==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-10 3LXY . COMPND 2 MOLECULE: 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR B.NOCEK,N.MALTSEVA,K.KWON,W.ANDERSON,A.JOACHIMIAK,CENTER FOR . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 4 0 1 0 1 1 2 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 1 A M 0 0 119 0, 0.0 3,-0.0 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 131.3 6.5 15.5 37.8 2 2 A H + 0 0 100 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.833 360.0 39.0 -74.7 -29.8 4.0 17.5 35.6 3 3 A N - 0 0 140 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.958 68.1-163.9-121.0 138.5 4.0 20.5 38.1 4 4 A H - 0 0 47 -2,-0.4 111,-0.1 325,-0.2 109,-0.1 -0.979 8.5-148.2-123.3 137.7 6.9 22.1 40.1 5 5 A N - 0 0 54 -2,-0.4 109,-0.0 107,-0.4 108,-0.0 -0.031 33.7 -97.4 -85.2-169.2 6.7 24.4 43.1 6 6 A N S S+ 0 0 95 27,-0.0 28,-2.6 2,-0.0 2,-0.4 -0.067 89.3 94.8-109.7 32.9 9.1 27.2 44.1 7 7 A R E -a 34 0A 17 26,-0.2 108,-3.1 59,-0.1 109,-0.4 -0.989 49.1-169.6-127.4 132.3 11.1 25.3 46.7 8 8 A L E -a 35 0A 0 26,-2.8 28,-2.7 -2,-0.4 2,-0.5 -0.916 15.6-139.8-116.2 142.7 14.4 23.5 46.1 9 9 A V E -ab 36 117A 0 107,-2.4 109,-2.8 -2,-0.4 2,-0.4 -0.901 15.6-165.9-100.4 137.5 16.1 21.2 48.7 10 10 A I E -ab 37 118A 0 26,-2.6 28,-2.6 -2,-0.5 109,-0.2 -0.956 7.2-161.9-115.7 122.8 20.0 21.4 49.1 11 11 A T E - b 0 119A 0 107,-2.0 109,-3.4 -2,-0.4 28,-0.1 -0.973 3.8-162.0-100.5 112.9 21.9 18.7 50.9 12 12 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 31.3-160.2 -61.7 -26.8 25.3 20.2 51.9 13 13 A G + 0 0 1 25,-0.4 109,-0.2 6,-0.1 88,-0.0 -0.614 53.0 36.1 93.8-144.2 26.5 16.7 52.4 14 14 A E > - 0 0 3 107,-1.9 3,-1.5 -2,-0.3 5,-0.4 -0.325 67.3-149.1 -47.2 115.2 29.6 15.6 54.4 15 15 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 0.780 95.3 53.4 -67.5 -30.3 29.7 18.0 57.4 16 16 A A T 3 S+ 0 0 1 71,-0.1 72,-2.9 72,-0.1 289,-0.2 0.585 104.9 73.7 -73.5 -15.2 33.5 17.9 57.6 17 17 A G S < S- 0 0 0 -3,-1.5 4,-0.5 70,-0.2 284,-0.2 -0.067 101.5 -89.1 -86.4-167.2 33.8 18.8 53.9 18 18 A V S > S+ 0 0 1 282,-2.1 4,-2.5 1,-0.2 5,-0.2 0.519 98.4 94.2 -85.2 -8.4 33.3 21.9 51.9 19 19 A G H > S+ 0 0 0 -5,-0.4 4,-2.7 102,-0.2 -1,-0.2 0.939 87.6 47.8 -52.0 -45.1 29.6 21.4 51.2 20 20 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.948 111.3 50.6 -58.6 -47.7 28.6 23.5 54.2 21 21 A D H > S+ 0 0 3 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.890 112.1 48.2 -52.3 -45.0 31.1 26.3 53.1 22 22 A L H X S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 -1,-0.2 0.915 110.5 49.9 -70.3 -39.2 29.6 26.2 49.6 23 23 A A H X S+ 0 0 1 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.908 112.0 48.5 -61.8 -47.1 26.0 26.4 50.9 24 24 A I H < S+ 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.817 113.0 48.8 -62.0 -37.0 26.8 29.3 53.1 25 25 A T H >< S+ 0 0 49 -4,-1.8 3,-2.0 -5,-0.3 -2,-0.2 0.943 108.0 52.2 -72.5 -46.5 28.5 31.0 50.2 26 26 A L H >< S+ 0 0 1 -4,-3.4 3,-1.1 1,-0.3 -1,-0.2 0.800 101.4 65.5 -48.7 -32.7 25.6 30.4 47.8 27 27 A A T 3< S+ 0 0 0 -4,-1.2 45,-2.5 1,-0.3 46,-0.9 0.572 78.3 82.1 -75.5 -11.9 23.5 32.0 50.5 28 28 A Q T < S+ 0 0 60 -3,-2.0 2,-0.3 43,-0.3 -1,-0.3 0.436 91.9 57.2 -75.9 1.6 25.2 35.5 50.0 29 29 A Q S < S- 0 0 91 -3,-1.1 44,-0.2 44,-0.1 2,-0.1 -0.917 90.1-100.3-126.7 164.9 22.9 36.2 47.1 30 30 A D - 0 0 93 -2,-0.3 40,-0.2 41,-0.1 39,-0.1 -0.447 34.1-162.8 -72.3 146.2 19.3 36.4 46.3 31 31 A W - 0 0 14 38,-2.6 4,-0.1 2,-0.2 40,-0.0 -0.928 25.4-132.9-130.9 155.2 17.5 33.5 44.6 32 32 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 36,-0.2 0.634 92.2 49.0 -84.0 -15.9 14.1 33.3 42.8 33 33 A V S S- 0 0 6 36,-0.1 36,-2.5 35,-0.1 2,-0.5 -0.740 96.7 -94.2-112.4 168.8 13.2 30.2 44.7 34 34 A E E -a 7 0A 10 -28,-2.6 -26,-2.8 34,-0.3 2,-0.8 -0.722 33.7-143.7 -82.4 128.4 13.2 29.2 48.4 35 35 A L E -a 8 0A 0 -2,-0.5 40,-2.6 32,-0.2 2,-0.8 -0.831 14.7-169.4 -96.4 100.6 16.4 27.3 49.3 36 36 A V E -ac 9 75A 0 -28,-2.7 -26,-2.6 -2,-0.8 2,-0.6 -0.828 8.1-161.5 -92.4 109.4 15.5 24.6 51.9 37 37 A V E -ac 10 76A 0 38,-3.0 40,-2.9 -2,-0.8 2,-0.9 -0.858 8.1-152.8 -98.1 117.3 18.8 23.3 53.3 38 38 A C E + c 0 77A 0 -28,-2.6 -25,-0.4 -2,-0.6 2,-0.3 -0.856 54.5 97.7 -93.4 106.4 18.6 19.9 54.9 39 39 A A E S- c 0 78A 0 38,-1.0 40,-1.7 -2,-0.9 -2,-0.1 -0.945 82.3 -65.8-174.6 173.6 21.5 20.1 57.4 40 40 A D > - 0 0 10 -2,-0.3 4,-1.6 38,-0.2 40,-0.1 -0.725 39.9-149.3 -84.0 124.6 22.5 20.7 61.0 41 41 A P H > S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.866 93.8 56.3 -68.1 -36.6 21.8 24.4 61.7 42 42 A A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 107.5 52.7 -56.5 -42.5 24.7 24.8 64.3 43 43 A L H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 108.6 47.1 -59.9 -48.1 27.1 23.5 61.6 44 44 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.930 114.9 45.9 -65.3 -42.6 26.0 26.0 59.0 45 45 A L H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.864 115.3 46.8 -69.0 -35.5 26.2 28.9 61.4 46 46 A A H X S+ 0 0 50 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.889 111.9 49.7 -74.0 -41.4 29.6 27.9 62.8 47 47 A R H X S+ 0 0 3 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.917 109.8 53.2 -63.2 -37.8 31.0 27.3 59.3 48 48 A A H <>S+ 0 0 3 -4,-2.4 5,-2.7 -5,-0.2 4,-0.3 0.871 109.7 48.4 -64.2 -40.6 29.6 30.8 58.4 49 49 A S H ><5S+ 0 0 85 -4,-1.7 3,-1.6 3,-0.2 -2,-0.2 0.946 108.4 52.4 -59.3 -52.5 31.5 32.2 61.4 50 50 A Q H 3<5S+ 0 0 94 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 115.7 42.8 -51.7 -36.7 34.7 30.3 60.4 51 51 A L T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.430 109.7-122.8 -91.4 0.8 34.4 31.9 56.9 52 52 A N T < 5 + 0 0 152 -3,-1.6 -3,-0.2 -4,-0.3 -4,-0.1 0.847 67.9 130.1 56.0 41.2 33.4 35.4 58.1 53 53 A L < - 0 0 55 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.959 58.0-116.9-121.5 141.1 30.1 35.5 56.2 54 54 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.401 33.8 177.5 -76.6 153.2 26.7 36.4 57.7 55 55 A L - 0 0 29 -2,-0.1 2,-0.4 16,-0.1 18,-0.2 -0.887 18.1-176.1-162.5 124.7 23.9 33.9 57.9 56 56 A Q E -d 73 0A 112 16,-2.0 18,-1.6 -2,-0.3 2,-0.4 -0.989 20.6-147.4-115.9 129.2 20.3 33.8 59.3 57 57 A L E -d 74 0A 34 -2,-0.4 2,-0.4 16,-0.2 18,-0.2 -0.870 6.8-152.9 -98.0 132.4 18.4 30.5 59.1 58 58 A R E -d 75 0A 88 16,-2.3 18,-3.0 -2,-0.4 2,-0.1 -0.903 27.0-110.5-102.3 134.3 14.6 30.6 58.6 59 59 A E E -d 76 0A 125 -2,-0.4 2,-0.4 16,-0.2 18,-0.2 -0.367 34.6-113.4 -65.9 142.1 12.6 27.7 59.9 60 60 A Y - 0 0 28 16,-2.1 2,-0.6 -23,-0.1 -1,-0.1 -0.554 31.0-170.9 -77.6 127.6 11.2 25.6 57.1 61 61 A Q > - 0 0 103 -2,-0.4 3,-2.0 1,-0.1 -1,-0.1 -0.883 5.4-169.8-121.4 94.9 7.4 25.9 57.1 62 62 A A T 3 S+ 0 0 56 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.853 85.0 53.5 -56.5 -35.5 6.0 23.3 54.6 63 63 A D T 3 S+ 0 0 137 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.392 96.1 85.1 -83.5 0.4 2.5 24.7 54.7 64 64 A Q S < S- 0 0 94 -3,-2.0 2,-0.1 1,-0.1 3,-0.1 -0.651 90.8 -92.9 -94.3 162.8 3.5 28.2 53.9 65 65 A P - 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.453 51.7 -97.0 -68.8 145.0 4.1 29.8 50.5 66 66 A A - 0 0 36 -2,-0.1 2,-0.5 -4,-0.1 -59,-0.1 -0.327 35.4-149.1 -56.0 142.8 7.7 29.6 49.2 67 67 A I - 0 0 112 -3,-0.1 -32,-0.2 -61,-0.1 3,-0.1 -0.987 24.3-112.6-119.7 122.5 9.6 32.8 49.9 68 68 A A - 0 0 41 -2,-0.5 -34,-0.3 -36,-0.2 -35,-0.1 -0.273 46.3-103.6 -54.4 121.1 12.3 33.6 47.4 69 69 A Q - 0 0 3 -36,-2.5 -38,-2.6 -39,-0.1 2,-0.3 -0.270 35.6-141.9 -62.7 127.2 15.5 33.3 49.3 70 70 A Q > - 0 0 92 -40,-0.2 3,-1.6 1,-0.1 -40,-0.1 -0.666 27.7 -90.4 -92.9 145.4 17.2 36.5 50.4 71 71 A A T 3 S+ 0 0 52 -2,-0.3 -43,-0.3 1,-0.3 -41,-0.1 -0.184 114.6 30.0 -48.6 133.8 20.9 37.2 50.5 72 72 A G T 3 S+ 0 0 18 -45,-2.5 -16,-2.0 1,-0.2 2,-0.3 0.473 111.5 84.3 85.1 10.8 22.3 36.4 53.9 73 73 A S E < - d 0 56A 1 -3,-1.6 2,-0.3 -46,-0.9 -1,-0.2 -0.978 46.6-174.1-143.4 159.8 19.8 33.6 54.5 74 74 A L E - d 0 57A 1 -18,-1.6 -16,-2.3 -2,-0.3 2,-0.5 -0.916 31.7-119.7-133.6 164.6 18.9 30.0 54.0 75 75 A T E -cd 36 58A 4 -40,-2.6 -38,-3.0 -2,-0.3 2,-0.5 -0.909 36.9-140.0-108.7 120.8 15.6 28.1 55.0 76 76 A I E -cd 37 59A 7 -18,-3.0 -16,-2.1 -2,-0.5 -38,-0.2 -0.761 27.7-175.8 -94.5 133.8 16.5 25.4 57.4 77 77 A L E -c 38 0A 19 -40,-2.9 -38,-1.0 -2,-0.5 2,-0.1 -0.852 40.0-139.5-114.6 94.8 15.2 21.9 57.5 78 78 A P E +c 39 0A 51 0, 0.0 2,-0.3 0, 0.0 -38,-0.2 -0.294 34.6 165.7 -80.6 136.5 17.1 20.9 60.6 79 79 A V - 0 0 7 -40,-1.7 2,-0.2 -2,-0.1 -2,-0.1 -0.960 32.0-127.5-138.2 125.1 18.7 17.6 61.1 80 80 A K - 0 0 166 -2,-0.3 2,-0.1 -40,-0.1 -40,-0.1 -0.472 8.4-130.2 -83.3 138.6 21.2 17.2 64.0 81 81 A T - 0 0 32 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.388 13.5-141.3 -67.0 153.0 24.7 15.9 63.9 82 82 A A S S+ 0 0 80 11,-0.2 2,-0.3 1,-0.1 12,-0.1 0.763 81.5 28.6 -88.2 -30.0 25.4 13.3 66.5 83 83 A V S S- 0 0 51 8,-0.1 -1,-0.1 1,-0.0 8,-0.1 -0.880 97.8 -82.1-130.3 160.9 28.9 14.5 67.2 84 84 A N - 0 0 150 -2,-0.3 2,-0.5 1,-0.1 9,-0.1 -0.311 47.0-128.3 -56.8 139.8 30.8 17.7 67.1 85 85 A V - 0 0 40 -70,-0.1 -1,-0.1 -4,-0.0 5,-0.1 -0.856 21.3-171.5-102.7 131.6 32.1 18.6 63.6 86 86 A V > - 0 0 84 -2,-0.5 3,-2.3 3,-0.5 -2,-0.0 -0.965 32.8-115.3-118.4 116.3 35.7 19.5 63.0 87 87 A P T 3 S+ 0 0 37 0, 0.0 -70,-0.2 0, 0.0 -71,-0.1 -0.265 98.1 15.7 -58.0 138.2 36.4 20.8 59.5 88 88 A G T 3 S+ 0 0 22 -72,-2.9 2,-0.6 1,-0.1 -71,-0.1 0.228 103.6 104.0 88.7 -14.5 38.6 18.5 57.5 89 89 A K < - 0 0 155 -3,-2.3 -3,-0.5 -72,-0.1 -1,-0.1 -0.874 64.4-140.9-112.0 112.1 38.2 15.6 59.8 90 90 A L - 0 0 57 -2,-0.6 2,-0.3 -74,-0.1 3,-0.1 -0.378 19.3-170.6 -63.0 141.7 36.0 12.7 58.9 91 91 A D > - 0 0 66 1,-0.1 3,-2.7 -8,-0.1 4,-0.2 -0.881 22.9-154.5-143.8 111.6 33.9 11.3 61.8 92 92 A V G > S+ 0 0 64 -2,-0.3 3,-1.3 1,-0.3 4,-0.4 0.696 91.9 75.8 -50.0 -30.1 31.9 8.1 61.5 93 93 A G G 3 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.1 -11,-0.2 0.718 97.6 45.5 -55.0 -22.4 29.7 9.5 64.3 94 94 A N G <> S+ 0 0 3 -3,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.312 83.7 90.9-109.5 6.5 28.0 11.8 61.7 95 95 A S H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 5,-0.2 0.851 83.6 56.0 -74.5 -35.8 27.4 9.5 58.8 96 96 A H H > S+ 0 0 123 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.906 108.2 52.0 -59.5 -39.1 23.9 8.5 60.0 97 97 A Y H > S+ 0 0 7 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.890 107.2 50.3 -60.4 -44.2 23.3 12.2 59.9 98 98 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.969 114.2 44.1 -59.6 -54.2 24.5 12.6 56.3 99 99 A V H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.792 109.4 57.0 -63.6 -33.3 22.3 9.7 55.1 100 100 A E H X S+ 0 0 99 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.906 105.7 50.5 -62.6 -40.3 19.3 11.0 57.1 101 101 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.3 -2,-0.2 0.893 111.3 49.0 -70.0 -35.9 19.6 14.4 55.3 102 102 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.896 109.9 50.7 -61.7 -54.5 19.6 12.5 51.9 103 103 A A H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 114.0 45.8 -45.4 -49.6 16.5 10.3 52.9 104 104 A K H X S+ 0 0 96 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 114.5 45.4 -68.7 -42.0 14.6 13.4 53.8 105 105 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.923 114.3 49.4 -68.4 -40.1 15.5 15.4 50.8 106 106 A C H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.937 108.1 52.9 -66.6 -47.6 14.8 12.4 48.5 107 107 A D H X S+ 0 0 75 -4,-2.6 4,-1.9 1,-0.2 6,-0.3 0.897 111.8 47.7 -53.1 -42.0 11.4 11.8 50.1 108 108 A G H X>S+ 0 0 1 -4,-1.9 6,-2.2 2,-0.2 4,-1.6 0.826 110.0 49.7 -65.8 -42.0 10.5 15.4 49.5 109 109 A A H <5S+ 0 0 3 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.909 110.1 53.2 -67.7 -38.7 11.7 15.4 45.9 110 110 A I H <5S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.961 113.2 41.0 -56.6 -50.5 9.7 12.3 45.2 111 111 A S H <5S- 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.788 113.4-113.1 -78.5 -22.4 6.4 13.7 46.5 112 112 A G T <5S+ 0 0 24 -4,-1.6 -107,-0.4 2,-0.2 -3,-0.2 0.347 84.0 123.8 98.0 -1.2 6.9 17.1 44.9 113 113 A E S - 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