==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAR-02 1GW9 . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR G.EVANS,G.BRICOGNE . 384 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 70.1 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 38.3 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 2 0 0 0 0 1 0 1 1 0 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 98 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 54.3 38.6 38.4 83.5 2 4 A Q - 0 0 146 307,-0.1 43,-0.1 1,-0.1 42,-0.0 -0.781 360.0-114.3 -96.4 130.3 37.0 34.9 83.5 3 5 A P - 0 0 24 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.277 29.5-166.6 -65.2 149.4 34.2 34.1 81.0 4 6 A T > - 0 0 53 1,-0.0 3,-1.5 0, 0.0 5,-0.4 -0.844 37.0-106.3-127.0 165.4 30.7 33.4 82.2 5 7 A P G > S+ 0 0 70 0, 0.0 3,-1.9 0, 0.0 42,-0.1 0.858 118.3 64.5 -61.6 -34.7 27.7 31.9 80.2 6 8 A E G 3 S+ 0 0 140 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.644 88.4 70.2 -62.6 -17.0 26.1 35.4 80.1 7 9 A D G < S- 0 0 19 -3,-1.5 -1,-0.3 2,-0.1 275,-0.2 0.711 92.1-148.6 -75.9 -17.5 29.1 36.5 78.0 8 10 A R < + 0 0 99 -3,-1.9 274,-3.0 -4,-0.3 2,-0.4 0.838 26.2 177.1 54.6 41.1 27.8 34.3 75.1 9 11 A F E +a 282 0A 1 -5,-0.4 38,-3.2 36,-0.3 39,-1.7 -0.623 2.9 175.0 -78.4 128.2 31.3 33.6 73.8 10 12 A T E -ab 283 48A 4 272,-2.3 274,-2.6 -2,-0.4 2,-0.3 -0.904 14.2-163.5-133.4 163.3 31.1 31.2 70.9 11 13 A F E -ab 284 49A 0 37,-1.3 39,-1.9 -2,-0.3 2,-0.2 -0.999 23.4-114.9-145.8 146.7 33.6 29.7 68.4 12 14 A G E >> - b 0 50A 0 272,-1.2 3,-1.9 -2,-0.3 4,-0.8 -0.493 23.5-127.4 -80.3 146.3 33.5 27.9 65.1 13 15 A L H 3> S+ 0 0 10 37,-2.4 4,-1.2 1,-0.3 -1,-0.1 0.858 112.3 58.6 -56.1 -33.6 34.7 24.3 65.0 14 16 A W H 34 S+ 0 0 38 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.473 97.3 62.5 -76.0 -5.2 36.9 25.4 62.1 15 17 A T H X4 S+ 0 0 0 -3,-1.9 3,-1.9 2,-0.2 -2,-0.2 0.933 116.5 22.4 -84.1 -74.4 38.7 28.0 64.3 16 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.773 125.4 58.6 -63.1 -22.2 40.4 26.0 67.0 17 19 A G T 3< S+ 0 0 19 -4,-1.2 15,-0.4 -5,-0.4 -1,-0.3 0.482 74.0 126.3 -86.0 -0.0 40.2 23.0 64.6 18 20 A W < - 0 0 55 -3,-1.9 -3,-0.1 1,-0.1 -4,-0.0 -0.396 51.7-152.8 -62.3 123.7 42.3 24.8 61.9 19 21 A Q - 0 0 50 -2,-0.2 9,-2.1 9,-0.1 10,-2.1 0.548 38.4-108.0 -80.4 -4.7 45.1 22.5 60.9 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.491 63.2 150.9 92.7 11.1 47.5 25.3 59.8 21 23 A R + 0 0 141 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.523 16.5 169.9 -74.9 135.6 47.5 24.7 56.0 22 24 A D B > -F 25 0B 67 3,-1.7 3,-1.4 -2,-0.3 5,-0.0 -0.711 53.1 -81.6-133.5-179.5 48.1 28.0 54.2 23 25 A P T 3 S+ 0 0 116 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.752 131.2 29.7 -59.4 -19.5 48.8 28.8 50.4 24 26 A F T 3 S+ 0 0 195 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.162 116.7 59.2-123.2 14.2 52.5 27.9 51.0 25 27 A G B < -F 22 0B 16 -3,-1.4 -3,-1.7 0, 0.0 3,-0.1 -0.997 64.6-125.8-155.3 147.6 52.4 25.3 53.7 26 28 A D - 0 0 135 -2,-0.3 -4,-0.1 -5,-0.2 -2,-0.1 -0.251 57.4 -65.5 -78.8 170.0 51.2 21.9 54.9 27 29 A A - 0 0 36 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.310 37.0-170.4 -59.2 142.6 49.3 21.3 58.1 28 30 A T S S+ 0 0 61 -9,-2.1 2,-0.3 1,-0.1 -8,-0.2 0.472 71.6 46.2-109.0 -7.3 51.2 21.9 61.3 29 31 A R S S- 0 0 13 -10,-2.1 -1,-0.1 264,-0.1 -8,-0.1 -0.982 84.2-111.8-134.8 149.4 48.5 20.3 63.6 30 32 A R - 0 0 132 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.363 49.1 -88.6 -69.8 156.8 46.5 17.1 63.5 31 33 A A - 0 0 60 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.276 42.0-131.8 -63.6 149.0 42.7 17.3 62.9 32 34 A L - 0 0 20 -15,-0.4 -1,-0.1 -19,-0.1 -15,-0.0 -0.860 12.5-123.2-103.2 141.3 40.6 17.7 66.0 33 35 A D >> - 0 0 65 -2,-0.4 4,-2.0 1,-0.2 3,-0.8 -0.654 23.3-129.3 -76.3 133.6 37.5 15.6 66.7 34 36 A P H 3> S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 108.7 63.0 -52.5 -32.4 34.6 18.1 67.2 35 37 A V H 3> S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.936 104.5 45.6 -59.4 -45.2 33.8 16.3 70.5 36 38 A E H <> S+ 0 0 69 -3,-0.8 4,-3.1 1,-0.2 5,-0.3 0.909 111.7 51.8 -65.5 -41.7 37.3 17.3 71.9 37 39 A S H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.920 109.1 49.5 -63.0 -42.3 36.9 20.9 70.7 38 40 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.935 112.9 48.0 -61.4 -44.0 33.5 21.2 72.4 39 41 A Q H X S+ 0 0 100 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.945 115.4 44.0 -61.1 -48.1 34.9 19.8 75.6 40 42 A R H X S+ 0 0 80 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.905 113.6 49.3 -66.8 -40.8 38.0 22.1 75.5 41 43 A L H X>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.3 4,-0.7 0.915 110.5 50.8 -63.1 -42.7 36.0 25.2 74.6 42 44 A A H ><5S+ 0 0 29 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.921 107.6 53.8 -62.4 -40.1 33.5 24.5 77.4 43 45 A E H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.2 53.6 -63.0 -34.6 36.4 24.1 79.9 44 46 A L H 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.622 126.4 -99.8 -72.3 -16.4 37.7 27.6 78.8 45 47 A G T <<5S+ 0 0 21 -3,-1.2 -36,-0.3 -4,-0.7 -3,-0.2 0.523 71.0 148.0 111.3 3.4 34.4 29.2 79.5 46 48 A A < - 0 0 9 -5,-2.4 -1,-0.3 -6,-0.2 -36,-0.2 -0.425 34.5-156.9 -66.4 156.8 32.9 29.4 76.0 47 49 A H + 0 0 58 -38,-3.2 36,-2.2 1,-0.2 2,-0.3 0.617 64.6 12.4-109.2 -16.5 29.1 29.0 75.9 48 50 A G E -bc 10 83A 0 -39,-1.7 -37,-1.3 34,-0.2 2,-0.3 -0.966 54.0-147.0-158.2 169.1 28.5 27.8 72.3 49 51 A V E -b 11 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.945 11.3-156.3-139.4 152.4 30.0 26.5 69.1 50 52 A T E -b 12 0A 0 -39,-1.9 -37,-2.4 -2,-0.3 2,-0.3 -0.841 12.2-167.5-127.8 167.3 29.1 26.9 65.4 51 53 A F E -g 87 0C 0 35,-0.7 37,-2.2 -2,-0.3 2,-0.3 -0.998 25.1-130.8-153.9 154.4 29.8 24.8 62.3 52 54 A H E >> -g 88 0C 16 -2,-0.3 3,-1.8 35,-0.2 4,-1.4 -0.802 44.1-110.9 -90.5 155.3 29.8 24.4 58.6 53 55 A D H >> S+ 0 0 12 35,-1.3 4,-2.6 -2,-0.3 3,-0.7 0.922 119.7 50.1 -48.5 -49.3 28.1 21.2 57.3 54 56 A D H 34 S+ 0 0 41 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.574 102.5 59.5 -74.8 -6.4 31.4 19.8 56.3 55 57 A D H <4 S+ 0 0 49 -3,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.776 115.8 35.1 -82.7 -35.6 33.2 20.5 59.6 56 58 A L H << S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.1 0.830 129.6 28.6 -87.5 -41.2 30.7 18.3 61.5 57 59 A I S < S- 0 0 8 -4,-2.6 -1,-0.3 -5,-0.3 4,-0.1 -0.980 91.9-116.2-124.6 115.8 30.0 15.6 58.9 58 60 A P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 -3,-0.1 -0.258 44.0 -94.0 -51.4 134.1 32.9 14.8 56.4 59 61 A F T 3 S+ 0 0 99 -5,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.176 112.2 24.6 -48.4 134.9 31.9 15.6 52.8 60 62 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.688 86.5 160.8 78.9 18.9 30.5 12.5 51.0 61 63 A S < - 0 0 22 -3,-1.2 -1,-0.2 -4,-0.1 2,-0.1 -0.460 39.1-120.4 -72.0 147.7 29.4 10.8 54.2 62 64 A S > - 0 0 52 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.310 32.2-103.6 -77.2 165.4 26.8 8.0 54.1 63 65 A D H > S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 122.8 52.0 -63.9 -36.6 23.6 8.4 56.1 64 66 A S H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.6 45.9 -65.9 -40.0 24.8 6.1 58.8 65 67 A E H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.915 111.3 53.5 -67.4 -40.8 28.1 8.0 59.2 66 68 A R H X S+ 0 0 45 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.956 109.8 47.4 -58.0 -50.5 26.2 11.3 59.2 67 69 A E H X S+ 0 0 144 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.901 112.2 50.1 -61.2 -38.9 23.9 10.1 62.0 68 70 A E H X S+ 0 0 96 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 109.6 49.4 -65.7 -44.6 26.9 8.9 64.0 69 71 A H H X S+ 0 0 68 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.928 114.6 45.7 -59.7 -42.9 28.8 12.2 63.6 70 72 A V H X S+ 0 0 24 -4,-2.5 4,-3.4 -5,-0.2 5,-0.2 0.920 110.0 54.9 -67.8 -41.7 25.8 14.1 64.8 71 73 A K H X S+ 0 0 140 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.938 110.5 44.5 -57.6 -48.8 25.1 11.7 67.6 72 74 A R H X S+ 0 0 95 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.896 114.0 49.7 -64.6 -38.7 28.6 12.1 69.1 73 75 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.950 109.9 50.8 -64.6 -44.2 28.4 15.9 68.6 74 76 A R H X S+ 0 0 103 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.877 108.7 53.6 -60.1 -39.7 25.0 16.0 70.4 75 77 A Q H X S+ 0 0 104 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.885 108.1 49.2 -62.7 -41.3 26.5 14.0 73.3 76 78 A A H X S+ 0 0 1 -4,-2.0 4,-1.1 2,-0.2 6,-0.3 0.899 110.5 49.5 -66.8 -38.6 29.3 16.4 73.7 77 79 A L H X>S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 5,-0.7 0.914 114.0 47.1 -61.7 -46.4 26.9 19.4 73.7 78 80 A D H <5S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 110.3 52.1 -63.7 -37.8 24.8 17.6 76.3 79 81 A D H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.718 122.6 30.0 -67.2 -28.2 27.9 16.7 78.4 80 82 A T H <5S- 0 0 43 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.625 99.2-120.1-109.6 -21.4 29.0 20.3 78.5 81 83 A G T <5 + 0 0 36 -4,-2.3 -3,-0.2 1,-0.3 -4,-0.1 0.567 57.6 157.6 86.4 7.9 26.0 22.5 78.3 82 84 A M < - 0 0 6 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.2 -0.400 29.8-144.4 -74.3 146.0 27.2 24.1 75.1 83 85 A K B -c 48 0A 119 -36,-2.2 -34,-2.4 -2,-0.1 45,-0.1 -0.628 8.7-143.7-102.5 163.2 24.8 25.7 72.7 84 86 A V + 0 0 6 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.831 29.1 164.8-127.2 86.7 24.8 25.9 68.8 85 87 A P + 0 0 21 0, 0.0 45,-1.9 0, 0.0 46,-1.6 0.663 63.0 21.4 -80.2 -19.2 23.5 29.4 68.0 86 88 A M E + h 0 131C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.995 57.4 179.3-151.5 149.6 24.6 29.5 64.4 87 89 A A E -gh 51 132C 0 44,-1.5 46,-2.5 -2,-0.3 2,-0.3 -0.931 6.6-172.9-144.2 170.2 25.6 27.3 61.5 88 90 A T E -gh 52 133C 5 -37,-2.2 -35,-1.3 -2,-0.3 2,-0.4 -0.921 24.6-105.3-157.9 170.3 26.6 27.8 57.9 89 91 A T - 0 0 10 44,-0.7 2,-1.1 -2,-0.3 46,-0.3 -0.889 23.8-126.1-107.9 142.3 27.3 25.8 54.7 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 -38,-0.0 -0.768 44.1 155.1 -84.7 104.1 30.7 25.1 53.2 91 93 A L + 0 0 18 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.195 65.2 54.4-116.4 35.4 30.3 26.5 49.6 92 94 A F S S+ 0 0 38 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.599 88.6 62.4-136.9 -28.9 34.0 27.2 49.1 93 95 A T S S+ 0 0 94 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.933 82.2 78.8 -74.3 -51.1 36.3 24.1 49.7 94 96 A H S > S- 0 0 67 -4,-0.2 3,-2.2 1,-0.1 4,-0.0 -0.376 83.8-124.3 -62.9 140.4 35.2 21.6 47.1 95 97 A P G > S+ 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.771 105.5 74.2 -56.9 -23.9 36.5 22.2 43.6 96 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.5 2,-0.1 -2,-0.0 0.823 94.6 54.2 -59.3 -24.6 32.9 22.2 42.2 97 99 A F G X + 0 0 0 -3,-2.2 3,-1.9 1,-0.2 -1,-0.3 0.179 69.9 120.0 -95.4 19.3 32.6 25.7 43.8 98 100 A K T < S+ 0 0 149 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.749 85.6 32.5 -56.7 -27.0 35.6 27.1 42.1 99 101 A D T 3 S- 0 0 32 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.278 131.8 -75.5-112.1 15.8 33.5 29.8 40.4 100 102 A G < - 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0 0 0 -35,-2.4 29,-0.2 -2,-0.3 26,-0.1 -0.720 28.4-169.2-124.6 78.0 27.3 38.9 60.1 214 216 A P - 0 0 0 0, 0.0 29,-2.7 0, 0.0 2,-0.4 -0.364 8.1-148.5 -72.8 151.0 30.2 41.5 59.8 215 217 A E B > -d 243 0A 0 -35,-0.3 4,-1.9 27,-0.2 3,-0.4 -0.968 13.5-133.5-124.7 132.8 33.7 40.3 60.6 216 218 A V H > S+ 0 0 8 27,-2.0 4,-1.8 -2,-0.4 -1,-0.1 0.911 105.3 44.3 -46.5 -58.4 36.4 42.6 62.1 217 219 A G H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.798 108.0 60.4 -62.7 -30.2 39.2 41.6 59.7 218 220 A H H 4 S+ 0 0 3 -3,-0.4 4,-0.4 2,-0.2 3,-0.4 0.942 107.7 40.7 -67.1 -49.8 37.0 41.7 56.6 219 221 A E H ><>S+ 0 0 6 -4,-1.9 5,-2.0 1,-0.2 3,-1.5 0.899 114.1 56.0 -64.7 -35.4 36.0 45.3 56.8 220 222 A Q H ><5S+ 0 0 15 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.785 94.2 66.5 -66.9 -26.2 39.6 46.0 57.8 221 223 A M T 3<5S+ 0 0 4 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.603 103.6 47.2 -65.5 -16.6 40.9 44.3 54.6 222 224 A A T < 5S- 0 0 42 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.214 120.6-114.4-101.3 7.1 39.2 47.2 52.8 223 225 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.673 69.8 146.2 68.6 15.2 40.8 49.7 55.2 224 226 A L < - 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0 0 39 -4,-0.9 4,-2.7 -3,-0.9 3,-0.9 -0.567 64.4-146.7 -71.7 119.1 33.8 58.4 84.4 322 324 A P H 3> S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.822 100.5 56.0 -54.9 -31.4 32.3 61.8 85.3 323 325 A E H 3> S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 109.5 45.9 -69.3 -34.6 35.4 63.5 83.7 324 326 A V H <> S+ 0 0 0 -3,-0.9 4,-2.8 -6,-0.2 5,-0.2 0.895 110.5 53.4 -72.5 -42.8 34.7 61.7 80.4 325 327 A Q H X S+ 0 0 83 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.932 110.2 47.7 -60.3 -38.2 31.0 62.6 80.7 326 328 A E H X S+ 0 0 108 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.927 111.3 50.7 -66.7 -39.3 32.0 66.3 81.0 327 329 A A H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.866 105.9 55.5 -67.1 -37.1 34.4 65.9 78.1 328 330 A L H <>S+ 0 0 30 -4,-2.8 5,-2.4 1,-0.2 6,-0.5 0.904 110.6 45.5 -61.3 -41.1 31.7 64.4 75.9 329 331 A R H ><5S+ 0 0 141 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.904 108.8 55.4 -67.6 -39.1 29.6 67.5 76.7 330 332 A A H 3<5S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.2 47.0 -60.1 -30.6 32.6 69.8 76.0 331 333 A S T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 38,-0.1 -2,-0.2 0.279 116.0-118.1 -93.1 2.9 32.9 68.1 72.5 332 334 A R T <>5 + 0 0 54 -3,-1.5 4,-2.0 -5,-0.1 -3,-0.2 0.732 66.1 143.4 66.6 28.8 29.1 68.5 71.9 333 335 A L H >4 S+ 0 0 108 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.864 102.6 62.3 -71.1 -28.8 24.1 68.2 70.7 336 338 A L H 3< S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.864 102.2 53.0 -62.0 -32.2 24.9 65.5 68.0 337 339 A A T 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.490 93.6 88.9 -82.4 -4.0 22.0 63.5 69.5 338 340 A R S < S- 0 0 133 -3,-1.6 -3,-0.0 -4,-0.2 -4,-0.0 -0.795 90.5 -98.7 -97.5 139.2 19.5 66.4 69.3 339 341 A P - 0 0 106 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.104 23.2-138.8 -56.5 141.9 17.4 66.9 66.2 340 342 A T S S+ 0 0 143 1,-0.2 3,-0.1 -4,-0.1 -3,-0.0 0.888 92.9 4.1 -66.9 -37.5 18.7 69.5 63.8 341 343 A A > + 0 0 32 1,-0.1 3,-1.9 2,-0.0 -1,-0.2 -0.391 63.4 152.3-152.3 64.2 15.3 71.0 63.0 342 344 A A T 3 S+ 0 0 92 -3,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.711 76.5 72.8 -67.5 -19.3 12.4 69.4 65.0 343 345 A D T 3 S- 0 0 93 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.594 110.0-120.3 -65.1 -16.7 10.9 72.9 64.4 344 346 A G <> - 0 0 29 -3,-1.9 4,-2.5 1,-0.1 5,-0.2 0.022 24.9 -67.4 97.0 165.0 10.3 71.9 60.7 345 347 A L H > S+ 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 127.5 47.3 -56.9 -51.0 11.4 73.0 57.3 346 348 A Q H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 111.8 50.8 -63.3 -40.3 9.5 76.3 57.2 347 349 A A H > S+ 0 0 37 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.933 112.3 48.2 -62.4 -41.3 10.7 77.3 60.6 348 350 A L H >< S+ 0 0 68 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.939 109.8 51.7 -61.7 -47.0 14.3 76.5 59.5 349 351 A L H 3< S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.9 42.9 -59.7 -32.0 13.8 78.5 56.3 350 352 A D H 3< S+ 0 0 114 -4,-1.8 2,-1.1 -5,-0.2 -1,-0.2 0.468 87.4 105.9 -95.0 -0.8 12.5 81.5 58.3 351 353 A D X< - 0 0 56 -3,-1.0 3,-2.0 -4,-0.7 4,-0.2 -0.681 48.9-171.0 -84.7 101.9 15.1 81.3 61.0 352 354 A R G > >S+ 0 0 129 -2,-1.1 5,-3.4 1,-0.3 3,-1.4 0.768 83.7 66.0 -63.9 -24.9 17.6 84.1 60.5 353 355 A S G 3 5S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.585 95.8 58.9 -69.9 -15.2 20.0 82.7 63.1 354 356 A A G < 5S- 0 0 42 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.432 132.9 -18.7 -88.6 -7.3 20.5 79.7 60.8 355 357 A F T X 5S+ 0 0 171 -3,-1.4 3,-1.7 -4,-0.2 -3,-0.1 0.177 127.8 49.6-156.3 -78.9 21.8 81.8 57.9 356 358 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.812 128.8 25.3 -53.1 -37.6 21.4 85.5 57.5 357 359 A E T 3 + 0 0 99 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.737 23.6 179.2 -88.1 91.2 28.2 84.2 62.9 360 362 A V H > S+ 0 0 88 -2,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.831 76.8 55.2 -65.8 -29.8 30.2 81.5 61.0 361 363 A D H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 107.6 47.6 -72.1 -42.7 33.5 82.9 62.4 362 364 A A H > S+ 0 0 46 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.927 115.5 46.0 -63.2 -42.3 32.5 82.6 66.0 363 365 A A H >< S+ 0 0 20 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.933 111.4 52.3 -64.3 -44.4 31.2 79.0 65.3 364 366 A A H 3< S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 103.9 58.5 -61.3 -31.0 34.4 78.1 63.4 365 367 A A H 3< S+ 0 0 83 -4,-1.8 2,-0.6 -5,-0.1 -1,-0.3 0.673 80.1 100.9 -75.4 -18.0 36.6 79.3 66.3 366 368 A R S << S- 0 0 145 -3,-1.2 2,-0.0 -4,-0.6 -4,-0.0 -0.555 73.0-134.4 -70.9 117.8 35.1 77.0 68.8 367 369 A G - 0 0 57 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.368 3.1-138.4 -68.4 153.9 37.4 74.0 69.3 368 370 A M - 0 0 79 1,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.626 23.0-143.7 -84.8 -15.3 35.9 70.5 69.3 369 371 A A > + 0 0 48 1,-0.1 4,-1.7 3,-0.1 5,-0.1 0.773 52.1 141.4 57.6 28.2 38.1 69.4 72.2 370 372 A F H > + 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.817 61.6 58.1 -70.2 -29.2 38.3 65.9 70.6 371 373 A E H > S+ 0 0 157 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 106.3 47.4 -70.3 -40.2 42.0 65.4 71.5 372 374 A R H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 113.4 49.7 -64.4 -43.1 41.4 65.8 75.2 373 375 A L H X S+ 0 0 21 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.937 111.8 48.3 -59.4 -43.5 38.5 63.4 74.9 374 376 A D H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.850 107.9 53.0 -70.4 -31.5 40.6 60.9 73.0 375 377 A Q H X S+ 0 0 99 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.882 107.1 53.0 -73.8 -30.1 43.4 61.0 75.5 376 378 A L H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 110.5 49.1 -63.6 -39.1 40.9 60.3 78.3 377 379 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.9 47.4 -63.0 -41.9 39.9 57.2 76.2 378 380 A M H X S+ 0 0 46 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.949 110.8 51.8 -63.6 -44.8 43.5 56.2 75.8 379 381 A D H X>S+ 0 0 54 -4,-3.0 5,-2.8 1,-0.2 4,-1.0 0.919 112.4 46.2 -60.8 -42.0 44.1 56.6 79.5 380 382 A H H <5S+ 0 0 38 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.931 110.9 51.1 -65.6 -43.2 41.1 54.4 80.3 381 383 A L H <5S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.7 39.5 -59.0 -42.8 42.1 51.7 77.7 382 384 A L H <5S- 0 0 111 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.547 109.7-120.7 -85.0 -6.5 45.7 51.5 79.2 383 385 A G T <5 0 0 60 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.933 360.0 360.0 63.9 45.7 44.5 51.8 82.9 384 386 A A < 0 0 96 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.748 360.0 360.0-101.7 360.0 46.6 55.0 83.2