==== 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 09-JUN-04 1TKS . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.ECHT,S.BAUER,S.STEINBACHER,R.HUBER,A.BACHER,M.FISCHER . 392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 0 2 0 1 5 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 14 0 4 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 . 2 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 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 3 A N 0 0 199 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.8 -19.0 16.6 -20.7 2 4 A I + 0 0 47 1,-0.3 2,-0.4 183,-0.0 183,-0.3 0.610 360.0 56.0-128.7 -48.4 -17.5 14.4 -18.0 3 5 A F S S- 0 0 36 181,-0.1 -1,-0.3 1,-0.0 183,-0.2 -0.786 76.4-128.6 -99.2 134.2 -16.3 11.1 -19.5 4 6 A T - 0 0 26 181,-3.1 5,-0.0 -2,-0.4 -1,-0.0 -0.553 35.2 -99.6 -78.1 140.9 -13.8 11.0 -22.4 5 7 A P >> - 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.327 34.1-118.4 -58.7 141.6 -14.7 9.0 -25.5 6 8 A I H 3> S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 110.0 54.9 -53.3 -41.7 -13.0 5.6 -25.3 7 9 A E H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 111.1 44.8 -63.9 -36.8 -11.0 6.0 -28.5 8 10 A E H <> S+ 0 0 117 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.900 113.4 51.5 -70.9 -38.8 -9.4 9.3 -27.2 9 11 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 106.1 54.8 -63.5 -40.6 -8.8 7.6 -23.8 10 12 A L H X S+ 0 0 13 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.892 106.1 51.4 -61.7 -39.0 -7.1 4.7 -25.5 11 13 A E H X S+ 0 0 112 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.896 111.1 47.9 -65.0 -38.8 -4.7 7.0 -27.3 12 14 A A H <>S+ 0 0 6 -4,-1.7 5,-2.4 2,-0.2 -2,-0.2 0.937 113.5 47.6 -64.9 -45.6 -3.8 8.7 -24.0 13 15 A Y H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 23,-0.4 0.916 109.1 53.8 -60.6 -44.4 -3.4 5.3 -22.3 14 16 A K H 3<5S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.0 55.9 -59.9 -33.2 -1.2 4.2 -25.2 15 17 A N T 3<5S- 0 0 130 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.236 127.1 -98.3 -85.5 13.5 0.9 7.3 -24.7 16 18 A G T < 5S+ 0 0 3 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.654 76.6 141.9 82.0 15.2 1.6 6.3 -21.1 17 19 A E < - 0 0 74 -5,-2.4 19,-0.4 -6,-0.1 -1,-0.3 -0.547 51.0-116.3 -87.6 156.5 -1.0 8.6 -19.5 18 20 A F - 0 0 12 -2,-0.2 166,-0.5 17,-0.1 2,-0.4 -0.463 24.2-151.9 -82.6 162.1 -3.1 7.5 -16.5 19 21 A L E -A 34 0A 0 15,-2.0 15,-2.5 -2,-0.1 2,-0.6 -0.972 12.3-132.3-133.4 144.7 -6.8 7.2 -16.8 20 22 A I E -Ab 33 185A 0 164,-2.5 166,-2.7 -2,-0.4 2,-0.5 -0.914 29.5-160.8 -99.3 123.4 -9.3 7.7 -14.0 21 23 A V E -Ab 32 186A 0 11,-2.8 11,-1.8 -2,-0.6 2,-0.2 -0.932 13.5-179.8-117.1 125.2 -11.8 4.8 -14.1 22 24 A M E - b 0 187A 0 164,-2.1 166,-2.5 -2,-0.5 167,-0.1 -0.715 36.7-118.7-111.5 164.1 -15.2 4.6 -12.5 23 25 A D S S- 0 0 73 -2,-0.2 166,-1.9 164,-0.2 2,-0.2 0.939 84.8 -39.2 -68.1 -48.6 -17.7 1.7 -12.5 24 26 A D S S- 0 0 66 2,-0.2 -1,-0.1 164,-0.2 164,-0.1 -0.735 83.1 -61.5-155.0-158.3 -20.4 3.7 -14.4 25 27 A E S S+ 0 0 130 -2,-0.2 162,-0.0 -3,-0.1 -2,-0.0 0.582 82.8 126.9 -80.1 -7.4 -21.8 7.2 -14.4 26 28 A D > - 0 0 83 1,-0.2 3,-1.3 2,-0.1 145,-0.2 -0.192 59.7-139.0 -54.1 134.5 -23.0 7.2 -10.8 27 29 A R T 3 S+ 0 0 123 1,-0.2 144,-1.1 143,-0.1 145,-0.5 0.707 99.4 61.9 -68.9 -17.4 -21.8 10.1 -8.7 28 30 A E T 3 S+ 0 0 139 142,-0.2 -1,-0.2 143,-0.1 -2,-0.1 0.565 77.8 112.2 -86.2 -7.4 -21.2 7.9 -5.7 29 31 A N < - 0 0 25 -3,-1.3 142,-0.8 -5,-0.1 2,-0.4 -0.329 65.3-130.2 -65.5 147.9 -18.6 5.7 -7.5 30 32 A E B -H 170 0B 58 140,-0.2 2,-0.3 141,-0.1 140,-0.2 -0.797 24.0-129.0 -99.2 140.7 -15.0 5.8 -6.2 31 33 A G - 0 0 1 138,-2.3 129,-2.3 -2,-0.4 2,-0.4 -0.678 16.5-161.5 -99.0 146.0 -12.3 6.3 -8.8 32 34 A D E -AC 21 159A 17 -11,-1.8 -11,-2.8 -2,-0.3 2,-0.4 -0.908 19.9-126.0-120.1 147.4 -9.1 4.5 -9.5 33 35 A L E +AC 20 158A 0 125,-2.7 125,-1.4 -2,-0.4 2,-0.4 -0.790 33.8 178.7 -90.3 134.5 -6.0 5.5 -11.4 34 36 A I E +AC 19 157A 0 -15,-2.5 -15,-2.0 -2,-0.4 2,-0.3 -1.000 8.2 156.0-138.4 136.2 -5.1 3.0 -14.1 35 37 A M E - C 0 156A 0 121,-1.7 121,-1.9 -2,-0.4 2,-0.2 -0.935 51.5 -68.8-148.6 171.1 -2.2 3.0 -16.7 36 38 A A E >> - C 0 155A 0 -23,-0.4 3,-1.2 -19,-0.4 4,-0.6 -0.445 36.6-141.1 -67.3 129.6 -0.2 0.6 -18.7 37 39 A A G >4 S+ 0 0 0 117,-1.5 3,-0.9 1,-0.2 118,-0.2 0.887 99.6 54.6 -58.3 -41.0 2.1 -1.5 -16.6 38 40 A E G 34 S+ 0 0 59 116,-0.4 -1,-0.2 1,-0.2 66,-0.1 0.619 108.9 48.9 -71.0 -11.5 4.9 -1.5 -19.1 39 41 A L G <4 S+ 0 0 53 -3,-1.2 2,-0.5 -22,-0.1 -1,-0.2 0.469 77.1 119.5-107.7 -2.2 4.9 2.4 -19.3 40 42 A I << - 0 0 0 -3,-0.9 64,-0.2 -4,-0.6 2,-0.1 -0.506 44.3-168.0 -71.8 117.1 5.0 3.2 -15.5 41 43 A T > - 0 0 50 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.432 38.8 -98.3 -96.6 174.8 8.1 5.2 -14.6 42 44 A Q H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 126.1 48.6 -57.1 -48.8 9.6 6.1 -11.3 43 45 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 112.0 47.3 -58.8 -45.9 7.9 9.5 -11.5 44 46 A K H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.849 112.2 49.7 -68.2 -33.7 4.5 8.1 -12.5 45 47 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.893 109.5 51.7 -71.4 -38.0 4.7 5.5 -9.7 46 48 A A H X S+ 0 0 12 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.916 111.9 48.0 -62.0 -40.1 5.6 8.2 -7.2 47 49 A F H X S+ 0 0 50 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.942 111.3 49.4 -63.3 -49.6 2.5 10.1 -8.5 48 50 A L H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 6,-0.3 0.920 114.8 44.0 -56.7 -46.9 0.3 7.1 -8.2 49 51 A V H >< S+ 0 0 16 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.909 108.1 59.7 -66.3 -42.1 1.4 6.4 -4.6 50 52 A R H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.849 116.5 30.2 -55.0 -40.0 1.2 10.1 -3.7 51 53 A Y T 3< S+ 0 0 41 -4,-1.7 110,-2.3 -3,-0.2 -1,-0.2 0.273 115.6 64.2-107.6 12.6 -2.5 10.4 -4.5 52 54 A S B < S-I 160 0C 3 -3,-1.0 108,-0.2 -4,-0.4 4,-0.1 -0.632 95.0 -90.7-126.9-176.3 -3.7 6.8 -3.7 53 55 A S - 0 0 0 106,-1.3 -4,-0.1 -2,-0.2 107,-0.1 0.673 55.4-129.0 -67.6 -19.3 -4.1 4.2 -1.0 54 56 A G S S+ 0 0 0 -6,-0.3 2,-2.0 105,-0.2 -1,-0.1 0.349 76.3 121.0 85.4 -7.8 -0.6 3.0 -1.8 55 57 A Y - 0 0 1 104,-0.1 2,-0.3 237,-0.1 -1,-0.2 -0.537 52.4-168.7 -87.6 69.5 -1.9 -0.6 -2.1 56 58 A V - 0 0 0 -2,-2.0 67,-1.5 65,-0.2 2,-0.3 -0.474 4.5-168.3 -70.3 123.0 -0.6 -0.7 -5.7 57 59 A C E -dE 123 157A 7 100,-2.3 100,-2.5 -2,-0.3 -3,-0.0 -0.790 16.6-146.3-113.4 155.2 -1.8 -3.6 -7.7 58 60 A V E -d 124 0A 0 65,-2.5 67,-2.1 -2,-0.3 98,-0.2 -0.828 14.7-149.9-124.8 93.1 -0.8 -5.0 -11.1 59 61 A P E +d 125 0A 0 0, 0.0 96,-2.4 0, 0.0 2,-0.3 -0.401 24.9 169.0 -62.6 132.8 -3.6 -6.6 -13.1 60 62 A L E -dF 126 154A 0 65,-3.1 67,-3.5 94,-0.2 94,-0.2 -0.943 39.4 -96.7-139.6 157.1 -2.4 -9.4 -15.4 61 63 A S E > -d 127 0A 26 92,-1.0 4,-2.6 -2,-0.3 5,-0.2 -0.406 35.0-116.2 -72.6 155.4 -4.2 -12.1 -17.4 62 64 A E H > S+ 0 0 52 65,-1.5 4,-2.3 1,-0.2 5,-0.2 0.890 117.7 55.8 -58.5 -36.9 -4.5 -15.5 -15.8 63 65 A E H > S+ 0 0 168 64,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 109.3 44.2 -62.8 -43.1 -2.4 -16.8 -18.6 64 66 A R H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 111.8 52.9 -68.4 -42.9 0.4 -14.4 -17.9 65 67 A A H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 -2,-0.2 0.899 109.5 49.6 -59.4 -40.9 0.3 -14.9 -14.2 66 68 A N H ><5S+ 0 0 97 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.910 108.8 52.5 -64.5 -41.6 0.6 -18.7 -14.7 67 69 A Q H 3<5S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 111.6 45.9 -62.0 -36.6 3.6 -18.1 -17.0 68 70 A L T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 44,-0.1 -2,-0.2 0.382 115.1-118.6 -87.1 4.3 5.3 -16.0 -14.3 69 71 A E T < 5 + 0 0 115 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.936 63.4 147.3 57.0 49.9 4.4 -18.6 -11.7 70 72 A L < - 0 0 1 -5,-2.8 -1,-0.2 -6,-0.1 3,-0.1 -0.759 27.2-173.1-115.0 79.9 2.3 -16.2 -9.7 71 73 A P - 0 0 69 0, 0.0 11,-1.9 0, 0.0 4,-0.0 -0.276 38.6 -75.4 -72.2 160.0 -0.4 -18.4 -8.2 72 74 A P B -J 81 0D 60 0, 0.0 9,-0.3 0, 0.0 8,-0.1 -0.224 41.0-122.3 -54.1 142.7 -3.4 -17.1 -6.3 73 75 A M S S+ 0 0 18 7,-3.1 2,-0.3 1,-0.1 8,-0.1 0.868 95.9 22.2 -56.7 -37.5 -2.5 -16.0 -2.8 74 76 A L 0 0 76 6,-0.4 -1,-0.1 1,-0.1 197,-0.0 -0.967 360.0 360.0-133.3 148.5 -5.0 -18.5 -1.4 75 77 A A 0 0 138 -2,-0.3 -1,-0.1 -4,-0.0 -2,-0.1 0.475 360.0 360.0-124.1 360.0 -6.7 -21.6 -2.8 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 84 A G 0 0 98 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 -13.5 -11.5 -5.3 78 85 A T - 0 0 59 1,-0.1 2,-1.7 239,-0.1 47,-0.0 -0.411 360.0-135.7 -59.9 117.6 -10.3 -9.7 -6.0 79 86 A A - 0 0 36 -2,-0.3 47,-2.4 47,-0.3 2,-0.2 -0.534 28.4-175.5 -81.9 79.7 -7.9 -12.3 -7.3 80 87 A Y B -G 125 0A 14 -2,-1.7 -7,-3.1 45,-0.2 -6,-0.4 -0.506 7.6-158.4 -75.7 140.8 -4.7 -11.6 -5.5 81 88 A T B -J 72 0D 1 43,-2.0 3,-0.1 -9,-0.3 -11,-0.0 -0.578 43.6 -70.1-107.0 173.9 -1.6 -13.6 -6.4 82 89 A I - 0 0 10 -11,-1.9 -1,-0.2 -2,-0.2 -9,-0.1 -0.410 64.7-107.3 -61.6 144.7 1.4 -14.1 -4.1 83 90 A T - 0 0 0 37,-0.1 2,-0.3 40,-0.1 40,-0.2 -0.269 43.4-173.1 -72.9 163.9 3.2 -10.7 -4.0 84 91 A C E -K 122 0E 0 38,-1.8 38,-1.5 35,-0.2 37,-0.6 -0.984 24.7-153.4-156.3 165.2 6.6 -10.1 -5.8 85 92 A D E -K 117 0E 15 32,-2.1 32,-3.5 -2,-0.3 2,-0.4 -0.992 34.1-115.5-138.9 137.1 9.6 -7.9 -6.5 86 93 A F E -K 116 0E 30 -2,-0.3 4,-0.3 12,-0.3 30,-0.3 -0.650 30.5-145.6 -73.3 127.8 11.7 -8.0 -9.6 87 94 A A S > S+ 0 0 38 28,-2.8 3,-1.6 -2,-0.4 2,-0.5 0.978 74.2 65.6 -61.2 -65.9 15.1 -9.1 -8.4 88 95 A E T 3 S+ 0 0 166 27,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.474 111.7 15.5 -69.2 115.3 17.7 -7.3 -10.5 89 96 A G T 3 S+ 0 0 49 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.285 104.0 98.9 109.1 -11.1 17.6 -3.5 -10.0 90 97 A T < + 0 0 24 -3,-1.6 -1,-0.4 -4,-0.3 -5,-0.0 -0.753 33.6 166.8-109.6 159.2 15.6 -3.4 -6.8 91 98 A T S S+ 0 0 126 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.487 84.0 14.3-127.5 -77.7 16.7 -3.0 -3.2 92 99 A T S S- 0 0 56 1,-0.1 2,-0.1 183,-0.0 -2,-0.1 0.737 84.0-148.1 -76.8 -23.4 13.9 -2.2 -0.7 93 100 A G S S+ 0 0 1 1,-0.1 9,-0.1 -7,-0.1 28,-0.1 0.016 83.8 78.1 80.1 -29.6 11.3 -3.2 -3.3 94 101 A I + 0 0 3 -2,-0.1 -1,-0.1 4,-0.1 159,-0.1 0.716 66.7 104.8 -84.4 -23.5 9.0 -0.6 -1.8 95 102 A S S > S- 0 0 25 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.141 83.8-114.0 -58.0 155.2 10.5 2.5 -3.4 96 103 A A H > S+ 0 0 8 268,-0.5 4,-2.3 1,-0.2 5,-0.2 0.907 119.1 52.8 -56.4 -41.9 8.8 4.2 -6.3 97 104 A H H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 112.7 43.1 -59.8 -45.6 11.7 3.2 -8.5 98 105 A D H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 -12,-0.3 0.919 113.9 48.7 -69.4 -45.8 11.5 -0.5 -7.4 99 106 A R H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.884 113.4 48.5 -63.9 -35.3 7.7 -0.8 -7.6 100 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.927 112.2 48.8 -69.4 -42.8 7.7 0.8 -11.1 101 108 A L H X S+ 0 0 27 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.909 112.1 48.5 -62.9 -42.1 10.5 -1.5 -12.2 102 109 A T H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.940 111.9 50.1 -63.7 -44.1 8.7 -4.6 -10.9 103 110 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.925 111.4 46.7 -60.4 -46.9 5.5 -3.4 -12.6 104 111 A R H >X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 3,-0.5 0.897 111.2 54.3 -62.9 -37.1 7.2 -2.9 -16.0 105 112 A S H 3< S+ 0 0 9 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.835 101.1 57.2 -66.0 -33.6 8.9 -6.3 -15.6 106 113 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.789 112.2 43.5 -68.4 -24.8 5.5 -8.1 -15.0 107 114 A A H << S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.816 88.6 101.7 -87.3 -33.6 4.5 -6.7 -18.4 108 115 A N >< - 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