==== 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)09-OCT-91 1XLA . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR C.A.COLLYER,K.HENRICK,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 68.7 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 7 3 1 0 2 2 2 2 1 3 0 0 0 0 2 0 2 0 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 9 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 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 4 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 2 A V 0 0 76 0, 0.0 311,-0.1 0, 0.0 315,-0.1 0.000 360.0 360.0 360.0 87.4 35.5 65.0 34.0 2 3 A Q - 0 0 58 309,-0.1 43,-0.1 310,-0.1 310,-0.0 -0.768 360.0-144.5-119.0 106.4 34.0 68.0 35.6 3 4 A P - 0 0 34 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.305 18.3-176.4 -62.8 160.5 33.7 70.9 33.1 4 5 A T > - 0 0 74 41,-0.1 3,-2.5 0, 0.0 4,-0.4 -0.938 44.6-103.2-147.6 153.0 34.2 74.5 34.3 5 6 A P G > S+ 0 0 73 0, 0.0 3,-0.6 0, 0.0 41,-0.0 0.644 117.6 71.6 -55.3 -12.4 33.8 77.7 32.4 6 7 A A G 3 S+ 0 0 81 1,-0.2 41,-0.0 2,-0.1 0, 0.0 0.641 86.7 65.7 -78.7 -13.4 37.7 77.8 32.3 7 8 A D G < S- 0 0 36 -3,-2.5 -1,-0.2 38,-0.2 281,-0.2 0.725 101.8-137.2 -74.8 -29.9 37.5 74.9 29.7 8 9 A H < + 0 0 66 -3,-0.6 280,-2.2 -4,-0.4 2,-0.4 0.830 35.7 171.4 68.7 41.9 35.8 77.3 27.3 9 10 A F E -a 288 0A 1 -5,-0.3 38,-3.6 36,-0.3 39,-1.2 -0.677 8.3-175.6 -81.8 118.8 33.1 74.9 26.1 10 11 A T E -ab 289 48A 0 278,-1.9 280,-2.1 -2,-0.4 2,-0.3 -0.850 6.5-167.8-117.8 153.3 30.6 76.8 23.9 11 12 A F E -ab 290 49A 0 37,-1.4 39,-1.5 -2,-0.3 2,-0.2 -0.998 21.2-118.9-138.5 148.3 27.3 75.4 22.3 12 13 A G E >> - b 0 50A 0 278,-1.1 3,-1.4 -2,-0.3 4,-1.1 -0.598 18.9-127.2 -87.6 156.7 25.0 76.8 19.7 13 14 A L H 3> S+ 0 0 9 37,-2.6 4,-1.8 1,-0.3 38,-0.1 0.872 113.3 54.8 -62.5 -37.9 21.3 77.6 20.4 14 15 A W H 34 S+ 0 0 36 36,-0.2 -1,-0.3 3,-0.2 4,-0.2 0.538 99.4 64.6 -71.5 -15.2 20.4 75.4 17.4 15 16 A T H X4 S+ 0 0 0 -3,-1.4 3,-1.4 2,-0.2 -2,-0.2 0.960 117.6 20.5 -75.9 -69.3 22.4 72.5 18.8 16 17 A V H 3< S+ 0 0 0 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.884 127.1 58.0 -67.4 -30.7 20.4 71.7 22.0 17 18 A G T 3< S+ 0 0 18 -4,-1.8 15,-0.4 -5,-0.4 -1,-0.3 0.523 73.2 125.7 -73.1 -7.6 17.4 73.6 20.4 18 19 A W < - 0 0 55 -3,-1.4 -3,-0.1 -4,-0.2 -4,-0.0 -0.372 48.7-158.2 -60.4 121.6 17.4 71.2 17.3 19 20 A T - 0 0 27 -2,-0.2 10,-2.0 2,-0.1 9,-1.7 0.658 38.1-104.7 -81.3 -19.5 13.8 70.0 17.2 20 21 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.3 276,-0.1 0.471 66.6 143.2 109.8 3.1 14.3 66.9 15.1 21 22 A A + 0 0 47 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.585 18.5 165.9 -79.6 132.3 13.1 67.6 11.7 22 23 A D B > -F 25 0B 64 3,-1.9 3,-1.1 -2,-0.4 5,-0.0 -0.738 56.4 -83.5-126.7-175.4 15.3 65.9 9.0 23 24 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.651 127.5 46.3 -71.5 -12.3 14.4 65.4 5.3 24 25 A F T 3 S+ 0 0 206 1,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.396 120.7 11.5-108.0 2.5 12.4 62.2 5.9 25 26 A G B < S-F 22 0B 26 -3,-1.1 -3,-1.9 -5,-0.0 -1,-0.2 -0.998 70.2 -96.7-168.6 169.3 10.3 63.5 8.9 26 27 A V - 0 0 113 -2,-0.3 -2,-0.0 -5,-0.2 -4,-0.0 -0.319 58.1 -62.3 -90.2 171.8 9.1 66.2 11.3 27 28 A A - 0 0 45 1,-0.1 -7,-0.3 -2,-0.1 -1,-0.2 -0.144 31.3-169.4 -50.6 140.0 10.2 67.4 14.7 28 29 A T S S+ 0 0 60 -9,-1.7 2,-0.3 270,-0.1 -8,-0.2 0.447 73.1 58.7-107.6 -12.6 10.1 65.0 17.7 29 30 A R S S- 0 0 14 -10,-2.0 3,-0.1 270,-0.1 -8,-0.1 -0.934 83.8-116.7-123.8 141.4 10.8 67.8 20.2 30 31 A K - 0 0 77 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.308 52.0 -80.0 -70.9 158.6 8.9 71.0 21.1 31 32 A N - 0 0 144 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 -0.284 45.3-124.3 -63.4 146.4 10.7 74.3 20.5 32 33 A L - 0 0 26 -15,-0.4 -1,-0.1 -3,-0.1 -15,-0.1 -0.839 16.2-127.3 -96.7 132.4 13.3 75.3 23.2 33 34 A D >> - 0 0 85 -2,-0.5 4,-1.5 1,-0.1 3,-0.6 -0.635 17.0-135.4 -73.9 131.6 12.9 78.7 24.8 34 35 A P H 3> S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.792 101.5 60.2 -61.9 -29.8 16.2 80.6 24.5 35 36 A V H 3> S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.883 107.5 45.6 -61.4 -44.7 16.1 81.7 28.2 36 37 A E H <> S+ 0 0 93 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.840 108.0 56.2 -65.5 -40.7 16.1 78.1 29.4 37 38 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.948 109.3 47.8 -57.8 -52.9 18.9 77.0 27.0 38 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.853 115.5 43.9 -54.1 -48.7 21.1 79.7 28.6 39 40 A H H X S+ 0 0 68 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.913 115.2 47.3 -65.3 -48.8 20.2 78.7 32.2 40 41 A K H X S+ 0 0 54 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.902 112.7 48.6 -60.8 -46.0 20.6 75.0 31.5 41 42 A L H X>S+ 0 0 0 -4,-2.3 5,-2.0 -5,-0.2 4,-1.1 0.899 108.9 54.4 -63.6 -45.8 23.9 75.3 29.7 42 43 A A H ><5S+ 0 0 30 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.892 107.8 49.8 -59.2 -43.3 25.2 77.5 32.5 43 44 A E H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 107.0 56.0 -70.1 -23.9 24.3 74.8 35.1 44 45 A L H 3<5S- 0 0 35 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.713 122.9-102.7 -76.4 -23.4 26.2 72.1 32.9 45 46 A G T <<5 + 0 0 12 -4,-1.1 -36,-0.3 -3,-0.8 -38,-0.2 0.583 64.9 156.3 112.4 9.6 29.4 74.1 33.0 46 47 A A < - 0 0 5 -5,-2.0 -1,-0.2 1,-0.1 -36,-0.2 -0.236 36.8-148.7 -65.6 154.2 29.4 75.7 29.5 47 48 A Y - 0 0 68 -38,-3.6 36,-1.7 1,-0.3 2,-0.3 0.791 68.8 -14.4 -95.0 -36.2 31.3 78.9 29.0 48 49 A G E -bc 10 83A 0 -39,-1.2 -37,-1.4 34,-0.2 -1,-0.3 -0.969 54.2-123.9-163.4 172.0 29.1 80.5 26.3 49 50 A I E -b 11 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.810 17.7-162.1-123.2 156.2 26.3 80.2 23.8 50 51 A T E -b 12 0A 0 -39,-1.5 -37,-2.6 -2,-0.3 2,-0.3 -0.956 10.4-176.3-136.1 157.4 26.3 81.0 20.1 51 52 A F E -g 87 0C 0 35,-0.6 37,-2.0 -2,-0.3 2,-0.4 -0.971 30.0-121.5-152.1 162.6 23.4 81.6 17.7 52 53 A H E >> -g 88 0C 19 -2,-0.3 3,-2.8 35,-0.2 4,-0.9 -0.841 45.5-109.1 -93.1 141.0 22.5 82.3 14.1 53 54 A D H >> S+ 0 0 16 35,-1.9 4,-2.1 -2,-0.4 3,-1.0 0.823 120.5 45.8 -38.3 -56.6 20.5 85.7 13.8 54 55 A N H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.401 94.6 74.4 -73.3 -0.7 17.2 83.7 13.1 55 56 A D H <4 S+ 0 0 53 -3,-2.8 -1,-0.2 3,-0.1 -2,-0.2 0.879 119.2 17.1 -72.4 -37.5 17.7 81.1 15.9 56 57 A L H << S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.1 0.873 129.2 46.4 -93.5 -62.4 16.7 83.9 18.3 57 58 A I S < S- 0 0 10 -4,-2.1 -1,-0.2 -5,-0.2 9,-0.1 -0.799 86.6-127.4 -96.7 112.6 15.0 86.6 16.2 58 59 A P > - 0 0 61 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.123 21.3-115.0 -54.9 152.4 12.5 85.3 13.8 59 60 A F T 3 S+ 0 0 89 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.872 117.1 38.1 -56.7 -44.1 12.8 86.3 10.1 60 61 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.176 84.8 144.2 -91.2 8.3 9.6 88.3 10.2 61 62 A A < - 0 0 25 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.214 45.6-134.4 -53.6 134.2 10.0 89.6 13.8 62 63 A T > - 0 0 77 1,-0.1 4,-2.8 4,-0.0 5,-0.1 -0.431 29.0-103.1 -82.5 172.9 8.6 93.2 14.2 63 64 A E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.807 123.1 52.8 -65.4 -38.8 10.8 95.6 16.1 64 65 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.976 112.6 47.5 -63.6 -54.4 8.8 95.4 19.3 65 66 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.938 110.8 51.5 -48.4 -50.8 9.2 91.5 19.1 66 67 A R H X S+ 0 0 95 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.890 110.5 47.6 -55.2 -46.0 13.0 91.9 18.4 67 68 A E H X S+ 0 0 146 -4,-2.0 4,-2.2 -3,-0.4 -1,-0.2 0.864 110.9 51.5 -66.6 -37.8 13.5 94.1 21.4 68 69 A K H X S+ 0 0 118 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.977 110.4 48.3 -63.3 -52.9 11.5 91.8 23.7 69 70 A I H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.843 112.9 47.2 -55.8 -42.4 13.5 88.8 22.6 70 71 A L H X S+ 0 0 15 -4,-1.7 4,-3.5 -5,-0.2 -1,-0.2 0.849 111.2 51.7 -70.0 -36.6 16.9 90.6 23.1 71 72 A G H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.949 113.2 44.5 -65.9 -47.3 15.8 91.9 26.6 72 73 A D H X S+ 0 0 67 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.972 118.1 44.6 -55.7 -54.8 14.9 88.4 27.7 73 74 A F H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.901 113.8 48.4 -61.8 -44.8 18.1 86.9 26.2 74 75 A N H X S+ 0 0 63 -4,-3.5 4,-1.8 2,-0.2 -1,-0.2 0.817 110.3 54.6 -64.8 -32.1 20.3 89.7 27.6 75 76 A Q H X S+ 0 0 101 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.953 107.9 47.9 -60.6 -57.6 18.6 89.1 31.0 76 77 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 6,-0.3 0.855 112.2 49.2 -52.1 -47.1 19.4 85.4 31.0 77 78 A L H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.910 112.1 48.0 -61.7 -45.1 23.1 86.1 30.0 78 79 A K H < S+ 0 0 179 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.932 113.5 49.4 -63.6 -45.2 23.4 88.7 32.8 79 80 A D H < S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.839 122.6 29.6 -60.7 -41.7 21.8 86.2 35.3 80 81 A T H < S- 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.700 97.6-125.9 -97.9 -22.9 24.1 83.2 34.4 81 82 A G < + 0 0 53 -4,-2.7 -3,-0.1 1,-0.3 -4,-0.1 0.430 52.4 155.4 88.5 4.7 27.3 84.9 33.3 82 83 A L - 0 0 14 -5,-0.3 -1,-0.3 -6,-0.3 -34,-0.2 -0.374 33.5-140.0 -63.1 143.1 27.5 83.1 29.9 83 84 A K B -c 48 0A 119 -36,-1.7 -34,-2.2 -2,-0.0 45,-0.1 -0.524 5.6-138.0 -98.2 167.4 29.5 84.8 27.2 84 85 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.816 32.0 165.8-130.0 83.0 28.5 85.0 23.5 85 86 A P + 0 0 20 0, 0.0 46,-2.3 0, 0.0 45,-1.5 0.727 62.6 26.4 -78.1 -22.8 31.8 84.4 21.7 86 87 A M E - h 0 131C 1 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.981 57.8-177.8-144.0 146.2 30.6 83.7 18.2 87 88 A V E -gh 51 132C 0 44,-1.2 46,-1.6 -2,-0.3 2,-0.3 -0.967 11.8-174.8-139.4 144.3 27.4 84.8 16.2 88 89 A T E -gh 52 133C 5 -37,-2.0 -35,-1.9 -2,-0.3 2,-0.4 -0.842 21.1-114.0-140.2 170.6 26.6 83.7 12.6 89 90 A T - 0 0 9 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.907 17.4-129.4-112.2 141.6 24.0 84.4 10.0 90 91 A N + 0 0 12 -2,-0.4 4,-0.2 1,-0.1 -36,-0.1 -0.806 40.0 155.4 -94.0 106.5 21.4 82.2 8.6 91 92 A L + 0 0 19 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.256 65.3 55.3-116.0 35.7 21.7 82.4 4.8 92 93 A F S S+ 0 0 32 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.562 87.4 61.5-143.8 -20.1 20.2 79.0 4.0 93 94 A S S S+ 0 0 76 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.888 80.2 79.1 -88.1 -34.3 16.7 78.3 5.5 94 95 A H S > S- 0 0 74 -4,-0.2 3,-1.9 1,-0.1 4,-0.1 -0.510 86.7-119.4 -69.2 145.7 14.4 80.9 3.9 95 96 A P G > S+ 0 0 96 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.787 108.2 73.0 -51.1 -30.8 13.3 80.0 0.4 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.859 94.3 54.8 -52.6 -39.8 14.9 83.2 -1.0 97 98 A F G X + 0 0 0 -3,-1.9 3,-2.2 1,-0.2 -1,-0.3 0.197 67.9 119.0 -83.6 18.4 18.4 81.7 -0.4 98 99 A K T < S+ 0 0 165 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.654 86.4 35.6 -56.7 -23.9 17.8 78.5 -2.5 99 100 A D T 3 S- 0 0 34 1,-0.6 41,-0.4 -3,-0.4 -1,-0.3 0.161 129.9 -80.8-109.5 4.6 20.7 79.5 -4.8 100 101 A G < - 0 0 0 -3,-2.2 -1,-0.6 39,-0.1 39,-0.1 -0.659 27.2-114.2 119.3 175.8 22.9 81.0 -2.1 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.4 -3,-0.1 12,-0.2 0.592 108.9 20.7-111.7 -93.7 23.2 84.3 -0.3 102 103 A F T 3 S+ 0 0 13 1,-0.3 57,-0.1 11,-0.1 56,-0.1 0.713 137.5 36.1 -54.3 -33.6 26.6 85.8 -1.5 103 104 A T T 3 S+ 0 0 4 52,-0.1 -1,-0.3 53,-0.1 37,-0.1 0.118 80.0 136.3-113.6 19.0 26.8 83.7 -4.6 104 105 A S < - 0 0 4 -3,-1.4 -4,-0.1 1,-0.1 6,-0.1 -0.342 59.1-130.3 -58.2 150.7 23.1 83.6 -5.7 105 106 A N S S+ 0 0 104 -5,-0.1 2,-0.6 -6,-0.1 -1,-0.1 0.812 92.1 83.7 -77.0 -33.1 22.7 84.1 -9.5 106 107 A D S > S- 0 0 79 1,-0.1 4,-1.9 2,-0.0 -2,-0.1 -0.622 72.4-154.7 -76.8 119.3 20.0 86.7 -8.7 107 108 A R H > S+ 0 0 154 -2,-0.6 4,-1.7 2,-0.2 -1,-0.1 0.888 90.9 56.0 -64.1 -40.6 21.7 90.1 -7.9 108 109 A S H >> S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.983 107.7 50.3 -61.1 -50.1 18.9 91.5 -5.7 109 110 A I H 3> S+ 0 0 29 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.949 107.1 54.2 -52.0 -43.0 19.2 88.4 -3.4 110 111 A R H 3X S+ 0 0 53 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.911 109.7 48.8 -58.5 -39.3 22.9 88.8 -3.2 111 112 A R H S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 4,-0.3 0.863 111.1 49.4 -54.6 -43.1 27.6 90.5 17.1 125 126 A A H ><5S+ 0 0 19 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.965 110.9 49.7 -67.6 -44.8 29.6 93.5 18.1 126 127 A E H 3<5S+ 0 0 132 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.877 107.9 54.1 -64.4 -31.7 26.9 94.6 20.6 127 128 A M T 3<5S- 0 0 23 -4,-2.5 -43,-0.4 -5,-0.2 -1,-0.3 0.487 114.6-115.3 -77.2 -3.7 26.9 91.0 22.2 128 129 A G T < 5 + 0 0 57 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.702 57.0 162.0 75.1 21.4 30.6 91.1 22.7 129 130 A A < - 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0 0 18 -3,-0.6 2,-0.8 -4,-0.2 -1,-0.1 -0.979 69.2-131.2-132.6 151.8 27.3 78.6 -12.5 148 149 A D > - 0 0 105 -2,-0.3 4,-2.1 1,-0.1 -3,-0.1 -0.883 35.1-154.8 -88.8 112.7 30.2 80.7 -14.0 149 150 A L H > S+ 0 0 93 -2,-0.8 4,-1.1 2,-0.2 -1,-0.1 0.764 87.6 49.2 -69.9 -29.4 32.7 79.4 -11.5 150 151 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.862 111.9 49.5 -72.5 -42.4 35.1 82.4 -11.6 151 152 A A H > S+ 0 0 29 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.906 105.9 57.8 -66.9 -37.2 32.2 84.8 -11.2 152 153 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 109.2 44.4 -59.6 -43.3 31.0 82.7 -8.2 153 154 A L H X S+ 0 0 76 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.824 112.6 52.2 -71.9 -32.8 34.4 83.2 -6.5 154 155 A D H X S+ 0 0 61 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.973 111.6 46.2 -62.4 -51.3 34.4 87.0 -7.4 155 156 A R H X S+ 0 0 78 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.909 112.4 51.0 -57.9 -45.1 30.9 87.3 -5.8 156 157 A M H X S+ 0 0 16 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.5 47.3 -55.6 -53.5 32.0 85.4 -2.7 157 158 A R H X S+ 0 0 91 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.870 108.8 54.6 -56.5 -45.3 35.1 87.6 -2.3 158 159 A E H X S+ 0 0 101 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.907 111.1 45.1 -57.3 -46.9 33.1 90.8 -2.8 159 160 A G H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.941 117.2 43.6 -66.4 -51.6 30.7 89.8 0.0 160 161 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.867 115.0 48.1 -66.2 -38.5 33.5 88.7 2.5 161 162 A D H X S+ 0 0 16 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.908 110.6 53.2 -70.5 -35.2 35.7 91.8 1.7 162 163 A T H X S+ 0 0 62 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.871 111.1 45.5 -62.7 -41.9 32.7 94.1 2.2 163 164 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.905 115.4 47.0 -67.0 -44.9 32.0 92.5 5.6 164 165 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 111.2 51.4 -65.9 -39.1 35.7 92.7 6.6 165 166 A G H X S+ 0 0 12 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.924 109.4 51.1 -63.0 -45.0 35.9 96.3 5.4 166 167 A Y H X S+ 0 0 65 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.939 109.5 49.8 -60.8 -48.1 32.9 97.2 7.5 167 168 A I H X>S+ 0 0 3 -4,-2.4 5,-1.1 1,-0.2 4,-0.8 0.899 113.2 46.4 -57.3 -47.2 34.4 95.6 10.7 168 169 A K H ><5S+ 0 0 83 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.964 115.2 47.7 -59.2 -53.6 37.6 97.5 10.1 169 170 A D H 3<5S+ 0 0 137 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.835 111.4 47.9 -52.8 -47.2 35.7 100.7 9.5 170 171 A K H 3<5S- 0 0 114 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.522 108.0-122.3 -75.0 -10.4 33.4 100.4 12.5 171 172 A G T <<5 + 0 0 66 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.1 0.534 53.6 161.2 74.4 17.3 36.3 99.7 14.9 172 173 A Y < - 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