==== 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)05-JUL-89 5XIA . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR K.HENRICK,C.A.COLLYER,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 3 1 0 2 2 2 2 3 1 0 0 0 0 2 0 0 2 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 3 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 . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 0 1 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 2 A V 0 0 96 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 118.4 35.4 65.4 35.0 2 3 A Q - 0 0 72 313,-0.1 2,-0.2 309,-0.0 43,-0.1 -0.986 360.0-131.7-133.6 124.2 33.5 68.6 35.4 3 4 A P - 0 0 30 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.426 24.2-172.5 -73.5 138.0 33.4 71.5 33.0 4 5 A T > - 0 0 71 -2,-0.2 3,-2.9 1,-0.0 4,-0.4 -0.974 42.7-101.6-123.8 152.7 34.1 74.8 34.6 5 6 A P G > S+ 0 0 80 0, 0.0 3,-1.0 0, 0.0 -1,-0.0 0.715 118.8 70.6 -48.3 -22.3 33.7 78.1 32.6 6 7 A A G 3 S+ 0 0 80 1,-0.2 41,-0.0 2,-0.1 0, 0.0 0.642 84.0 68.7 -68.8 -18.0 37.6 78.1 32.2 7 8 A D G < S- 0 0 34 -3,-2.9 -1,-0.2 38,-0.2 281,-0.1 0.705 100.3-137.9 -74.3 -27.7 37.3 75.2 29.8 8 9 A H < + 0 0 61 -3,-1.0 280,-2.2 -4,-0.4 2,-0.4 0.744 35.8 170.3 67.9 36.2 35.6 77.6 27.3 9 10 A F E -a 288 0A 2 36,-0.3 38,-3.1 -5,-0.3 39,-1.5 -0.623 7.9-178.0 -79.4 118.4 32.9 75.2 26.1 10 11 A T E -ab 289 48A 0 278,-1.7 280,-2.0 -2,-0.4 2,-0.3 -0.822 8.2-164.7-119.7 150.6 30.4 77.2 23.9 11 12 A F E -ab 290 49A 0 37,-1.0 39,-1.9 -2,-0.3 2,-0.2 -0.992 19.6-122.5-139.0 142.7 27.2 75.8 22.3 12 13 A G E >> - b 0 50A 0 278,-1.0 3,-1.5 -2,-0.3 4,-0.8 -0.605 20.8-125.1 -86.2 151.5 25.1 77.3 19.5 13 14 A L H 3> S+ 0 0 9 37,-3.0 4,-2.0 1,-0.3 38,-0.1 0.887 111.9 56.9 -60.2 -35.9 21.3 78.0 20.2 14 15 A W H 34 S+ 0 0 38 36,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.573 98.5 65.1 -70.3 -13.0 20.4 75.8 17.1 15 16 A T H X4 S+ 0 0 0 -3,-1.5 3,-2.2 2,-0.2 -2,-0.2 0.929 117.2 20.1 -75.5 -73.9 22.4 72.8 18.6 16 17 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.823 126.0 59.3 -63.6 -27.5 20.3 72.0 21.7 17 18 A G T 3< S+ 0 0 16 -4,-2.0 2,-0.5 -5,-0.3 15,-0.4 0.421 74.4 123.3 -79.0 -0.7 17.4 73.9 20.0 18 19 A W < - 0 0 58 -3,-2.2 -3,-0.1 -4,-0.2 -4,-0.1 -0.482 48.6-161.3 -68.8 118.4 17.5 71.5 16.9 19 20 A T - 0 0 28 -2,-0.5 10,-1.7 8,-0.1 9,-1.3 0.475 35.9-101.7 -86.2 -10.5 14.0 70.2 16.8 20 21 A G + 0 0 0 1,-0.4 276,-0.1 7,-0.3 2,-0.1 0.172 66.6 140.3 108.3 -18.3 14.2 67.1 14.8 21 22 A A + 0 0 49 8,-0.1 -1,-0.4 2,-0.1 5,-0.2 -0.376 22.3 163.1 -67.8 135.5 13.0 67.8 11.3 22 23 A D B > -F 25 0B 69 3,-1.8 3,-1.3 -2,-0.1 5,-0.0 -0.757 57.2 -72.9-137.8-175.9 15.2 66.0 8.7 23 24 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.644 130.3 33.3 -60.9 -24.9 14.7 65.2 5.0 24 25 A F T 3 S+ 0 0 202 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.127 119.7 39.6-118.2 16.6 12.1 62.3 5.7 25 26 A G B < -F 22 0B 27 -3,-1.3 -3,-1.8 -5,-0.0 2,-0.1 -0.998 67.6-112.8-164.7 161.5 10.4 63.6 8.8 26 27 A V - 0 0 120 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.409 57.6 -68.7 -87.9 169.2 8.9 66.4 10.9 27 28 A A - 0 0 41 1,-0.1 -7,-0.3 -2,-0.1 -1,-0.2 -0.275 33.6-165.5 -54.9 142.7 10.2 67.7 14.2 28 29 A T S S+ 0 0 49 -9,-1.3 2,-0.3 270,-0.1 -8,-0.2 0.315 71.2 55.7-109.1 -6.9 10.0 65.3 17.3 29 30 A R S S- 0 0 17 -10,-1.7 -8,-0.1 270,-0.1 3,-0.1 -0.924 83.7-112.1-124.9 153.6 10.6 68.0 19.9 30 31 A A - 0 0 72 -2,-0.3 -2,-0.1 1,-0.2 2,-0.1 -0.329 52.4 -79.3 -79.3 163.0 8.9 71.4 20.8 31 32 A N - 0 0 141 -2,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.319 44.2-122.3 -64.5 144.4 10.8 74.6 20.2 32 33 A L - 0 0 19 -15,-0.4 -1,-0.1 -19,-0.1 -15,-0.1 -0.775 19.0-129.1 -85.4 126.9 13.4 75.6 22.8 33 34 A D > - 0 0 88 -2,-0.5 4,-1.8 1,-0.1 3,-0.4 -0.610 16.0-135.6 -70.5 136.4 12.8 79.0 24.5 34 35 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.825 103.0 59.1 -59.8 -38.4 16.1 80.9 24.3 35 36 A V H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 107.1 46.7 -56.8 -47.0 15.9 82.0 27.9 36 37 A E H > S+ 0 0 88 -3,-0.4 4,-3.3 2,-0.2 5,-0.3 0.895 108.0 55.9 -63.9 -41.0 15.8 78.4 29.1 37 38 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.924 107.9 49.5 -57.7 -48.8 18.7 77.4 26.8 38 39 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.906 115.1 42.6 -57.6 -45.6 20.9 80.1 28.5 39 40 A H H X S+ 0 0 73 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.970 115.4 49.7 -68.9 -49.5 19.9 78.9 32.1 40 41 A K H X S+ 0 0 53 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.877 111.7 46.2 -54.6 -46.3 20.3 75.3 31.2 41 42 A L H X>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 4,-1.1 0.848 110.7 54.1 -68.3 -37.4 23.7 75.6 29.6 42 43 A A H ><5S+ 0 0 27 -4,-1.7 3,-1.1 -5,-0.3 -2,-0.2 0.969 108.1 49.6 -65.2 -46.4 25.0 77.8 32.5 43 44 A E H 3<5S+ 0 0 145 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 109.7 52.6 -61.1 -36.3 23.9 75.0 35.0 44 45 A L H 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.721 127.5 -96.0 -73.8 -21.9 25.8 72.4 32.9 45 46 A G T <<5 + 0 0 10 -4,-1.1 -36,-0.3 -3,-1.1 -3,-0.2 0.416 63.9 162.2 121.3 14.5 29.1 74.4 32.9 46 47 A A < - 0 0 4 -5,-2.8 -36,-0.2 1,-0.2 -1,-0.1 -0.159 31.1-160.4 -65.6 156.2 29.0 76.4 29.6 47 48 A Y S S- 0 0 47 -38,-3.1 36,-1.7 1,-0.3 2,-0.3 0.799 70.3 -9.4 -98.3 -41.2 31.2 79.3 29.2 48 49 A G E -bc 10 83A 0 -39,-1.5 -37,-1.0 34,-0.2 -1,-0.3 -0.915 51.2-131.2-154.8 177.7 29.1 80.7 26.3 49 50 A I E -b 11 0A 0 34,-2.7 37,-0.5 -2,-0.3 2,-0.3 -0.941 15.9-165.6-133.8 151.4 26.4 80.6 23.7 50 51 A T E +b 12 0A 0 -39,-1.9 -37,-3.0 -2,-0.3 2,-0.3 -0.916 10.4 179.5-132.5 164.9 26.3 81.4 20.0 51 52 A F E -g 87 0C 0 35,-0.8 37,-2.1 -2,-0.3 2,-0.3 -0.978 30.3-118.5-157.3 169.9 23.5 82.0 17.6 52 53 A H E >> -g 88 0C 14 -2,-0.3 3,-1.8 35,-0.2 4,-1.1 -0.814 43.7-110.5-100.7 143.4 22.4 82.8 14.0 53 54 A D H >> S+ 0 0 17 35,-1.7 4,-3.0 -2,-0.3 3,-0.7 0.895 119.4 45.8 -44.9 -48.4 20.3 86.1 13.7 54 55 A N H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.584 97.1 70.2 -78.0 -5.1 17.1 84.0 12.9 55 56 A D H <4 S+ 0 0 52 -3,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.917 121.4 17.8 -68.2 -42.2 17.7 81.5 15.7 56 57 A L H << S+ 0 0 8 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.856 129.7 42.2 -91.2 -62.3 16.8 84.4 18.0 57 58 A I S < S- 0 0 12 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.865 87.3-123.7-103.8 113.2 15.1 87.1 16.0 58 59 A P > - 0 0 57 0, 0.0 3,-0.6 0, 0.0 -3,-0.1 0.012 18.6-116.8 -49.7 149.8 12.5 85.8 13.5 59 60 A F T 3 S+ 0 0 89 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.905 117.3 33.9 -53.3 -52.9 12.8 86.7 9.8 60 61 A D T 3 S+ 0 0 138 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.462 87.3 141.5 -86.8 -1.9 9.5 88.7 9.9 61 62 A A < - 0 0 22 -3,-0.6 2,-0.1 1,-0.1 -4,-0.0 -0.026 46.5-131.8 -38.4 136.1 9.8 90.0 13.5 62 63 A T > - 0 0 75 1,-0.1 4,-3.0 4,-0.0 5,-0.1 -0.270 27.5-100.2 -83.7 179.5 8.6 93.6 14.0 63 64 A A H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.922 125.2 50.0 -66.3 -43.4 10.6 96.2 15.9 64 65 A A H > S+ 0 0 77 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.988 112.7 48.7 -58.5 -59.0 8.6 95.8 19.1 65 66 A E H >> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.934 108.3 54.1 -50.8 -50.8 9.1 92.0 18.8 66 67 A R H 3X S+ 0 0 99 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.886 109.1 47.4 -52.6 -47.3 12.9 92.5 18.2 67 68 A E H 3X S+ 0 0 133 -4,-2.2 4,-1.7 -3,-0.3 -1,-0.3 0.794 111.1 51.0 -65.1 -33.6 13.4 94.5 21.4 68 69 A K H S- 0 0 79 -4,-0.2 3,-2.5 1,-0.1 4,-0.1 -0.466 86.5-120.6 -66.7 140.6 14.5 81.3 3.6 95 96 A P G > S+ 0 0 94 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.845 109.4 73.7 -49.3 -30.0 13.5 80.2 -0.1 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.836 92.7 54.0 -52.0 -37.8 15.1 83.6 -1.2 97 98 A F G X S+ 0 0 0 -3,-2.5 3,-1.8 1,-0.2 -1,-0.3 0.176 71.4 119.8 -87.1 21.8 18.5 82.0 -0.5 98 99 A K T < S+ 0 0 163 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.714 86.2 31.4 -60.8 -28.2 17.8 78.9 -2.8 99 100 A D T 3 S- 0 0 34 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.108 130.8 -83.8-111.5 11.4 20.8 79.7 -5.1 100 101 A G < - 0 0 0 -3,-1.8 -1,-0.5 39,-0.1 39,-0.1 -0.540 26.7-108.8 115.4 176.8 22.9 81.3 -2.3 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.5 -3,-0.1 12,-0.2 0.668 109.1 19.6-110.6 -83.5 23.4 84.5 -0.5 102 103 A F T 3 S+ 0 0 14 1,-0.3 57,-0.1 11,-0.1 -2,-0.1 0.787 137.0 37.5 -60.3 -32.2 26.7 86.1 -1.6 103 104 A T T 3 S+ 0 0 3 52,-0.1 -1,-0.3 53,-0.1 37,-0.2 0.011 79.5 139.0-112.9 33.8 26.9 83.9 -4.8 104 105 A S < - 0 0 6 -3,-1.5 -4,-0.1 2,-0.2 6,-0.1 -0.463 57.9-131.8 -67.1 151.0 23.2 83.9 -5.9 105 106 A N S S+ 0 0 100 -2,-0.1 2,-0.4 -6,-0.1 -1,-0.1 0.852 91.5 81.8 -71.9 -33.6 22.9 84.3 -9.7 106 107 A D S > S- 0 0 77 1,-0.1 4,-2.0 2,-0.0 -2,-0.2 -0.543 71.8-154.3 -76.9 126.0 20.2 87.0 -8.9 107 108 A R H > S+ 0 0 157 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.824 90.5 57.2 -70.1 -33.3 21.9 90.3 -8.2 108 109 A S H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.963 108.6 47.9 -69.3 -46.4 19.0 91.7 -6.1 109 110 A I H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.931 107.2 55.7 -55.4 -46.2 19.2 88.7 -3.7 110 111 A R H X S+ 0 0 54 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.923 109.9 48.3 -54.0 -41.9 23.1 89.1 -3.5 111 112 A R H X S+ 0 0 160 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.927 111.0 48.1 -63.1 -47.7 22.4 92.7 -2.3 112 113 A F H X S+ 0 0 88 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.943 111.5 52.5 -59.9 -46.8 19.8 91.7 0.3 113 114 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.903 111.0 44.5 -55.7 -48.8 22.2 89.0 1.6 114 115 A L H X S+ 0 0 35 -4,-2.1 4,-2.4 -5,-0.3 3,-0.3 0.915 112.7 52.2 -66.5 -41.8 25.1 91.4 2.1 115 116 A A H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.955 108.3 52.0 -55.0 -52.7 22.7 94.0 3.7 116 117 A K H X S+ 0 0 23 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.785 111.5 47.0 -54.1 -36.0 21.5 91.2 6.1 117 118 A V H X S+ 0 0 1 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.895 110.3 51.6 -73.1 -48.9 25.2 90.4 7.1 118 119 A L H >X S+ 0 0 40 -4,-2.4 4,-1.4 1,-0.2 3,-0.8 0.973 111.0 47.2 -54.7 -52.4 26.2 94.2 7.6 119 120 A H H 3X S+ 0 0 138 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.905 110.6 54.5 -54.6 -43.2 23.2 94.7 10.0 120 121 A N H 3X S+ 0 0 5 -4,-1.0 4,-3.0 -5,-0.3 -1,-0.3 0.826 99.9 59.7 -63.4 -31.2 24.3 91.4 11.7 121 122 A I H S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-0.7 0.893 110.8 49.4 -55.0 -44.6 27.6 90.9 16.8 125 126 A A H ><5S+ 0 0 29 -4,-2.8 3,-1.0 2,-0.2 -1,-0.2 0.946 110.2 50.5 -61.5 -46.9 29.6 94.0 17.9 126 127 A E H 3<5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.939 107.6 53.6 -63.3 -37.2 26.8 94.9 20.4 127 128 A M H 3<5S- 0 0 23 -4,-2.7 -43,-0.4 -5,-0.2 -1,-0.2 0.639 114.9-115.5 -68.9 -15.5 26.8 91.4 21.9 128 129 A G T <<5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.714 54.3 167.3 84.6 25.3 30.6 91.5 22.5 129 130 A A < - 0 0 5 -5,-2.1 -1,-0.2 -6,-0.2 -43,-0.2 -0.425 27.8-162.7 -67.0 142.2 31.3 88.6 20.1 130 131 A E S S+ 0 0 83 -45,-1.9 45,-1.6 1,-0.2 2,-0.4 0.749 74.5 49.9 -93.2 -35.8 35.1 88.2 19.1 131 132 A T E -hi 86 175C 1 -46,-2.4 -44,-1.4 43,-0.2 2,-0.6 -0.852 58.9-162.4-116.5 142.4 34.3 86.1 16.0 132 133 A F E -hi 87 176C 0 43,-3.3 45,-2.8 -2,-0.4 2,-0.4 -0.937 20.4-157.3-115.8 109.6 31.9 86.5 13.1 133 134 A V E -hi 88 177C 4 -46,-1.5 -44,-0.6 -2,-0.6 2,-0.5 -0.760 8.7-166.5 -91.5 141.0 31.4 83.2 11.3 134 135 A M E + i 0 178C 22 43,-2.3 45,-2.5 -2,-0.4 2,-0.6 -0.970 7.0 178.8-120.6 117.8 30.3 82.9 7.6 135 136 A W - 0 0 45 -2,-0.5 2,-1.4 -46,-0.3 -44,-0.3 -0.933 13.6-160.4-113.7 105.2 29.1 79.4 6.5 136 137 A G > + 0 0 26 -2,-0.6 3,-1.2 43,-0.3 54,-0.2 -0.554 26.8 158.4 -87.2 73.1 28.0 79.7 2.8 137 138 A G T 3 S+ 0 0 1 -2,-1.4 49,-0.7 1,-0.3 -1,-0.2 0.558 72.1 45.3 -70.0 -16.5 25.9 76.6 2.6 138 139 A R T 3 S+ 0 0 74 -47,-0.3 2,-0.9 -3,-0.1 -1,-0.3 0.314 85.8 108.3-109.7 5.1 23.8 77.6 -0.4 139 140 A E < + 0 0 3 -3,-1.2 51,-2.4 51,-0.1 2,-0.3 -0.758 70.0 37.7 -83.8 105.5 26.8 78.8 -2.3 140 141 A G E S-L 189 0D 0 -2,-0.9 2,-0.3 -41,-0.4 49,-0.2 -0.957 76.3 -94.6 157.5-145.4 27.4 76.2 -5.1 141 142 A S E -L 188 0D 7 47,-2.1 47,-1.9 -2,-0.3 3,-0.1 -0.981 10.2-144.6-169.1 165.5 25.4 74.0 -7.5 142 143 A E S S+ 0 0 85 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.581 96.4 49.3 -98.6 -37.2 23.9 70.6 -8.3 143 144 A Y S > S- 0 0 164 1,-0.1 3,-1.1 45,-0.1 4,-0.2 -0.858 78.1-133.9-112.1 137.9 24.9 71.0 -12.0 144 145 A D T 3 S+ 0 0 136 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.752 103.4 51.2 -68.0 -24.4 28.2 72.0 -13.6 145 146 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 3,-0.1 -4,-0.0 0.442 84.9 88.7 -92.7 0.9 26.8 74.5 -16.0 146 147 A S S < S+ 0 0 48 -3,-1.1 2,-0.3 1,-0.0 -1,-0.2 0.683 88.7 45.9 -65.0 -27.6 24.8 76.5 -13.4 147 148 A K - 0 0 20 -3,-0.5 2,-0.9 -4,-0.2 3,-0.1 -0.909 67.5-134.3-129.3 151.2 27.7 78.8 -12.6 148 149 A D > - 0 0 104 -2,-0.3 4,-3.3 1,-0.2 5,-0.1 -0.908 34.1-156.7 -94.7 102.7 30.4 81.0 -14.0 149 150 A L H > S+ 0 0 101 -2,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.800 87.0 46.1 -62.4 -37.1 33.0 79.6 -11.5 150 151 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 114.3 49.2 -73.7 -40.8 35.4 82.6 -11.7 151 152 A A H > S+ 0 0 30 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.943 106.2 57.6 -62.0 -46.3 32.4 85.1 -11.3 152 153 A A H X S+ 0 0 7 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.914 110.3 43.3 -52.6 -47.8 31.2 82.9 -8.3 153 154 A L H X S+ 0 0 75 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.842 112.9 51.4 -69.3 -34.2 34.6 83.6 -6.5 154 155 A D H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 112.1 47.2 -63.5 -49.9 34.7 87.3 -7.5 155 156 A R H X S+ 0 0 83 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.946 112.0 50.9 -55.6 -48.2 31.1 87.6 -6.0 156 157 A M H X S+ 0 0 14 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.933 110.6 48.5 -54.8 -50.9 32.3 85.7 -2.9 157 158 A R H X S+ 0 0 86 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.900 106.5 57.4 -58.8 -40.5 35.3 88.1 -2.5 158 159 A E H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.965 110.9 42.0 -52.3 -64.0 33.1 91.2 -2.9 159 160 A G H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.920 116.6 45.9 -55.8 -55.7 30.8 90.2 0.0 160 161 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.917 116.1 46.3 -60.4 -43.9 33.6 89.0 2.4 161 162 A D H X S+ 0 0 17 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.812 112.4 50.2 -66.6 -33.5 35.8 92.1 1.7 162 163 A T H X S+ 0 0 65 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.930 112.1 47.8 -70.4 -41.0 32.8 94.5 2.1 163 164 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.863 115.4 45.8 -66.7 -38.3 32.0 92.9 5.4 164 165 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.827 110.5 52.3 -72.6 -38.7 35.7 93.2 6.5 165 166 A G H X S+ 0 0 14 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.924 108.8 50.6 -63.3 -45.6 36.1 96.8 5.3 166 167 A Y H X S+ 0 0 51 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.926 107.2 53.8 -60.8 -45.4 33.0 97.8 7.3 167 168 A I H X>S+ 0 0 4 -4,-1.5 5,-1.1 1,-0.2 4,-1.0 0.941 112.7 44.4 -52.1 -51.1 34.4 96.1 10.5 168 169 A K H ><5S+ 0 0 78 -4,-1.9 3,-0.8 2,-0.2 -2,-0.2 0.949 113.9 50.1 -59.2 -52.7 37.6 98.1 10.1 169 170 A D H 3<5S+ 0 0 141 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.905 113.6 44.5 -57.2 -49.5 35.7 101.3 9.4 170 171 A K H 3<5S- 0 0 106 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.526 107.6-125.2 -71.5 -13.8 33.4 100.9 12.4 171 172 A G T <<5 + 0 0 57 -4,-1.0 -3,-0.2 -3,-0.8 -4,-0.1 0.514 51.6 158.9 75.6 14.1 36.4 99.9 14.7 172 173 A Y < - 0 0 58 -5,-1.1 2,-1.2 -6,-0.2 -1,-0.2 -0.308 46.2-128.0 -65.8 142.0 34.9 96.6 16.0 173 174 A N + 0 0 149 -44,-0.1 2,-0.3 -48,-0.1 -1,-0.1 -0.788 65.5 122.4-100.3 88.1 37.0 93.8 17.5 174 175 A L - 0 0 7 -2,-1.2 2,-0.4 -42,-0.0 -43,-0.2 -0.960 43.6-162.4-148.3 140.6 35.8 91.1 15.3 175 176 A R E -i 131 0C 111 -45,-1.6 -43,-3.3 -2,-0.3 2,-0.4 -0.913 23.8-124.6-123.2 144.1 37.5 88.8 12.9 176 177 A I E -ij 132 210C 0 33,-2.1 35,-2.8 -2,-0.4 2,-0.5 -0.775 20.4-164.3 -91.2 134.2 35.6 86.8 10.3 177 178 A A E -ij 133 211C 0 -45,-2.8 -43,-2.3 -2,-0.4 35,-0.3 -0.998 10.6-147.0-123.7 118.3 36.1 83.1 10.3 178 179 A L E -ij 134 212C 12 33,-3.2 35,-2.9 -2,-0.5 -43,-0.2 -0.622 7.4-146.4 -89.0 146.1 35.0 81.2 7.0 179 180 A E - 0 0 18 -45,-2.5 -43,-0.3 -2,-0.3 2,-0.1 -0.823 8.7-154.8-122.8 105.2 33.5 77.8 7.3 180 181 A P + 0 0 5 0, 0.0 35,-0.3 0, 0.0 39,-0.1 -0.361 17.4 167.9 -75.2 150.7 34.1 75.2 4.5 181 182 A K - 0 0 5 10,-0.7 12,-0.2 9,-0.2 8,-0.1 -0.881 27.4-145.3-163.2 129.3 31.8 72.2 3.7 182 183 A P S S- 0 0 16 0, 0.0 7,-2.8 0, 0.0 2,-0.3 0.812 73.9 -16.6 -71.7 -37.7 32.0 70.0 0.6 183 184 A N S S+ 0 0 56 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.895 73.6 108.1-160.6 169.0 28.3 69.3 0.1 184 185 A E S S+ 0 0 74 2,-2.3 -1,-0.2 -2,-0.3 3,-0.1 0.915 90.6 24.0 72.1 109.0 24.8 69.4 1.7 185 186 A P S S+ 0 0 39 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.976 129.9 42.4 -79.9 -16.6 22.6 71.3 1.1 186 187 A R S S- 0 0 19 -49,-0.7 -2,-2.3 1,-0.1 3,-0.2 -0.606 85.7-119.9 -83.5 160.5 24.1 71.9 -2.4 187 188 A G S S+ 0 0 40 1,-0.3 2,-0.4 -4,-0.2 -45,-0.2 0.838 105.7 11.8 -63.7 -38.4 25.4 69.0 -4.5 188 189 A D E S-L 141 0D 88 -47,-1.9 -47,-2.1 -5,-0.1 2,-0.3 -0.962 79.1-151.5-137.9 126.4 28.9 70.8 -4.5 189 190 A I E -L 140 0D 10 -7,-2.8 -49,-0.3 -2,-0.4 2,-0.1 -0.803 23.8-112.7-101.1 145.5 29.6 73.8 -2.2 190 191 A F S S+ 0 0 31 -51,-2.4 -9,-0.2 -2,-0.3 -54,-0.1 -0.454 102.6 23.8 -69.8 144.5 32.2 76.5 -3.1 191 192 A L S S- 0 0 25 -2,-0.1 -10,-0.7 -11,-0.1 -1,-0.2 0.990 81.3-178.9 60.5 62.4 35.3 76.5 -0.8 192 193 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.641 50.1 22.4 -67.7 -25.2 34.8 72.8 0.1 193 194 A T S > S- 0 0 21 -12,-0.2 4,-2.5 -11,-0.1 5,-0.2 -0.862 88.3 -90.9-138.0 172.4 37.7 72.1 2.5 194 195 A V H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.946 124.0 53.0 -51.4 -51.5 40.1 73.8 4.9 195 196 A G H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 108.3 48.3 -53.9 -50.6 42.7 74.1 2.0 196 197 A H H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 112.4 50.4 -56.7 -44.6 40.2 75.9 -0.4 197 198 A G H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.960 111.8 46.7 -59.9 -48.7 39.2 78.3 2.4 198 199 A L H X S+ 0 0 18 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.920 112.8 49.8 -58.8 -44.9 42.8 79.1 3.2 199 200 A A H < S+ 0 0 62 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.903 109.6 51.3 -59.9 -43.5 43.7 79.7 -0.5 200 201 A F H >< S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.2 4,-0.3 0.933 102.1 60.1 -61.0 -45.9 40.6 82.0 -1.0 201 202 A I H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.817 97.1 61.2 -53.7 -36.4 41.6 84.1 2.0 202 203 A E T 3< S+ 0 0 128 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.640 99.5 55.3 -66.0 -16.1 45.0 85.0 0.3 203 204 A Q T < S+ 0 0 130 -3,-1.9 -1,-0.2 -4,-0.4 2,-0.2 0.319 89.5 107.9 -97.8 -1.7 43.2 86.7 -2.7 204 205 A L < - 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