==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-03 1PS6 . COMPND 2 MOLECULE: 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,Y.LI,J.BANKS,D.E.CANE,A.MATTE,M.CYGLER . 657 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 4.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.9 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 8 0 2 0 3 3 2 2 0 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 2 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 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 38.2 -20.7 -7.5 2 3 A K - 0 0 177 61,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.938 360.0 -98.0-126.5 150.2 35.7 -21.3 -10.3 3 4 A T - 0 0 52 61,-0.3 61,-0.4 -2,-0.3 2,-0.2 -0.497 47.3-133.2 -66.5 133.6 33.9 -18.8 -12.6 4 5 A Q - 0 0 68 26,-0.4 28,-2.4 -2,-0.2 2,-0.4 -0.595 9.2-142.4 -91.9 151.9 30.4 -18.3 -11.1 5 6 A R E -a 32 0A 34 -2,-0.2 108,-3.2 26,-0.2 109,-0.6 -0.901 12.4-169.2-112.4 141.5 27.1 -18.3 -13.0 6 7 A V E -ab 33 114A 0 26,-2.2 28,-3.0 -2,-0.4 2,-0.4 -0.948 17.3-134.8-124.2 147.0 24.3 -15.9 -12.2 7 8 A V E -ab 34 115A 0 107,-2.6 109,-2.5 -2,-0.4 2,-0.5 -0.890 16.7-161.9-106.4 137.5 20.8 -16.4 -13.6 8 9 A I E -ab 35 116A 0 26,-3.2 28,-2.7 -2,-0.4 109,-0.2 -0.970 8.3-160.4-121.4 127.1 18.9 -13.4 -15.1 9 10 A T E - b 0 117A 0 107,-2.2 109,-3.9 -2,-0.5 28,-0.1 -0.903 4.3-161.7-106.5 107.3 15.2 -13.3 -15.7 10 11 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.838 32.1-154.8 -54.5 -35.4 14.4 -10.5 -18.2 11 12 A G + 0 0 2 107,-0.1 109,-0.3 6,-0.1 88,-0.1 -0.703 55.0 31.3 99.0-149.0 10.8 -10.5 -17.1 12 13 A E > - 0 0 3 107,-2.0 3,-1.4 -2,-0.3 5,-0.4 -0.267 68.9-144.4 -49.9 120.1 7.7 -9.4 -19.1 13 14 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 72,-0.1 0.887 99.8 47.3 -55.6 -45.2 8.5 -10.2 -22.8 14 15 A A T 3 S+ 0 0 1 71,-0.1 72,-2.6 70,-0.1 289,-0.2 0.473 106.4 85.7 -77.7 -1.7 6.7 -7.1 -24.1 15 16 A G S <> S- 0 0 0 -3,-1.4 4,-0.5 70,-0.2 289,-0.2 -0.231 97.6 -93.4 -93.7-176.1 8.4 -5.0 -21.5 16 17 A I H > S+ 0 0 5 282,-2.5 4,-2.7 1,-0.2 5,-0.2 0.637 101.7 89.8 -72.2 -14.9 11.7 -3.2 -21.1 17 18 A G H > S+ 0 0 0 -5,-0.4 4,-2.4 102,-0.2 5,-0.2 0.914 88.0 43.8 -51.6 -53.4 13.4 -6.2 -19.5 18 19 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 112.6 54.7 -61.8 -37.0 14.6 -7.9 -22.6 19 20 A D H X S+ 0 0 0 -4,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.944 110.4 46.4 -56.8 -49.5 15.8 -4.5 -23.9 20 21 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.869 110.5 50.8 -62.7 -41.1 17.8 -4.0 -20.8 21 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.868 107.7 53.5 -68.0 -34.5 19.4 -7.5 -20.8 22 23 A V H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.886 112.0 46.6 -64.7 -37.2 20.4 -7.0 -24.4 23 24 A Q H >< S+ 0 0 40 -4,-1.6 3,-1.9 -5,-0.2 -2,-0.2 0.902 106.0 56.8 -71.5 -41.8 22.1 -3.8 -23.2 24 25 A L H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.938 101.0 62.0 -50.8 -47.1 23.7 -5.4 -20.2 25 26 A A T 3< S+ 0 0 0 -4,-2.0 45,-3.4 1,-0.3 46,-0.8 0.578 80.3 82.3 -56.5 -15.3 25.3 -7.8 -22.7 26 27 A Q T < S+ 0 0 58 -3,-1.9 2,-0.3 43,-0.3 -1,-0.3 0.353 93.3 49.9 -77.7 10.6 27.2 -5.1 -24.5 27 28 A R S < S- 0 0 123 -3,-1.2 44,-0.2 44,-0.2 43,-0.2 -0.901 91.5 -91.9-140.0 169.8 30.0 -5.2 -21.9 28 29 A E - 0 0 118 -2,-0.3 40,-0.2 41,-0.1 -2,-0.1 -0.523 33.9-165.4 -84.0 152.1 32.2 -7.8 -20.2 29 30 A W - 0 0 11 38,-1.8 38,-0.2 -2,-0.2 4,-0.1 -0.975 26.8-135.0-135.9 146.8 31.3 -9.5 -16.9 30 31 A P S S+ 0 0 87 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 0.423 92.9 54.0 -79.5 1.2 33.4 -11.6 -14.4 31 32 A V S S- 0 0 8 36,-0.1 36,-2.2 -28,-0.1 2,-0.5 -0.877 95.3-101.0-129.7 163.9 30.6 -14.1 -14.3 32 33 A E E -a 5 0A 3 -28,-2.4 -26,-2.2 -2,-0.3 2,-1.1 -0.756 34.2-138.5 -85.6 126.1 28.7 -16.1 -16.8 33 34 A L E -a 6 0A 0 -2,-0.5 40,-2.3 -28,-0.2 2,-1.0 -0.737 16.2-166.8 -89.7 98.1 25.3 -14.5 -17.4 34 35 A V E -ac 7 73A 0 -28,-3.0 -26,-3.2 -2,-1.1 2,-0.6 -0.747 8.0-162.2 -86.9 106.9 22.7 -17.2 -17.7 35 36 A V E -ac 8 74A 0 38,-3.8 40,-2.8 -2,-1.0 2,-1.0 -0.801 7.2-152.2 -92.7 123.9 19.6 -15.6 -19.1 36 37 A C E + c 0 75A 0 -28,-2.7 2,-0.3 -2,-0.6 67,-0.1 -0.789 55.5 88.8 -99.1 92.6 16.4 -17.6 -18.6 37 38 A A E S- c 0 76A 0 -2,-1.0 40,-1.2 38,-0.5 2,-0.4 -0.901 83.3 -58.8-162.5-173.4 14.1 -16.5 -21.5 38 39 A D > - 0 0 24 -2,-0.3 4,-1.7 38,-0.2 3,-0.2 -0.706 38.8-141.2 -85.3 131.9 13.2 -17.3 -25.0 39 40 A A H > S+ 0 0 32 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.920 101.1 50.6 -57.5 -47.9 16.1 -17.1 -27.5 40 41 A T H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.819 104.4 59.2 -61.6 -32.9 14.0 -15.5 -30.3 41 42 A L H > S+ 0 0 8 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.965 111.5 39.9 -60.9 -50.3 12.7 -12.9 -27.9 42 43 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 114.5 52.2 -64.5 -46.6 16.2 -11.7 -27.2 43 44 A T H X S+ 0 0 72 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.897 113.8 44.5 -56.6 -44.5 17.4 -12.0 -30.8 44 45 A N H X S+ 0 0 96 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.911 113.6 47.4 -69.2 -45.0 14.5 -10.0 -32.0 45 46 A R H X S+ 0 0 7 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.868 109.7 55.4 -66.6 -33.9 14.7 -7.2 -29.4 46 47 A A H ><>S+ 0 0 3 -4,-2.4 5,-2.4 -5,-0.2 3,-1.0 0.975 108.1 48.0 -61.1 -51.6 18.4 -7.0 -30.0 47 48 A A H ><5S+ 0 0 70 -4,-2.0 3,-2.3 1,-0.3 -2,-0.2 0.919 108.1 54.8 -53.6 -49.1 17.8 -6.4 -33.7 48 49 A M H 3<5S+ 0 0 109 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.773 110.2 47.1 -56.2 -28.9 15.1 -3.7 -32.9 49 50 A L T <<5S- 0 0 29 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.374 111.6-122.3 -94.7 4.5 17.7 -1.9 -30.8 50 51 A G T < 5 + 0 0 66 -3,-2.3 -3,-0.2 -4,-0.3 -2,-0.1 0.830 68.0 139.7 58.6 30.9 20.3 -2.2 -33.5 51 52 A L < - 0 0 53 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.864 53.5-118.9-110.1 141.5 22.5 -4.0 -30.9 52 53 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.468 35.3 171.1 -77.9 149.5 24.6 -7.1 -31.6 53 54 A L + 0 0 33 -2,-0.1 2,-0.4 16,-0.0 18,-0.2 -0.886 17.2 178.6-163.8 127.9 24.0 -10.4 -29.8 54 55 A T E -d 71 0A 100 16,-1.8 18,-1.1 -2,-0.3 2,-0.4 -0.999 22.7-146.7-129.6 128.2 25.2 -14.0 -30.1 55 56 A L E -d 72 0A 46 -2,-0.4 18,-0.2 16,-0.2 16,-0.0 -0.844 8.0-162.7-104.3 133.8 23.8 -16.5 -27.6 56 57 A R E -d 73 0A 63 16,-2.2 18,-2.9 -2,-0.4 2,-0.1 -0.889 31.2-106.1-110.2 144.6 25.7 -19.5 -26.2 57 58 A P E -d 74 0A 91 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.358 29.8-107.5 -71.1 144.9 23.8 -22.4 -24.6 58 59 A Y - 0 0 30 16,-2.3 6,-0.0 -23,-0.1 -24,-0.0 -0.617 40.0-172.3 -70.9 120.2 23.7 -22.9 -20.9 59 60 A S > - 0 0 47 -2,-0.5 3,-1.3 1,-0.1 -1,-0.1 -0.825 14.2-176.6-123.6 92.9 25.9 -26.0 -20.4 60 61 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.746 82.5 57.2 -56.7 -28.4 25.8 -27.3 -16.8 61 62 A N T 3 S+ 0 0 161 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.004 100.7 63.3 -98.1 29.8 28.4 -30.0 -17.6 62 63 A S S < S- 0 0 68 -3,-1.3 -3,-0.1 0, 0.0 0, 0.0 -0.945 97.4 -88.2-141.8 156.7 31.1 -27.7 -18.8 63 64 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.312 45.5-108.6 -67.0 155.4 32.9 -25.0 -16.9 64 65 A A - 0 0 8 -61,-0.4 -61,-0.3 -4,-0.1 -59,-0.1 -0.532 30.8-154.2 -81.3 152.5 31.4 -21.5 -16.7 65 66 A Q - 0 0 102 -2,-0.2 -32,-0.2 -61,-0.0 -34,-0.1 -0.985 27.2 -99.7-129.5 139.3 33.1 -18.7 -18.7 66 67 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 -34,-0.3 -0.249 50.6-102.0 -54.0 145.1 33.0 -15.0 -17.9 67 68 A Q - 0 0 0 -36,-2.2 -38,-1.8 -38,-0.2 -36,-0.1 -0.615 37.3-146.4 -78.5 114.2 30.5 -13.3 -20.2 68 69 A T > - 0 0 70 -2,-0.7 3,-1.6 -40,-0.2 -41,-0.2 -0.378 32.6 -82.0 -78.4 156.1 32.2 -11.5 -23.1 69 70 A A T 3 S+ 0 0 45 1,-0.3 -43,-0.3 -43,-0.2 -1,-0.1 -0.290 115.6 24.4 -58.7 135.1 30.8 -8.4 -24.7 70 71 A G T 3 S+ 0 0 14 -45,-3.4 -16,-1.8 1,-0.3 2,-0.3 0.479 110.5 89.8 88.4 4.9 28.0 -8.9 -27.2 71 72 A T E < - d 0 54A 20 -3,-1.6 2,-0.3 -46,-0.8 -1,-0.3 -0.870 46.6-175.8-133.2 164.9 27.0 -12.3 -25.8 72 73 A L E - d 0 55A 0 -18,-1.1 -16,-2.2 -2,-0.3 2,-0.4 -0.971 28.8-121.0-152.9 147.9 24.7 -13.9 -23.2 73 74 A T E -cd 34 56A 0 -40,-2.3 -38,-3.8 -2,-0.3 2,-0.5 -0.816 33.7-141.3 -95.1 138.0 24.4 -17.5 -22.0 74 75 A L E -cd 35 57A 15 -18,-2.9 -16,-2.3 -2,-0.4 -38,-0.2 -0.892 25.4-173.8-114.8 127.8 20.9 -18.9 -22.6 75 76 A L E -c 36 0A 15 -40,-2.8 -38,-0.5 -2,-0.5 28,-0.0 -0.874 41.3-132.2-108.5 91.4 18.7 -21.2 -20.5 76 77 A P E +c 37 0A 90 0, 0.0 2,-0.4 0, 0.0 -38,-0.2 -0.177 35.2 168.3 -56.8 130.6 15.8 -21.7 -22.9 77 78 A V - 0 0 10 -40,-1.2 2,-0.1 25,-0.0 22,-0.0 -0.975 33.0-124.9-140.6 122.5 12.2 -21.3 -22.0 78 79 A A - 0 0 67 -2,-0.4 2,-0.1 -40,-0.1 -40,-0.1 -0.431 17.3-122.2 -76.1 143.4 9.7 -21.2 -24.8 79 80 A L - 0 0 35 -2,-0.1 -1,-0.1 1,-0.1 13,-0.1 -0.452 9.1-140.8 -77.5 154.7 7.1 -18.4 -25.3 80 81 A R S S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 12,-0.1 0.836 82.5 6.3 -85.0 -35.3 3.5 -19.2 -25.3 81 82 A A S S- 0 0 31 8,-0.1 -1,-0.2 -3,-0.0 8,-0.1 -0.960 93.0 -76.2-145.3 160.7 2.7 -16.7 -28.1 82 83 A P - 0 0 120 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.204 50.9-127.4 -56.3 146.7 4.4 -14.3 -30.5 83 84 A V - 0 0 42 -70,-0.1 2,-0.5 -4,-0.0 5,-0.1 -0.832 22.9-174.5-109.2 138.7 5.7 -11.0 -28.9 84 85 A T B > -L 87 0B 103 3,-0.5 3,-2.7 -2,-0.4 -70,-0.1 -0.912 38.5-114.2-128.0 101.3 5.1 -7.4 -29.8 85 86 A A T 3 S+ 0 0 26 -2,-0.5 -70,-0.2 1,-0.3 -71,-0.1 0.016 100.4 16.9 -34.5 123.4 7.1 -4.9 -27.7 86 87 A G T 3 S+ 0 0 33 -72,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.302 105.6 96.2 93.4 -10.7 4.7 -2.8 -25.6 87 88 A Q B < -L 84 0B 50 -3,-2.7 -3,-0.5 213,-0.1 -1,-0.2 -0.962 66.9-136.2-118.1 128.0 1.7 -5.1 -26.0 88 89 A L - 0 0 64 -2,-0.5 2,-0.4 -5,-0.1 3,-0.1 -0.449 11.6-164.5 -80.7 153.3 0.7 -7.6 -23.4 89 90 A A > - 0 0 33 -2,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.911 13.8-148.0-139.7 106.6 -0.4 -11.2 -24.3 90 91 A V T > S+ 0 0 54 -2,-0.4 3,-2.2 1,-0.3 4,-0.3 0.824 95.1 59.3 -42.5 -46.9 -2.1 -13.0 -21.4 91 92 A E T >> S+ 0 0 103 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.835 93.8 65.1 -57.6 -32.8 -0.8 -16.4 -22.5 92 93 A N H <> S+ 0 0 3 -3,-1.7 4,-1.9 1,-0.3 -1,-0.3 0.491 80.7 84.2 -70.1 2.1 2.8 -15.3 -22.1 93 94 A G H <> S+ 0 0 0 -3,-2.2 4,-2.1 -4,-0.2 -1,-0.3 0.849 86.8 52.1 -70.5 -32.5 2.0 -14.9 -18.4 94 95 A H H <> S+ 0 0 54 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.837 106.0 56.9 -69.3 -32.9 2.8 -18.6 -18.0 95 96 A Y H X S+ 0 0 2 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.952 106.9 47.2 -61.6 -52.4 6.1 -18.0 -19.8 96 97 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.962 112.8 47.1 -55.6 -57.2 7.1 -15.4 -17.3 97 98 A V H X S+ 0 0 22 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.876 109.6 56.8 -53.8 -38.8 6.2 -17.4 -14.2 98 99 A E H X S+ 0 0 77 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 106.1 47.9 -59.5 -48.3 8.1 -20.4 -15.8 99 100 A T H X S+ 0 0 1 -4,-2.2 4,-2.6 -3,-0.3 5,-0.2 0.896 112.2 51.0 -60.4 -40.5 11.3 -18.4 -16.2 100 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.940 111.5 46.8 -61.9 -48.4 11.0 -17.3 -12.5 101 102 A A H X S+ 0 0 14 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.928 114.8 46.1 -59.0 -48.8 10.4 -20.9 -11.3 102 103 A R H X S+ 0 0 73 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.900 114.2 47.1 -63.4 -43.7 13.4 -22.2 -13.3 103 104 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.916 113.8 49.4 -65.0 -41.2 15.7 -19.5 -12.3 104 105 A C H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 3,-0.4 0.925 111.3 47.7 -64.2 -45.1 14.6 -19.9 -8.7 105 106 A D H X S+ 0 0 47 -4,-3.0 4,-2.5 1,-0.2 6,-0.3 0.816 107.1 59.1 -65.8 -29.6 15.1 -23.7 -8.7 106 107 A G H <>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.2 6,-1.7 0.852 107.8 44.5 -67.3 -34.1 18.5 -23.1 -10.3 107 108 A C H ><5S+ 0 0 11 -4,-1.4 3,-0.7 -3,-0.4 -2,-0.2 0.845 113.4 51.1 -76.9 -33.6 19.6 -21.1 -7.3 108 109 A L H 3<5S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.8 48.3 -69.7 -37.4 18.1 -23.6 -4.9 109 110 A N T 3<5S- 0 0 113 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.356 116.6-111.7 -84.1 4.0 20.0 -26.5 -6.7 110 111 A G T < 5S+ 0 0 62 -3,-0.7 -3,-0.2 2,-0.2 -4,-0.1 0.563 85.2 120.6 78.8 6.3 23.3 -24.6 -6.6 111 112 A E S - 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