==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-OCT-01 1K49 . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNAPORTHE GRISEA; . AUTHOR D.-I.LIAO,Y.-J.ZHENG,P.V.VIITANEN,D.B.JORDAN . 208 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.9 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 . 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 . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 0 2 0 2 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 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 0 PARALLEL BRIDGES PER LADDER . 5 1 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 . 2 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 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 11 A N 0 0 177 0, 0.0 2,-0.2 0, 0.0 193,-0.1 0.000 360.0 360.0 360.0 159.0 22.8 13.0 -9.5 2 12 A F - 0 0 80 1,-0.1 193,-0.2 191,-0.1 2,-0.2 -0.626 360.0-110.7 -87.8 152.7 21.2 13.9 -6.2 3 13 A D - 0 0 31 191,-3.1 193,-0.2 -2,-0.2 2,-0.2 -0.472 35.6-101.2 -81.8 151.4 19.6 17.4 -5.8 4 14 A A >> - 0 0 52 -2,-0.2 4,-1.8 1,-0.1 3,-1.3 -0.489 32.0-115.6 -73.8 142.8 21.2 19.9 -3.5 5 15 A I H 3> S+ 0 0 8 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.843 111.9 57.1 -46.4 -43.9 19.5 20.3 -0.2 6 16 A P H 3> S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.894 108.3 48.0 -57.5 -38.2 18.3 23.9 -0.7 7 17 A D H <> S+ 0 0 91 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.833 110.4 51.6 -71.0 -35.4 16.5 22.8 -3.8 8 18 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.925 109.9 50.7 -65.8 -42.9 14.9 19.9 -1.9 9 19 A I H X S+ 0 0 24 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.922 107.2 52.1 -59.8 -45.6 13.8 22.3 0.8 10 20 A Q H X S+ 0 0 111 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.938 111.9 47.5 -56.4 -45.2 12.2 24.7 -1.7 11 21 A A H <>S+ 0 0 3 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.949 112.0 48.7 -61.1 -44.3 10.2 21.7 -3.2 12 22 A F H ><5S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 23,-0.3 0.913 108.1 55.1 -62.2 -40.3 9.1 20.5 0.2 13 23 A K H 3<5S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 102.2 58.8 -60.1 -32.0 8.1 24.1 1.0 14 24 A N T 3<5S- 0 0 92 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.383 123.1-106.3 -79.3 4.5 5.9 23.9 -2.1 15 25 A G T < 5S+ 0 0 25 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.746 74.5 140.7 76.9 21.6 4.0 20.9 -0.7 16 26 A E < - 0 0 64 -5,-2.2 19,-0.4 1,-0.1 -1,-0.2 -0.553 56.4-110.4 -93.7 160.5 5.7 18.4 -3.0 17 27 A F - 0 0 10 -2,-0.2 176,-0.6 17,-0.1 2,-0.3 -0.602 32.0-160.0 -79.5 153.9 6.9 15.0 -2.2 18 28 A V E -Ab 33 193A 0 15,-2.4 15,-2.3 -2,-0.2 2,-0.6 -0.952 15.8-125.7-131.3 150.1 10.6 14.5 -2.1 19 29 A V E -Ab 32 194A 0 174,-2.7 176,-2.3 -2,-0.3 2,-0.5 -0.873 28.1-165.1-100.9 121.7 12.5 11.2 -2.4 20 30 A V E -Ab 31 195A 0 11,-2.9 11,-2.0 -2,-0.6 2,-0.5 -0.924 8.0-158.5-120.2 123.3 14.8 10.6 0.5 21 31 A L E -Ab 30 196A 9 174,-3.0 176,-2.9 -2,-0.5 177,-0.4 -0.787 6.3-161.6 -96.3 130.5 17.6 8.0 0.6 22 32 A D - 0 0 7 7,-2.1 114,-0.1 -2,-0.5 -1,-0.0 -0.193 45.1 -59.4 -91.1-169.2 19.0 6.8 3.9 23 33 A D > > - 0 0 68 112,-0.4 3,-2.0 1,-0.1 5,-1.7 -0.507 31.3-136.3 -80.5 140.9 22.4 5.0 4.2 24 34 A P T 3 5S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.797 112.5 58.5 -57.9 -29.3 23.1 1.8 2.4 25 35 A S T 3 5S+ 0 0 108 2,-0.0 2,-0.1 3,-0.0 -2,-0.1 0.656 115.1 41.6 -70.6 -21.4 24.7 0.7 5.7 26 36 A R T < 5S- 0 0 75 -3,-2.0 110,-0.1 3,-0.0 0, 0.0 0.142 138.6 -41.5-100.0-137.9 21.2 1.4 7.1 27 37 A E T 5 - 0 0 61 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.788 61.2-144.6 -63.1 -26.8 18.1 0.4 5.3 28 38 A N < + 0 0 44 -5,-1.7 2,-0.3 1,-0.2 152,-0.2 0.887 57.7 134.7 61.7 32.1 19.4 1.4 1.9 29 39 A E - 0 0 34 -6,-0.2 -7,-2.1 150,-0.1 2,-0.4 -0.862 51.9-138.9-117.5 156.9 15.8 2.4 1.3 30 40 A A E -A 21 0A 0 148,-0.7 129,-3.1 129,-0.3 2,-0.3 -0.911 17.0-164.4-111.3 139.8 14.1 5.5 -0.2 31 41 A D E -AC 20 158A 3 -11,-2.0 -11,-2.9 -2,-0.4 2,-0.5 -0.869 23.9-124.5-118.5 153.6 11.0 7.0 1.2 32 42 A L E -AC 19 157A 0 125,-2.2 125,-1.3 -2,-0.3 2,-0.4 -0.828 37.0-171.5 -86.4 132.9 8.4 9.5 -0.2 33 43 A I E +AC 18 156A 0 -15,-2.3 -15,-2.4 -2,-0.5 2,-0.3 -0.998 10.5 165.4-131.9 129.4 8.4 12.4 2.3 34 44 A I E - C 0 155A 1 121,-1.9 121,-2.3 -2,-0.4 2,-0.2 -0.974 43.5 -96.3-142.4 157.8 5.9 15.2 2.3 35 45 A A E - C 0 154A 5 -19,-0.4 3,-0.4 -2,-0.3 119,-0.2 -0.519 31.5-148.0 -72.5 138.1 4.7 18.0 4.6 36 46 A A S > S+ 0 0 0 117,-2.1 3,-1.2 115,-0.3 70,-0.2 0.780 78.2 83.1 -76.8 -28.6 1.5 16.8 6.3 37 47 A E T 3 S+ 0 0 67 116,-0.5 -1,-0.2 1,-0.3 117,-0.1 0.805 110.6 12.8 -50.8 -35.6 -0.2 20.1 6.7 38 48 A S T 3 S+ 0 0 87 -3,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.052 80.3 151.9-130.0 26.1 -1.7 20.2 3.2 39 49 A V < - 0 0 1 -3,-1.2 64,-0.2 60,-0.2 2,-0.1 -0.378 39.2-137.1 -58.9 128.5 -1.3 16.7 1.8 40 50 A T > - 0 0 48 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.468 16.7-114.2 -92.1 166.5 -4.1 16.2 -0.6 41 51 A T H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 119.1 47.0 -57.5 -48.2 -6.5 13.3 -1.3 42 52 A E H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 111.7 48.8 -64.9 -37.3 -4.9 12.9 -4.8 43 53 A Q H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 110.4 52.6 -69.0 -39.6 -1.3 13.1 -3.5 44 54 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.940 106.7 52.8 -59.3 -44.7 -2.2 10.5 -0.8 45 55 A A H X S+ 0 0 47 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.901 109.6 48.9 -56.6 -43.0 -3.6 8.2 -3.4 46 56 A F H X S+ 0 0 44 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.926 110.9 50.8 -62.1 -43.0 -0.3 8.5 -5.3 47 57 A M H < S+ 0 0 0 -4,-2.6 6,-0.3 2,-0.2 -2,-0.2 0.940 111.9 46.8 -62.1 -43.1 1.7 7.8 -2.1 48 58 A V H >< S+ 0 0 44 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.955 112.9 49.0 -63.7 -47.9 -0.3 4.7 -1.4 49 59 A R H 3< S+ 0 0 150 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 117.5 40.2 -59.9 -35.7 -0.0 3.4 -4.9 50 60 A H T 3< S+ 0 0 31 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.3 0.064 114.6 46.3-104.9 22.1 3.7 3.9 -5.1 51 61 A S S < S- 0 0 7 -3,-1.4 108,-0.2 108,-0.2 4,-0.1 -0.865 101.6 -77.8-145.2-172.7 4.8 2.8 -1.6 52 62 A S - 0 0 55 106,-2.4 3,-0.1 -2,-0.3 107,-0.1 0.682 60.8-126.3 -61.0 -18.8 4.4 0.0 1.0 53 63 A G S S+ 0 0 16 -6,-0.3 2,-1.4 105,-0.2 -1,-0.1 0.416 76.0 124.5 83.2 -7.3 1.0 1.7 1.8 54 64 A L - 0 0 69 104,-0.2 2,-0.6 -6,-0.1 104,-0.3 -0.750 51.5-161.9 -87.6 92.3 2.1 1.8 5.5 55 65 A I - 0 0 0 -2,-1.4 67,-1.7 65,-0.3 2,-0.3 -0.763 10.7-174.7 -85.4 114.9 1.6 5.6 5.7 56 66 A C E -dE 122 156A 7 100,-2.7 100,-2.8 -2,-0.6 22,-0.0 -0.728 20.4-143.8-111.2 163.4 3.4 7.1 8.7 57 67 A A E -d 123 0A 0 65,-2.2 67,-1.9 -2,-0.3 98,-0.2 -0.809 11.7-154.3-135.5 90.4 3.5 10.6 10.3 58 68 A P E +d 124 0A 0 0, 0.0 96,-2.4 0, 0.0 2,-0.3 -0.301 27.6 162.5 -59.9 133.6 6.8 11.8 11.7 59 69 A L E -dF 125 153A 0 65,-2.6 67,-3.2 94,-0.2 94,-0.2 -0.960 36.5 -92.7-151.7 165.3 6.3 14.4 14.4 60 70 A T > - 0 0 29 92,-0.9 4,-2.1 -2,-0.3 3,-0.2 -0.432 33.3-112.8 -82.8 165.0 8.2 16.0 17.3 61 71 A P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.876 119.7 59.1 -59.0 -36.3 8.2 14.9 20.9 62 72 A E H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 105.7 48.1 -62.2 -40.0 6.4 18.1 21.7 63 73 A R H > S+ 0 0 24 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 106.9 56.0 -68.8 -36.8 3.6 17.1 19.3 64 74 A T H X>S+ 0 0 12 -4,-2.1 5,-2.6 2,-0.2 4,-0.5 0.902 113.2 42.2 -63.1 -33.3 3.4 13.6 20.9 65 75 A T H ><5S+ 0 0 117 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.967 114.9 48.6 -76.0 -48.1 2.8 15.2 24.3 66 76 A A H 3<5S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.872 120.2 38.6 -55.0 -39.9 0.4 18.0 23.0 67 77 A L H 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.447 109.1-121.1 -93.0 -1.0 -1.6 15.4 21.1 68 78 A D T <<5 + 0 0 97 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.954 54.5 155.8 58.2 55.5 -1.4 12.6 23.8 69 79 A L < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.781 21.2-170.7-113.4 80.4 0.2 10.1 21.5 70 80 A P - 0 0 74 0, 0.0 10,-2.0 0, 0.0 -5,-0.0 -0.362 36.3 -82.4 -71.7 158.2 2.1 7.7 23.7 71 81 A Q B -H 79 0B 53 8,-0.3 8,-0.3 1,-0.1 7,-0.1 -0.180 31.8-129.9 -56.4 140.8 4.5 5.1 22.3 72 82 A M 0 0 102 6,-3.1 -1,-0.1 1,-0.2 7,-0.1 0.893 360.0 360.0 -59.1 -41.5 2.8 1.9 21.0 73 83 A V 0 0 167 5,-0.5 -1,-0.2 7,-0.0 -2,-0.1 -0.983 360.0 360.0-117.4 360.0 5.2 -0.2 23.0 74 ! 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 75 91 A G 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.7 14.1 1.6 16.9 76 92 A T - 0 0 55 1,-0.2 2,-1.6 48,-0.0 50,-0.1 -0.253 360.0-135.9 -52.8 122.1 11.1 3.2 15.0 77 93 A A - 0 0 14 48,-0.3 48,-2.3 -6,-0.1 -1,-0.2 -0.373 29.2-178.3 -82.7 59.0 9.2 5.2 17.5 78 94 A Y B -G 124 0A 76 -2,-1.6 -6,-3.1 46,-0.2 -5,-0.5 -0.345 9.0-158.5 -58.9 132.9 5.6 4.3 16.6 79 95 A T B -H 71 0B 0 44,-2.3 -8,-0.3 -8,-0.3 3,-0.1 -0.416 46.0 -63.7 -95.3-176.2 2.9 6.0 18.7 80 96 A V - 0 0 36 -10,-2.0 -1,-0.2 -2,-0.1 2,-0.1 -0.439 67.2-111.6 -61.9 144.7 -0.6 4.7 19.1 81 97 A S - 0 0 13 38,-0.1 2,-0.3 41,-0.1 41,-0.2 -0.344 39.0-160.6 -77.5 164.3 -2.2 4.8 15.5 82 98 A V E -I 121 0C 0 39,-2.6 39,-2.3 36,-0.2 38,-0.5 -0.962 22.0-157.2-145.9 165.6 -5.1 7.2 14.7 83 99 A D E -I 116 0C 18 33,-1.7 33,-2.5 -2,-0.3 2,-0.4 -0.884 43.0 -93.4-130.2 159.2 -8.0 8.1 12.5 84 100 A A E -I 115 0C 1 -2,-0.3 2,-1.4 13,-0.3 31,-0.2 -0.574 23.3-141.0 -76.7 130.5 -9.5 11.6 12.1 85 101 A E + 0 0 91 29,-3.0 -1,-0.1 -2,-0.4 3,-0.0 -0.756 59.6 127.1 -87.2 98.3 -12.4 12.4 14.3 86 102 A H S > S- 0 0 72 -2,-1.4 3,-1.5 4,-0.1 -2,-0.0 -0.971 71.5-119.5-154.3 144.9 -14.3 14.2 11.5 87 103 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 112.5 55.7 -62.1 -23.9 -17.7 14.0 10.0 88 104 A S T 3 S+ 0 0 47 8,-0.0 2,-0.2 -3,-0.0 9,-0.1 0.505 84.3 104.3 -84.1 -7.1 -16.2 13.2 6.6 89 105 A T < + 0 0 14 -3,-1.5 -3,-0.1 1,-0.1 -6,-0.0 -0.575 40.8 170.0 -75.3 143.5 -14.2 10.2 7.8 90 106 A T S S- 0 0 102 -2,-0.2 -1,-0.1 4,-0.0 -4,-0.1 0.505 70.5 -15.6-113.7 -94.0 -15.6 6.9 6.9 91 107 A T S S- 0 0 90 1,-0.0 -2,-0.1 29,-0.0 29,-0.0 0.647 83.4-123.5 -87.6 -15.1 -13.5 3.8 7.5 92 108 A G S S+ 0 0 1 27,-0.1 28,-0.2 28,-0.0 9,-0.1 0.274 90.7 85.0 93.3 -8.7 -10.3 5.6 7.9 93 109 A I + 0 0 78 4,-0.1 5,-0.0 5,-0.1 26,-0.0 0.746 58.8 101.6-100.0 -25.3 -8.4 3.8 5.2 94 110 A S S > S- 0 0 43 1,-0.1 4,-2.9 4,-0.1 5,-0.3 -0.081 84.8-110.6 -55.7 162.1 -9.2 5.7 2.0 95 111 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.914 122.1 54.9 -57.7 -38.4 -6.7 8.2 0.5 96 112 A H H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.958 111.7 41.7 -55.0 -56.0 -9.3 10.8 1.6 97 113 A D H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -13,-0.3 0.896 115.4 47.6 -64.7 -42.4 -9.4 9.7 5.2 98 114 A R H X S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.891 112.8 48.3 -69.6 -40.1 -5.6 9.1 5.6 99 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.935 110.9 53.2 -62.9 -40.7 -4.7 12.5 4.1 100 116 A L H X S+ 0 0 13 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.948 107.7 50.2 -58.2 -47.6 -7.4 14.1 6.4 101 117 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 110.5 50.1 -56.4 -41.9 -5.8 12.5 9.5 102 118 A C H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.912 111.2 48.2 -62.6 -45.2 -2.3 13.8 8.4 103 119 A R H X S+ 0 0 74 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.893 112.2 49.9 -63.4 -41.9 -3.6 17.3 7.9 104 120 A M H >< S+ 0 0 29 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.856 105.7 54.9 -67.7 -36.3 -5.3 17.2 11.3 105 121 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.873 112.0 45.8 -61.8 -32.8 -2.2 16.0 13.0 106 122 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -70,-0.2 -2,-0.2 0.577 85.4 120.2 -85.3 -12.7 -0.4 19.0 11.6 107 123 A A X< - 0 0 20 -3,-0.7 3,-2.0 -4,-0.7 -3,-0.0 -0.242 66.8-135.2 -57.9 137.2 -3.1 21.6 12.4 108 124 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.846 109.1 51.0 -61.6 -28.7 -2.0 24.4 14.7 109 125 A D T 3 S+ 0 0 107 2,-0.0 -2,-0.1 -5,-0.0 -3,-0.0 0.196 81.1 142.8 -93.0 14.7 -5.3 23.8 16.5 110 126 A A < + 0 0 3 -3,-2.0 -5,-0.1 -5,-0.1 3,-0.0 -0.288 24.3 179.5 -57.8 140.8 -4.8 20.0 16.9 111 127 A Q > - 0 0 98 -44,-0.1 3,-2.5 1,-0.1 4,-0.2 -0.966 41.8-107.9-136.4 157.2 -6.0 18.5 20.2 112 128 A P G > S+ 0 0 38 0, 0.0 3,-1.7 0, 0.0 -45,-0.1 0.856 116.2 61.4 -54.2 -36.1 -5.9 14.9 21.4 113 129 A S G 3 S+ 0 0 95 1,-0.3 -46,-0.0 -3,-0.0 -3,-0.0 0.567 86.7 74.2 -70.1 -9.3 -9.7 14.6 21.0 114 130 A H G < S+ 0 0 50 -3,-2.5 -29,-3.0 -10,-0.1 2,-0.5 0.531 91.3 69.9 -77.5 -7.4 -9.4 15.2 17.3 115 131 A F E < -I 84 0C 7 -3,-1.7 2,-0.3 -4,-0.2 -31,-0.2 -0.951 69.9-147.0-119.6 130.5 -8.0 11.7 16.9 116 132 A R E -I 83 0C 81 -33,-2.5 -33,-1.7 -2,-0.5 -2,-0.0 -0.685 35.1-116.5 -84.3 140.7 -9.7 8.3 17.2 117 133 A R E S+ 0 0 84 -2,-0.3 -35,-0.2 -35,-0.2 2,-0.2 -0.995 85.1 24.6-129.9 137.9 -7.4 5.6 18.6 118 134 A P E S+ 0 0 101 0, 0.0 2,-0.2 0, 0.0 -36,-0.2 0.659 88.4 131.8 -82.1-179.4 -6.4 3.1 17.3 119 135 A G E - 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