==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-13 3WG6 . COMPND 2 MOLECULE: CONJUGATED POLYKETONE REDUCTASE C1; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA PARAPSILOSIS; . AUTHOR H.-M.QIN,A.YAMAMURA,T.MIYAKAWA,S.MARUOKA,J.OHTSUKA,K.NAGATA, . 1190 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 0 0.0 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 . 68 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.6 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 0 5 4 3 1 11 8 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 16 5 4 7 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 6 A K 0 0 168 0, 0.0 12,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 11.3 3.2 33.0 -76.2 2 7 A E E -A 12 0A 116 10,-0.3 2,-0.3 11,-0.2 8,-0.0 -0.989 360.0-133.3-153.5 159.4 1.4 32.3 -72.9 3 8 A F E -A 11 0A 41 8,-2.5 8,-2.3 -2,-0.3 2,-0.5 -0.777 23.3-130.0-105.4 163.0 1.6 31.0 -69.4 4 9 A K E -A 10 0A 144 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.973 22.7-139.6-111.8 123.8 -0.8 28.5 -67.8 5 10 A L > - 0 0 6 4,-3.3 3,-1.7 -2,-0.5 196,-0.1 -0.129 31.0 -94.8 -72.2 168.3 -2.3 29.5 -64.4 6 11 A S T 3 S+ 0 0 65 194,-0.3 -1,-0.1 169,-0.3 195,-0.1 0.807 125.8 49.3 -47.1 -44.9 -2.8 27.2 -61.4 7 12 A N T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.304 123.0-103.4 -86.0 4.4 -6.5 26.5 -62.4 8 13 A G S < S+ 0 0 37 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.266 78.6 134.5 97.2 -12.5 -5.5 25.8 -66.0 9 14 A N - 0 0 65 -5,-0.1 -4,-3.3 141,-0.1 -1,-0.3 -0.458 52.0-126.9 -72.7 142.7 -6.6 29.1 -67.5 10 15 A K E -A 4 0A 114 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.637 19.5-165.7 -96.2 151.1 -4.1 30.7 -69.9 11 16 A I E -A 3 0A 0 -8,-2.3 -8,-2.5 -2,-0.2 37,-0.1 -1.000 31.9-107.2-136.7 127.1 -2.7 34.2 -69.7 12 17 A P E -A 2 0A 26 0, 0.0 -10,-0.3 0, 0.0 -8,-0.0 -0.397 30.4-126.6 -65.4 144.4 -0.9 35.9 -72.5 13 18 A A S S+ 0 0 4 -12,-2.3 2,-0.3 -2,-0.1 -11,-0.2 0.409 87.3 41.3 -79.5 -3.5 2.8 36.1 -71.7 14 19 A V S S- 0 0 8 -13,-0.3 33,-0.4 235,-0.2 2,-0.4 -0.991 70.8-159.5-133.4 147.3 3.4 39.9 -72.2 15 20 A A E -b 251 0B 0 235,-1.8 237,-2.2 -2,-0.3 2,-0.6 -0.920 16.1-134.6-126.8 151.1 1.1 42.6 -71.1 16 21 A F E -bc 252 49B 2 32,-3.1 34,-2.8 -2,-0.4 237,-0.2 -0.907 31.1-143.3 -99.2 121.8 0.7 46.3 -72.1 17 22 A G E - c 0 50B 5 235,-3.9 237,-0.3 -2,-0.6 34,-0.2 -0.539 21.0-168.3 -89.4 154.8 0.3 48.4 -69.0 18 23 A T + 0 0 0 32,-2.1 34,-0.1 -2,-0.2 2,-0.1 0.054 68.7 71.1-125.9 21.0 -1.9 51.5 -68.5 19 24 A G S > S+ 0 0 3 4,-0.1 3,-2.6 31,-0.1 4,-0.1 -0.188 82.4 38.0-108.4-147.9 -0.4 52.8 -65.2 20 25 A T G > S+ 0 0 78 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 -0.241 128.4 26.6 39.7-103.8 3.0 54.4 -64.5 21 26 A K G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.1 0.738 135.1 36.8 -47.1 -37.3 3.4 56.6 -67.6 22 27 A Y G < S+ 0 0 14 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.405 82.1 129.5-102.2 0.3 -0.4 56.9 -68.1 23 28 A F < - 0 0 45 -3,-1.6 2,-0.2 1,-0.1 33,-0.2 -0.411 63.3-118.0 -67.9 124.9 -1.5 57.1 -64.4 24 29 A K - 0 0 19 31,-2.6 2,-0.5 -2,-0.2 -1,-0.1 -0.485 26.8-166.3 -71.3 134.1 -3.9 60.0 -64.0 25 30 A R S S- 0 0 183 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.945 70.2 -26.1-126.5 100.0 -2.7 62.8 -61.7 26 31 A G S S+ 0 0 89 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.867 119.0 73.2 59.0 44.1 -5.4 65.3 -60.7 27 32 A H - 0 0 97 2,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.926 55.2-157.0-167.8 163.8 -7.7 65.0 -63.8 28 33 A N + 0 0 130 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.232 48.4 135.6-130.3 9.4 -10.2 62.5 -65.2 29 34 A D - 0 0 112 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.175 66.1 -94.8 -54.4 147.2 -10.1 63.6 -68.9 30 35 A L - 0 0 90 1,-0.1 2,-1.1 29,-0.1 -1,-0.1 -0.471 29.8-134.7 -65.7 135.9 -9.9 61.0 -71.6 31 36 A D > - 0 0 41 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 -0.802 23.5-175.8 -91.9 93.2 -6.2 60.3 -72.6 32 37 A K H > S+ 0 0 139 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.820 80.1 54.3 -62.9 -38.3 -6.7 60.2 -76.4 33 38 A Q H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 108.0 51.2 -60.5 -48.0 -3.1 59.2 -77.1 34 39 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.924 108.1 49.6 -55.1 -49.5 -3.4 56.3 -74.8 35 40 A I H X S+ 0 0 19 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.927 112.8 49.7 -56.3 -46.8 -6.6 55.0 -76.5 36 41 A G H X S+ 0 0 37 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.922 112.2 46.4 -51.3 -51.5 -4.7 55.4 -79.9 37 42 A T H X S+ 0 0 20 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.870 109.5 54.6 -69.0 -39.8 -1.7 53.5 -78.6 38 43 A L H X S+ 0 0 2 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.899 108.8 49.3 -58.6 -42.1 -4.0 50.7 -77.1 39 44 A E H X S+ 0 0 36 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.939 111.9 47.6 -61.1 -48.4 -5.6 50.3 -80.5 40 45 A L H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 50.0 -58.9 -47.9 -2.2 50.0 -82.2 41 46 A A H X>S+ 0 0 0 -4,-3.0 5,-2.8 2,-0.2 4,-1.2 0.905 113.4 44.5 -57.9 -45.9 -1.0 47.5 -79.6 42 47 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.968 114.6 48.1 -65.5 -51.1 -4.0 45.3 -79.9 43 48 A R H 3<5S+ 0 0 144 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.850 109.9 54.4 -62.0 -29.6 -4.0 45.4 -83.7 44 49 A S H 3<5S- 0 0 41 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.731 133.4 -84.8 -76.4 -20.6 -0.2 44.7 -83.6 45 50 A G T <<5S+ 0 0 33 -4,-1.2 -3,-0.2 -3,-1.0 2,-0.2 0.424 78.7 138.8 132.8 0.8 -0.8 41.5 -81.5 46 51 A F < + 0 0 5 -5,-2.8 -1,-0.3 -6,-0.1 -31,-0.1 -0.487 17.0 172.3 -61.5 141.3 -1.0 42.4 -77.8 47 52 A R + 0 0 81 -33,-0.4 29,-1.7 1,-0.2 2,-0.3 0.064 58.3 67.6-141.3 17.6 -3.8 40.4 -76.1 48 53 A H E - d 0 76B 0 27,-0.2 -32,-3.1 -34,-0.1 2,-0.5 -0.917 56.2-176.6-150.5 111.3 -3.2 41.3 -72.4 49 54 A I E -cd 16 77B 1 27,-2.3 29,-2.1 -2,-0.3 2,-0.6 -0.954 16.2-145.2-113.9 133.2 -3.7 44.8 -71.0 50 55 A D E +cd 17 78B 5 -34,-2.8 -32,-2.1 -2,-0.5 2,-0.2 -0.881 31.6 157.8-102.5 115.2 -2.8 45.6 -67.4 51 56 A G - 0 0 0 27,-1.8 2,-0.3 -2,-0.6 -32,-0.1 -0.598 19.0-165.7-124.0-175.3 -5.2 48.1 -65.7 52 57 A A >>> - 0 0 0 27,-0.2 3,-0.9 -2,-0.2 4,-0.7 -0.913 34.6-114.7-169.7 146.2 -6.3 49.3 -62.2 53 58 A E G >45S+ 0 0 28 27,-2.3 3,-1.0 -2,-0.3 5,-0.2 0.923 115.7 53.8 -47.8 -47.2 -9.0 51.3 -60.5 54 59 A I G 345S+ 0 0 55 26,-0.4 -1,-0.2 1,-0.3 -30,-0.1 0.762 95.4 68.0 -71.6 -20.8 -6.4 53.8 -59.3 55 60 A Y G <45S- 0 0 20 -3,-0.9 -31,-2.6 -32,-0.1 -1,-0.3 0.825 88.1-143.5 -64.2 -34.8 -4.9 54.5 -62.8 56 61 A G T <<5S+ 0 0 35 -3,-1.0 4,-0.2 -4,-0.7 3,-0.2 0.601 72.8 106.2 77.5 15.4 -8.1 56.2 -64.1 57 62 A T >< + 0 0 0 -5,-0.5 4,-2.0 1,-0.2 5,-0.2 0.404 37.3 102.1-109.0 7.4 -7.5 54.5 -67.5 58 63 A N H > S+ 0 0 5 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.848 80.4 54.8 -62.2 -38.0 -10.2 51.9 -67.5 59 64 A K H > S+ 0 0 88 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.936 106.4 52.0 -57.2 -49.9 -12.4 53.9 -69.8 60 65 A E H > S+ 0 0 0 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 108.0 51.7 -49.9 -45.2 -9.6 54.2 -72.3 61 66 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.939 110.2 48.7 -61.2 -43.3 -9.1 50.4 -72.3 62 67 A G H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.892 111.3 48.8 -67.8 -38.4 -12.8 49.9 -72.9 63 68 A I H X S+ 0 0 66 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.939 112.1 48.7 -64.3 -48.5 -12.9 52.3 -75.9 64 69 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.901 112.3 49.5 -57.2 -46.0 -9.8 50.8 -77.5 65 70 A L H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.2 5,-0.4 0.893 112.5 47.0 -59.7 -45.9 -11.4 47.3 -77.1 66 71 A K H < S+ 0 0 142 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.945 112.4 50.2 -63.0 -47.0 -14.7 48.5 -78.6 67 72 A N H < S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.5 40.5 -62.0 -36.7 -12.8 50.2 -81.5 68 73 A V H < S- 0 0 27 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.904 88.7-157.6 -78.0 -44.2 -10.7 47.1 -82.3 69 74 A G < + 0 0 55 -4,-2.5 2,-0.1 -5,-0.2 -3,-0.1 0.893 20.9 172.4 67.1 37.7 -13.5 44.6 -81.8 70 75 A L - 0 0 53 -5,-0.4 -1,-0.2 1,-0.1 5,-0.1 -0.529 51.3 -83.9 -61.2 147.6 -11.3 41.5 -81.2 71 76 A N > - 0 0 110 -2,-0.1 3,-1.6 1,-0.1 4,-0.5 -0.339 40.6-129.1 -48.2 129.6 -13.2 38.4 -80.0 72 77 A R G > S+ 0 0 60 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.818 105.5 59.7 -57.3 -36.2 -13.7 38.9 -76.2 73 78 A K G 3 S+ 0 0 168 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.591 100.7 57.2 -70.2 -13.5 -12.3 35.4 -75.5 74 79 A D G < S+ 0 0 76 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.602 95.7 76.0 -98.1 -11.4 -9.1 36.3 -77.1 75 80 A V < - 0 0 5 -3,-1.0 2,-0.5 -4,-0.5 -27,-0.2 -0.767 64.5-152.9-105.1 146.0 -8.3 39.3 -74.9 76 81 A F E -d 48 0B 10 -29,-1.7 -27,-2.3 -2,-0.3 2,-0.5 -0.953 13.8-170.3-120.8 113.0 -7.1 39.2 -71.3 77 82 A I E -d 49 0B 0 -2,-0.5 39,-2.3 -29,-0.2 38,-1.8 -0.903 3.6-165.2-111.1 129.3 -8.0 42.2 -69.1 78 83 A T E +de 50 116B 0 -29,-2.1 -27,-1.8 -2,-0.5 2,-0.3 -0.896 10.9 171.9-111.0 137.0 -6.5 42.9 -65.7 79 84 A D E - e 0 117B 0 37,-2.1 39,-2.0 -2,-0.4 2,-0.4 -0.916 14.9-148.8-134.5 167.8 -8.0 45.3 -63.2 80 85 A K E - e 0 118B 0 -2,-0.3 -27,-2.3 37,-0.2 -26,-0.4 -0.996 17.8-117.5-146.6 136.0 -7.1 46.0 -59.5 81 86 A Y E - e 0 119B 2 37,-2.9 39,-1.6 -2,-0.4 2,-1.6 -0.550 31.3-124.9 -73.8 127.2 -8.8 47.1 -56.4 82 87 A N + 0 0 11 -2,-0.4 11,-2.9 1,-0.2 -1,-0.1 -0.520 40.4 168.7 -72.5 91.5 -7.4 50.3 -55.1 83 88 A S - 0 0 0 -2,-1.6 -1,-0.2 1,-0.2 2,-0.1 0.717 40.3-116.0 -89.1 -14.7 -6.6 49.1 -51.6 84 89 A G - 0 0 5 -3,-0.1 39,-0.4 8,-0.1 -1,-0.2 -0.431 33.8 -63.3 110.4 171.7 -4.5 52.1 -50.4 85 90 A N > - 0 0 66 6,-0.4 3,-2.0 -2,-0.1 4,-0.2 -0.395 53.7 -88.8 -96.6 178.1 -0.9 52.6 -49.4 86 91 A H T 3 S+ 0 0 39 1,-0.3 1031,-0.1 2,-0.1 1032,-0.1 0.493 116.1 71.7 -65.7 -8.6 1.2 51.3 -46.6 87 92 A T T 3 S- 0 0 15 1030,-0.1 1031,-0.4 1026,-0.1 -1,-0.3 0.589 91.3-140.0 -76.2 -10.3 0.2 54.1 -44.2 88 93 A Y < + 0 0 73 -3,-2.0 -2,-0.1 1,-0.1 -4,-0.0 0.895 49.9 151.0 44.0 45.6 -3.4 52.7 -43.8 89 94 A D - 0 0 71 -4,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.504 64.1-112.3 -82.3 -3.5 -4.5 56.4 -44.0 90 95 A G S S+ 0 0 38 -5,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.513 76.3 132.1 81.3 7.5 -7.9 55.5 -45.5 91 96 A K + 0 0 143 -6,-0.1 -6,-0.4 -8,-0.0 -1,-0.2 -0.749 44.6 90.0 -95.3 96.5 -7.0 57.2 -48.9 92 97 A H S S+ 0 0 30 -2,-1.1 -9,-0.2 1,-0.3 -8,-0.1 -0.632 72.4 4.6-158.4-160.1 -8.2 54.4 -51.3 93 98 A S - 0 0 8 -11,-2.9 -1,-0.3 -2,-0.2 -12,-0.0 -0.163 52.3-143.2 -40.8 139.5 -11.1 53.0 -53.4 94 99 A K S S+ 0 0 188 -3,-0.1 -1,-0.1 7,-0.0 2,-0.1 0.561 77.8 87.6 -83.9 -9.0 -14.1 55.4 -53.2 95 100 A H S S- 0 0 49 1,-0.1 6,-0.1 2,-0.1 -3,-0.0 -0.395 88.9-115.0 -89.8 164.0 -16.4 52.2 -53.2 96 101 A Q S S- 0 0 170 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.752 88.0 -7.4 -80.3 -21.5 -17.4 50.3 -50.1 97 102 A N S > S- 0 0 17 1,-0.1 4,-1.9 42,-0.0 5,-0.2 -0.973 75.8 -93.2-164.5 169.3 -15.6 47.0 -51.0 98 103 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.882 120.5 56.3 -64.9 -32.4 -13.7 45.3 -53.8 99 104 A Y H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.962 110.6 42.7 -60.1 -50.7 -16.8 43.6 -55.2 100 105 A N H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.831 113.5 54.4 -63.7 -32.4 -18.6 47.0 -55.6 101 106 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.949 107.5 48.6 -66.2 -47.9 -15.4 48.5 -57.0 102 107 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.841 110.4 53.2 -60.2 -34.0 -15.0 45.8 -59.7 103 108 A K H X S+ 0 0 89 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.941 110.4 45.2 -66.4 -50.5 -18.7 46.4 -60.6 104 109 A A H X S+ 0 0 30 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.911 113.3 51.3 -57.6 -40.7 -18.2 50.1 -61.1 105 110 A D H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.916 103.4 58.2 -65.4 -42.8 -14.9 49.4 -63.1 106 111 A L H X>S+ 0 0 10 -4,-2.6 5,-1.6 1,-0.2 4,-1.4 0.877 104.4 52.3 -53.3 -39.2 -16.8 47.0 -65.4 107 112 A E H <5S+ 0 0 159 -4,-1.5 3,-0.3 2,-0.2 -1,-0.2 0.920 110.3 47.4 -61.8 -41.5 -19.1 49.8 -66.3 108 113 A D H <5S+ 0 0 67 -4,-1.7 -2,-0.2 1,-0.2 -46,-0.2 0.867 115.5 46.5 -62.9 -37.0 -16.1 52.0 -67.2 109 114 A L H <5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.683 100.5-135.5 -78.2 -22.0 -14.7 49.1 -69.2 110 115 A G T <5 + 0 0 42 -4,-1.4 2,-0.3 -3,-0.3 -3,-0.2 0.826 63.8 126.4 63.9 33.8 -18.0 48.3 -71.0 111 116 A L < - 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