==== 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 23-JUN-03 1PTM . 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,MONTREAL- . 657 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 11.7 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 . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 8 0 2 0 4 2 2 2 0 0 0 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 9 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 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 1 A X 0 0 240 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.1 41.8 -21.4 -7.2 2 2 A V - 0 0 136 3,-0.0 2,-0.3 0, 0.0 3,-0.0 -0.655 360.0-121.2-115.4 172.3 38.2 -20.3 -7.7 3 3 A K - 0 0 169 -2,-0.2 2,-0.2 61,-0.0 0, 0.0 -0.894 34.2 -99.8-114.9 146.3 35.7 -21.3 -10.3 4 4 A T - 0 0 50 -2,-0.3 61,-0.4 61,-0.3 2,-0.2 -0.483 46.8-133.6 -62.8 132.7 33.9 -18.8 -12.6 5 5 A Q - 0 0 44 26,-0.4 28,-2.4 -2,-0.2 2,-0.4 -0.606 9.8-142.6 -91.6 152.4 30.5 -18.2 -11.1 6 6 A R E -a 33 0A 34 -2,-0.2 108,-3.3 26,-0.2 109,-0.5 -0.891 12.0-169.5-111.0 145.0 27.2 -18.3 -12.9 7 7 A V E -a 34 0A 0 26,-2.1 28,-2.9 -2,-0.4 2,-0.4 -0.940 18.2-134.5-127.5 147.0 24.3 -15.9 -12.1 8 8 A V E -ab 35 116A 0 107,-2.7 109,-2.3 -2,-0.4 2,-0.4 -0.903 17.1-162.0-106.7 138.1 20.8 -16.4 -13.6 9 9 A I E -ab 36 117A 0 26,-3.0 28,-2.4 -2,-0.4 109,-0.2 -0.974 7.7-161.2-121.3 129.2 18.9 -13.4 -15.0 10 10 A T E - b 0 118A 0 107,-1.9 109,-3.2 -2,-0.4 28,-0.1 -0.924 5.8-159.9-109.4 110.8 15.2 -13.3 -15.7 11 11 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.807 32.2-155.9 -57.3 -28.7 14.3 -10.5 -18.2 12 12 A G + 0 0 1 6,-0.1 109,-0.3 85,-0.1 88,-0.1 -0.671 56.9 32.1 92.4-143.0 10.7 -10.6 -16.9 13 13 A E S > S- 0 0 3 107,-2.1 3,-1.6 -2,-0.3 5,-0.4 -0.353 70.6-144.8 -55.8 118.7 7.6 -9.5 -18.9 14 14 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 0.805 97.4 47.4 -55.6 -36.1 8.5 -10.2 -22.6 15 15 A A T 3 S+ 0 0 1 71,-0.1 72,-2.7 72,-0.1 289,-0.2 0.456 105.2 75.4 -87.9 -0.7 6.7 -7.1 -23.9 16 16 A G S < S- 0 0 0 -3,-1.6 4,-0.4 70,-0.2 284,-0.2 -0.168 102.3 -84.8 -97.0-166.6 8.3 -4.8 -21.4 17 17 A I S > S+ 0 0 8 282,-2.3 4,-2.7 1,-0.2 5,-0.2 0.560 101.1 93.4 -82.1 -6.2 11.8 -3.3 -21.1 18 18 A G H > S+ 0 0 0 -5,-0.4 4,-2.5 102,-0.2 5,-0.2 0.934 88.6 44.6 -50.1 -53.9 13.3 -6.3 -19.4 19 19 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.896 112.8 53.0 -59.7 -38.2 14.6 -7.9 -22.6 20 20 A D H > S+ 0 0 0 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.936 111.1 46.2 -59.3 -49.2 15.8 -4.5 -23.9 21 21 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.883 110.5 52.0 -64.4 -39.4 17.8 -4.0 -20.7 22 22 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.895 109.6 49.5 -67.8 -35.3 19.3 -7.5 -20.7 23 23 A V H < S+ 0 0 0 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.879 112.7 48.8 -67.3 -36.0 20.4 -7.0 -24.4 24 24 A Q H >< S+ 0 0 40 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.919 107.5 54.1 -68.5 -42.1 22.0 -3.7 -23.2 25 25 A L H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.855 101.1 62.4 -55.9 -39.1 23.7 -5.4 -20.2 26 26 A A T 3< S+ 0 0 0 -4,-1.6 45,-2.6 1,-0.3 46,-0.8 0.572 81.0 81.6 -66.3 -12.5 25.2 -7.9 -22.7 27 27 A Q T < S+ 0 0 59 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.3 0.454 92.2 53.1 -76.2 0.8 27.2 -5.2 -24.5 28 28 A R S < S- 0 0 127 -3,-1.2 44,-0.2 44,-0.1 2,-0.2 -0.795 92.0 -94.4-127.4 174.2 29.9 -5.2 -21.9 29 29 A E - 0 0 117 -2,-0.3 40,-0.2 41,-0.1 -2,-0.1 -0.594 34.5-164.7 -87.6 151.1 32.1 -7.8 -20.2 30 30 A W - 0 0 11 38,-2.4 38,-0.2 -2,-0.2 4,-0.1 -0.981 26.3-135.9-134.6 148.6 31.3 -9.5 -17.0 31 31 A P S S+ 0 0 87 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 0.442 92.4 54.2 -80.0 -2.8 33.4 -11.6 -14.5 32 32 A V S S- 0 0 7 -28,-0.1 36,-2.4 36,-0.1 2,-0.4 -0.836 95.0-102.5-125.2 165.4 30.6 -14.1 -14.2 33 33 A E E -a 6 0A 1 -28,-2.4 -26,-2.1 -2,-0.3 2,-0.9 -0.771 33.1-140.0 -85.8 133.4 28.6 -16.1 -16.8 34 34 A L E -a 7 0A 0 -2,-0.4 40,-2.2 -28,-0.2 2,-0.8 -0.831 15.4-166.1 -98.5 101.6 25.2 -14.5 -17.3 35 35 A V E -ac 8 74A 0 -28,-2.9 -26,-3.0 -2,-0.9 2,-0.6 -0.792 8.6-159.3 -88.4 113.1 22.7 -17.4 -17.7 36 36 A V E -ac 9 75A 0 38,-4.2 40,-2.9 -2,-0.8 2,-1.1 -0.834 7.1-150.8 -99.4 121.2 19.6 -15.7 -19.1 37 37 A C E + c 0 76A 0 -28,-2.4 2,-0.3 -2,-0.6 67,-0.1 -0.788 56.8 88.4 -93.4 98.7 16.4 -17.7 -18.5 38 38 A A E S- c 0 77A 0 38,-1.2 40,-1.3 -2,-1.1 2,-0.4 -0.943 82.1 -59.7-169.0-173.7 14.2 -16.7 -21.4 39 39 A D > - 0 0 22 -2,-0.3 4,-1.6 38,-0.2 5,-0.2 -0.741 38.0-142.1 -89.3 129.4 13.1 -17.4 -25.0 40 40 A A H > S+ 0 0 33 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.919 99.6 50.3 -58.2 -46.7 16.0 -17.2 -27.5 41 41 A T H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.859 105.0 59.2 -62.7 -34.0 13.9 -15.6 -30.3 42 42 A L H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 111.1 40.1 -58.7 -48.2 12.7 -13.0 -27.9 43 43 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.940 115.6 51.0 -68.7 -44.9 16.2 -11.8 -27.1 44 44 A T H X S+ 0 0 75 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.926 114.1 44.6 -55.8 -48.6 17.4 -12.1 -30.8 45 45 A N H X S+ 0 0 103 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.933 113.9 48.1 -63.0 -49.2 14.4 -10.1 -32.0 46 46 A R H X S+ 0 0 6 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.900 109.6 53.4 -62.8 -39.4 14.6 -7.4 -29.4 47 47 A A H <>S+ 0 0 3 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.922 108.2 51.0 -60.2 -43.1 18.4 -7.0 -29.9 48 48 A A H ><5S+ 0 0 74 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.925 107.3 53.3 -61.2 -43.4 17.7 -6.5 -33.7 49 49 A X H 3<5S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.0 46.4 -60.2 -32.6 15.1 -3.8 -32.9 50 50 A L T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.438 111.9-121.4 -91.3 1.0 17.6 -1.9 -30.7 51 51 A G T < 5 + 0 0 68 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.755 68.6 134.4 66.3 25.4 20.3 -2.3 -33.4 52 52 A L < - 0 0 56 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.857 55.7-118.2-110.6 143.5 22.5 -4.1 -30.9 53 53 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.426 34.6 172.0 -76.5 150.9 24.5 -7.3 -31.6 54 54 A L - 0 0 37 -2,-0.1 2,-0.4 16,-0.0 18,-0.2 -0.877 15.8-177.7-164.0 125.8 23.9 -10.5 -29.7 55 55 A T E -d 72 0A 86 16,-1.9 18,-1.6 -2,-0.3 2,-0.4 -0.988 21.1-145.1-123.6 135.8 25.1 -14.0 -30.0 56 56 A L E -d 73 0A 44 -2,-0.4 18,-0.2 16,-0.2 -2,-0.0 -0.861 8.3-162.4-106.6 137.5 23.7 -16.6 -27.5 57 57 A R E -d 74 0A 64 16,-2.6 18,-3.0 -2,-0.4 2,-0.2 -0.896 31.6-103.6-112.7 145.4 25.7 -19.5 -26.1 58 58 A P E -d 75 0A 96 0, 0.0 2,-0.2 0, 0.0 18,-0.2 -0.499 28.7-110.4 -76.9 137.5 23.8 -22.5 -24.5 59 59 A Y - 0 0 31 16,-2.3 6,-0.0 -2,-0.2 -24,-0.0 -0.469 41.2-176.0 -59.1 123.2 23.6 -23.0 -20.8 60 60 A S > - 0 0 46 -2,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.739 14.9-177.9-133.4 83.9 25.9 -26.0 -20.3 61 61 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.712 81.6 59.9 -54.4 -25.5 25.9 -27.3 -16.7 62 62 A N T 3 S+ 0 0 164 2,-0.1 3,-0.0 0, 0.0 0, 0.0 -0.046 99.9 64.1 -98.0 31.3 28.4 -30.0 -17.6 63 63 A S S < S- 0 0 68 -3,-1.4 -3,-0.1 0, 0.0 2,-0.0 -0.957 98.7 -89.0-143.3 154.5 31.1 -27.7 -18.8 64 64 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.373 46.2-110.8 -66.1 147.3 32.9 -25.0 -16.8 65 65 A A - 0 0 9 -61,-0.4 -61,-0.3 -4,-0.1 -59,-0.1 -0.425 32.1-155.0 -73.0 155.6 31.3 -21.6 -16.7 66 66 A Q - 0 0 102 -2,-0.1 3,-0.1 -61,-0.0 -34,-0.1 -0.989 26.8 -96.9-133.6 142.2 33.1 -18.8 -18.6 67 67 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -34,-0.3 -0.274 50.0-103.7 -56.2 142.7 32.9 -15.1 -17.9 68 68 A Q - 0 0 0 -36,-2.4 -38,-2.4 -38,-0.2 2,-0.2 -0.581 35.8-146.1 -76.4 124.1 30.4 -13.4 -20.3 69 69 A T > - 0 0 67 -2,-0.4 3,-1.7 -40,-0.2 -41,-0.1 -0.566 31.9 -81.9 -89.5 152.1 32.0 -11.6 -23.2 70 70 A A T 3 S+ 0 0 44 1,-0.3 -43,-0.3 -2,-0.2 -1,-0.1 -0.149 115.0 23.2 -52.1 139.7 30.7 -8.4 -24.7 71 71 A G T 3 S+ 0 0 13 -45,-2.6 -16,-1.9 1,-0.2 2,-0.3 0.475 111.2 90.1 81.3 3.6 27.9 -8.9 -27.3 72 72 A T E < - d 0 55A 14 -3,-1.7 2,-0.3 -46,-0.8 -1,-0.2 -0.881 47.3-174.9-132.0 163.1 26.9 -12.3 -25.9 73 73 A L E - d 0 56A 0 -18,-1.6 -16,-2.6 -2,-0.3 2,-0.5 -0.971 27.5-121.9-148.5 155.6 24.7 -14.0 -23.3 74 74 A T E -cd 35 57A 0 -40,-2.2 -38,-4.2 -2,-0.3 2,-0.5 -0.875 33.4-146.0-101.9 132.6 24.3 -17.6 -22.1 75 75 A L E -cd 36 58A 17 -18,-3.0 -16,-2.3 -2,-0.5 -38,-0.2 -0.892 24.1-172.9-114.0 128.4 20.7 -18.9 -22.6 76 76 A L E -c 37 0A 15 -40,-2.9 -38,-1.2 -2,-0.5 2,-0.0 -0.933 40.9-130.3-108.6 100.3 18.7 -21.3 -20.5 77 77 A P E +c 38 0A 94 0, 0.0 2,-0.4 0, 0.0 -38,-0.2 -0.278 35.1 169.9 -64.3 135.7 15.7 -21.7 -22.9 78 78 A V - 0 0 12 -40,-1.3 2,-0.2 -2,-0.0 22,-0.1 -0.966 34.1-123.0-140.5 121.4 12.1 -21.3 -21.8 79 79 A A - 0 0 64 -2,-0.4 2,-0.1 -40,-0.1 -40,-0.1 -0.434 17.0-124.5 -74.1 139.9 9.5 -21.2 -24.6 80 80 A L - 0 0 31 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.423 9.1-142.1 -73.7 155.2 7.1 -18.4 -25.1 81 81 A R S S+ 0 0 111 1,-0.3 -1,-0.1 9,-0.1 12,-0.1 0.831 81.8 10.3 -87.6 -35.7 3.4 -19.3 -25.2 82 82 A A S S- 0 0 30 8,-0.1 -1,-0.3 -3,-0.0 8,-0.1 -0.962 92.3 -80.5-143.1 158.0 2.6 -16.7 -27.9 83 83 A P - 0 0 120 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.233 51.1-130.0 -55.8 144.1 4.4 -14.4 -30.3 84 84 A V - 0 0 41 -70,-0.1 2,-0.5 9,-0.0 5,-0.1 -0.831 22.8-173.8-108.5 140.6 5.5 -11.1 -28.7 85 85 A T B > -L 88 0B 102 3,-0.5 3,-2.3 -2,-0.4 220,-0.0 -0.993 37.8-112.1-126.3 119.9 5.1 -7.5 -29.7 86 86 A A T 3 S+ 0 0 27 -2,-0.5 -70,-0.2 1,-0.3 -71,-0.1 -0.258 101.6 18.9 -53.2 130.6 6.9 -4.9 -27.6 87 87 A G T 3 S+ 0 0 35 -72,-2.7 2,-0.5 1,-0.1 -1,-0.3 0.246 103.9 97.3 94.1 -14.4 4.5 -2.9 -25.6 88 88 A Q B < -L 85 0B 54 -3,-2.3 -3,-0.5 -72,-0.1 2,-0.2 -0.943 66.6-136.2-116.4 125.9 1.5 -5.2 -25.9 89 89 A L - 0 0 73 -2,-0.5 2,-0.5 -5,-0.1 -3,-0.0 -0.531 13.1-164.1 -77.9 138.9 0.6 -7.7 -23.1 90 90 A A > - 0 0 31 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.954 12.5-148.0-125.9 108.6 -0.3 -11.2 -24.1 91 91 A V T > S+ 0 0 60 -2,-0.5 3,-2.2 1,-0.3 4,-0.3 0.823 93.0 57.6 -44.2 -48.3 -2.1 -13.1 -21.4 92 92 A E T >> S+ 0 0 103 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.808 94.8 66.0 -58.8 -29.3 -0.8 -16.6 -22.3 93 93 A N H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.3 -1,-0.3 0.595 80.6 82.6 -70.1 -3.9 2.8 -15.4 -21.9 94 94 A G H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.3 -1,-0.3 0.880 88.7 51.7 -64.3 -36.3 2.0 -15.0 -18.3 95 95 A H H <> S+ 0 0 52 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.868 107.1 54.3 -66.4 -36.1 2.7 -18.7 -17.9 96 96 A Y H X S+ 0 0 2 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.937 106.3 51.2 -61.6 -49.2 6.1 -18.1 -19.6 97 97 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.944 113.0 43.8 -56.0 -51.2 7.1 -15.4 -17.2 98 98 A V H X S+ 0 0 19 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.882 108.9 58.6 -62.6 -38.6 6.3 -17.5 -14.1 99 99 A E H X S+ 0 0 83 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 107.5 46.4 -57.1 -45.6 8.0 -20.5 -15.7 100 100 A T H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.920 112.2 50.9 -63.8 -42.7 11.3 -18.5 -16.0 101 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.4 46.8 -59.0 -45.3 11.0 -17.3 -12.4 102 102 A A H X S+ 0 0 14 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.927 113.9 46.4 -62.7 -47.6 10.5 -20.9 -11.2 103 103 A R H X S+ 0 0 71 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.901 114.0 48.0 -63.9 -42.0 13.4 -22.3 -13.2 104 104 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.947 112.6 49.2 -64.3 -46.4 15.7 -19.5 -12.1 105 105 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.939 111.0 49.7 -58.3 -47.4 14.7 -19.9 -8.5 106 106 A D H X S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 6,-0.2 0.876 106.9 54.5 -61.3 -38.1 15.2 -23.7 -8.6 107 107 A G H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 6,-1.4 0.875 109.3 48.8 -63.2 -36.1 18.7 -23.3 -10.2 108 108 A C H <5S+ 0 0 10 -4,-1.8 3,-0.4 4,-0.2 -2,-0.2 0.895 113.1 46.9 -69.8 -37.1 19.6 -21.1 -7.3 109 109 A L H <5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 112.9 49.0 -73.0 -31.8 18.2 -23.6 -4.8 110 110 A N H <5S- 0 0 111 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.491 116.5-112.4 -83.7 -8.2 20.0 -26.5 -6.5 111 111 A G T <5S+ 0 0 61 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.613 84.2 121.4 87.6 9.4 23.3 -24.6 -6.6 112 112 A E S - 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