.4-156.7 173.7 19.9 28.3 45.2 89 91 A T - 0 0 10 44,-0.6 2,-1.0 -2,-0.3 46,-0.4 -0.911 21.0-128.4-109.5 142.2 19.1 26.5 48.4 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.779 41.9 153.8 -85.9 103.9 15.8 25.8 50.0 91 93 A L + 0 0 17 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.134 65.2 54.7-117.0 38.3 16.2 27.1 53.6 92 94 A F S S+ 0 0 36 45,-0.1 -1,-0.1 9,-0.0 8,-0.1 0.635 87.3 62.9-140.2 -28.2 12.5 27.8 54.2 93 95 A T S S+ 0 0 95 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.919 82.2 78.3 -74.9 -53.6 10.1 24.8 53.6 94 96 A H S > S- 0 0 70 -4,-0.2 3,-2.5 1,-0.1 4,-0.0 -0.404 84.4-122.2 -60.8 142.0 11.1 22.2 56.2 95 97 A P G > S+ 0 0 90 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.738 106.6 72.6 -52.2 -31.6 9.9 22.7 59.7 96 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.804 95.0 55.2 -55.6 -29.4 13.5 22.8 61.1 97 99 A F G X S+ 0 0 0 -3,-2.5 3,-1.8 1,-0.2 -1,-0.3 0.171 70.5 118.4 -89.2 17.2 13.8 26.2 59.4 98 100 A K T < S+ 0 0 152 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.729 85.7 33.6 -56.5 -30.2 10.8 27.6 61.2 99 101 A D T 3 S- 0 0 34 1,-0.4 41,-0.4 -3,-0.4 -1,-0.3 0.235 130.3 -81.0-107.0 9.4 12.9 30.3 63.0 100 102 A G < - 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0 0 21 -4,-1.1 4,-2.3 -3,-0.7 3,-0.7 -0.513 63.3-146.4 -72.1 124.8 12.5 59.2 18.3 322 324 A P H 3> S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.849 100.0 55.8 -55.2 -39.3 13.9 62.7 17.4 323 325 A E H 3> S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.821 108.2 47.7 -66.0 -31.5 11.0 64.4 19.1 324 326 A V H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.877 108.4 54.4 -73.0 -42.5 11.7 62.5 22.4 325 327 A Q H X S+ 0 0 79 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.924 110.0 48.5 -59.3 -38.5 15.4 63.4 22.1 326 328 A E H X S+ 0 0 116 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 109.6 51.0 -64.8 -42.5 14.3 67.1 21.8 327 329 A A H X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.838 106.1 55.4 -63.5 -38.6 12.0 66.8 24.8 328 330 A L H <>S+ 0 0 33 -4,-2.4 5,-2.5 2,-0.2 6,-0.4 0.899 109.9 46.5 -63.0 -39.8 14.8 65.3 26.9 329 331 A R H ><5S+ 0 0 126 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.901 109.4 54.9 -65.4 -40.3 16.9 68.4 26.1 330 332 A A H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 109.5 47.2 -60.2 -31.3 13.8 70.6 26.9 331 333 A S T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.322 115.7-116.9 -96.1 6.2 13.6 68.9 30.4 332 334 A R T <>5 + 0 0 55 -3,-1.3 4,-1.6 -4,-0.2 -3,-0.2 0.742 65.9 144.3 62.7 29.3 17.4 69.3 31.0 333 335 A L H >4 S+ 0 0 64 -6,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.893 103.9 50.2 -61.9 -44.8 21.5 66.7 29.4 335 337 A E H >4 S+ 0 0 109 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.799 101.2 62.1 -65.2 -29.5 22.3 69.1 32.3 336 338 A L H 3< S+ 0 0 145 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.890 100.9 55.3 -66.4 -25.0 21.7 66.4 34.9 337 339 A A T << S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.477 92.0 87.7 -86.7 -6.6 24.6 64.4 33.4 338 340 A R S < S- 0 0 134 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.769 90.5-100.0 -95.0 142.8 27.2 67.2 33.7 339 341 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.232 21.5-139.0 -56.9 142.3 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 0.845 93.4 7.0 -67.4 -43.1 27.9 70.4 39.3 341 343 A A > + 0 0 36 1,-0.1 3,-1.4 2,-0.0 -1,-0.2 -0.455 62.7 150.9-149.0 71.7 31.4 71.7 40.1 342 344 A A T 3 S+ 0 0 90 -3,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.793 77.7 70.5 -72.0 -21.2 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 0.650 109.2-126.3 -65.7 -21.8 35.9 73.7 38.7 344 346 A G <> - 0 0 28 -3,-1.4 4,-2.4 1,-0.1 -1,-0.2 -0.109 25.8 -60.0 94.5 172.0 36.2 72.6 42.3 345 347 A L H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 128.3 47.7 -53.7 -56.7 35.4 73.8 45.8 346 348 A Q H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 111.6 49.8 -54.8 -49.1 37.3 77.0 45.8 347 349 A A H > S+ 0 0 43 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.920 111.9 50.1 -58.8 -40.8 36.0 78.1 42.3 348 350 A L H >< S+ 0 0 75 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.918 109.4 50.3 -60.6 -48.9 32.4 77.3 43.6 349 351 A L H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 114.2 45.0 -58.9 -31.6 33.0 79.4 46.8 350 352 A D H 3< S+ 0 0 120 -4,-1.9 2,-1.1 -5,-0.2 -1,-0.2 0.542 86.7 105.4 -93.4 -6.8 34.3 82.4 44.7 351 353 A D X< - 0 0 61 -4,-1.0 3,-1.8 -3,-0.6 5,-0.2 -0.604 47.3-172.4 -82.0 102.4 31.5 82.2 42.0 352 354 A R G > >S+ 0 0 136 -2,-1.1 5,-3.5 1,-0.3 3,-1.3 0.723 82.6 66.5 -62.7 -25.7 29.1 85.1 42.6 353 355 A S G 3 5S+ 0 0 69 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.640 95.0 60.7 -72.4 -12.3 26.7 83.7 39.9 354 356 A A G < 5S- 0 0 46 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.468 132.5 -19.4 -89.6 -9.5 26.1 80.7 42.2 355 357 A F T X 5S+ 0 0 179 -3,-1.3 3,-0.8 -4,-0.2 5,-0.1 0.206 128.7 52.3-155.5 -69.9 24.7 82.8 45.2 356 358 A E T 3 5S+ 0 0 103 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.904 128.1 22.5 -53.4 -46.5 25.3 86.5 45.5 357 359 A E T 3 + 0 0 100 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.719 25.5 178.6 -90.0 93.3 18.5 85.1 40.0 360 362 A V H > S+ 0 0 93 -2,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.772 76.5 53.5 -63.1 -37.1 16.3 82.7 42.1 361 363 A D H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 108.2 48.5 -68.6 -40.8 13.0 84.0 40.7 362 364 A A H > S+ 0 0 53 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.913 114.5 46.9 -64.2 -43.6 14.0 83.5 37.0 363 365 A A H >< S+ 0 0 23 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.914 110.7 52.7 -64.7 -42.8 15.3 80.0 37.8 364 366 A A H 3< S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 103.3 58.3 -62.5 -33.0 12.1 79.2 39.7 365 367 A A H 3< S+ 0 0 84 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.3 0.671 79.1 105.5 -73.2 -15.6 9.9 80.3 36.8 366 368 A R << - 0 0 151 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.0 -0.503 69.0-136.2 -71.7 118.6 11.4 77.8 34.3 367 369 A G - 0 0 59 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.470 2.8-140.6 -74.3 150.3 8.9 74.9 33.7 368 370 A M - 0 0 80 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.669 21.6-141.5 -83.1 -15.1 10.4 71.4 33.7 369 371 A A > + 0 0 51 1,-0.1 4,-1.5 3,-0.1 -38,-0.1 0.724 53.0 141.2 53.0 35.7 8.2 70.2 30.7 370 372 A F H > + 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.801 61.2 56.8 -72.6 -33.8 7.9 66.8 32.4 371 373 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 106.1 49.2 -72.5 -33.6 4.3 66.2 31.5 372 374 A R H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 113.0 48.6 -67.8 -43.4 4.9 66.6 27.8 373 375 A L H X S+ 0 0 24 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.951 111.3 49.5 -58.5 -45.7 7.8 64.1 28.1 374 376 A D H X S+ 0 0 49 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.811 108.2 53.6 -63.8 -35.7 5.6 61.7 30.1 375 377 A Q H X S+ 0 0 101 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.878 106.6 51.7 -69.5 -36.6 2.8 61.9 27.4 376 378 A L H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 109.5 51.3 -63.7 -34.5 5.3 61.0 24.7 377 379 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 111.2 46.8 -64.0 -45.6 6.3 58.0 26.8 378 380 A M H X S+ 0 0 49 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 110.9 51.8 -63.5 -48.2 2.6 57.0 27.2 379 381 A D H X>S+ 0 0 43 -4,-2.9 5,-3.1 1,-0.2 4,-0.7 0.887 112.2 47.2 -54.7 -45.7 2.1 57.4 23.4 380 382 A H H ><5S+ 0 0 20 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.916 110.3 50.3 -61.8 -48.4 5.1 55.2 22.7 381 383 A L H 3<5S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 115.1 45.2 -57.2 -41.2 4.1 52.5 25.2 382 384 A L H 3<5S- 0 0 117 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.533 109.1-120.7 -84.8 -5.8 0.6 52.4 23.6 383 385 A G T <<5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.873 74.4 129.2 69.3 36.8 1.7 52.4 19.9 384 386 A A < 0 0 62 -5,-3.1 -4,-0.2 -6,-0.2 -5,-0.1 0.004 360.0 360.0-112.1 26.2 -0.2 55.6 19.5 385 387 A R 0 0 131 -6,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.980 360.0 360.0 -76.4 360.0 2.4 57.8 17.8