==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-AUG-12 4GIN . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 555 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 4 1 2 0 0 1 2 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 1 0 1 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 . 3 1 0 1 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 3 A G 0 0 132 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.0 -7.1 7.7 33.8 2 4 A A - 0 0 58 1,-0.1 5,-0.1 2,-0.1 474,-0.0 -0.445 360.0 -89.8 -75.9 150.4 -4.3 7.5 31.2 3 5 A P >> - 0 0 51 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.293 38.2-114.3 -56.4 146.5 -1.4 9.9 31.2 4 6 A W H >> S+ 0 0 59 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.831 112.7 62.2 -52.3 -37.0 -2.1 13.1 29.2 5 7 A W H 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.701 91.9 64.1 -71.7 -18.8 0.6 12.2 26.7 6 8 A K H <4 S+ 0 0 43 -3,-1.7 -1,-0.3 1,-0.2 351,-0.2 0.766 112.2 34.6 -73.2 -25.3 -1.1 9.0 25.6 7 9 A S H << S+ 0 0 54 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.370 96.9 108.9-109.7 5.2 -4.0 10.9 24.2 8 10 A A < - 0 0 5 -4,-0.5 2,-0.6 -3,-0.2 36,-0.1 -0.527 60.4-140.0 -83.1 148.2 -2.2 14.0 22.9 9 11 A V - 0 0 0 34,-0.2 36,-2.3 -2,-0.2 37,-1.4 -0.946 23.5-158.4-104.3 122.4 -1.5 14.8 19.3 10 12 A F E -ab 46 360A 1 349,-2.7 351,-2.6 -2,-0.6 2,-0.4 -0.689 9.3-157.2-101.4 155.7 1.9 16.3 18.7 11 13 A Y E -ab 47 361A 0 35,-1.9 37,-2.4 -2,-0.3 2,-0.6 -1.000 14.7-139.0-130.7 127.1 3.3 18.4 15.9 12 14 A Q E -ab 48 362A 2 349,-2.9 351,-2.1 -2,-0.4 2,-0.5 -0.793 16.4-165.8 -93.0 122.4 7.0 18.5 15.1 13 15 A V E -a 49 0A 0 35,-2.9 37,-1.9 -2,-0.6 3,-0.1 -0.943 15.0-164.1-107.5 124.9 8.5 21.9 14.2 14 16 A Y > - 0 0 2 -2,-0.5 3,-2.0 35,-0.2 4,-0.4 -0.905 19.9-157.9 -97.8 97.2 11.9 22.3 12.6 15 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.803 81.1 66.5 -61.9 -33.4 12.1 26.0 13.4 16 18 A R G 34 S+ 0 0 40 1,-0.3 11,-2.8 2,-0.1 419,-0.2 0.778 115.0 30.0 -51.1 -33.5 14.7 26.8 10.8 17 19 A S G <4 S+ 0 0 0 -3,-2.0 402,-2.6 9,-0.2 -1,-0.3 0.259 105.8 77.1-114.5 14.9 12.1 26.1 8.1 18 20 A F T <4 S- 0 0 0 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.1 0.960 105.3 -18.7 -89.8 -66.4 8.8 26.9 9.8 19 21 A K < - 0 0 35 -4,-0.7 9,-2.4 9,-0.2 2,-0.4 -0.906 51.6-156.2-150.8 121.2 8.3 30.7 9.9 20 22 A D + 0 0 3 409,-2.2 7,-0.2 -2,-0.3 411,-0.1 -0.787 12.0 176.9 -91.3 132.6 10.8 33.6 9.4 21 23 A T S S+ 0 0 41 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.377 73.9 47.0-117.0 3.1 9.8 36.9 11.0 22 24 A N S S- 0 0 110 4,-0.3 -1,-0.1 0, 0.0 408,-0.1 0.259 104.1-111.5-129.5 15.0 12.9 39.2 10.3 23 25 A G S S+ 0 0 23 1,-0.1 410,-0.5 3,-0.1 407,-0.1 0.562 81.7 119.4 72.6 11.1 13.6 38.5 6.7 24 26 A D S S- 0 0 73 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.492 84.4-114.4 -84.9 -2.3 16.9 36.7 7.1 25 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.4 0.500 84.6 106.6 86.5 4.4 15.5 33.6 5.4 26 28 A I S S- 0 0 26 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.962 72.3-119.4-120.3 131.2 15.7 31.5 8.5 27 29 A G - 0 0 0 -11,-2.8 -7,-0.3 -2,-0.4 2,-0.2 -0.296 38.7-173.8 -65.4 154.8 12.7 30.5 10.6 28 30 A D > - 0 0 10 -9,-2.4 4,-1.9 1,-0.1 -9,-0.2 -0.832 39.8 -92.0-145.6 176.3 12.7 31.7 14.3 29 31 A F H > S+ 0 0 1 45,-2.8 4,-2.8 -2,-0.2 5,-0.2 0.894 121.4 54.2 -61.0 -43.2 11.0 31.6 17.7 30 32 A K H > S+ 0 0 100 44,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.886 106.6 53.6 -60.7 -37.8 8.8 34.6 17.0 31 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.919 109.6 46.3 -63.3 -45.0 7.6 32.9 13.8 32 34 A L H >< S+ 0 0 3 -4,-1.9 3,-1.0 -13,-0.3 -2,-0.2 0.948 112.0 52.4 -60.4 -46.3 6.5 29.8 15.7 33 35 A T H >< S+ 0 0 8 -4,-2.8 3,-1.5 1,-0.3 4,-0.3 0.900 106.4 52.1 -57.7 -42.3 4.9 32.0 18.3 34 36 A E H 3< S+ 0 0 120 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.696 109.4 52.4 -69.9 -16.6 2.9 33.9 15.6 35 37 A K T S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.855 79.7 55.5 -65.9 -32.9 0.3 29.1 17.5 37 39 A D H > S+ 0 0 102 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.902 107.6 51.0 -62.9 -38.9 -3.3 30.1 16.6 38 40 A Y H > S+ 0 0 25 2,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.947 113.4 43.6 -59.6 -51.4 -2.9 28.1 13.4 39 41 A L H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-1.0 0.889 113.3 51.7 -64.6 -39.0 -1.6 25.0 15.2 40 42 A K H ><5S+ 0 0 93 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.923 108.6 50.8 -62.3 -44.2 -4.2 25.3 17.9 41 43 A G H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.2 57.5 -65.0 -30.1 -7.0 25.5 15.3 42 44 A L H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.786 123.3-110.2 -66.7 -27.4 -5.6 22.4 13.6 43 45 A G T <<5 + 0 0 17 -4,-1.0 -34,-0.2 -3,-0.7 -3,-0.2 0.534 57.6 164.9 108.6 14.2 -6.1 20.7 17.1 44 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.396 20.9-172.2 -67.7 131.8 -2.5 20.3 18.1 45 47 A D + 0 0 45 -36,-2.3 48,-1.6 1,-0.3 2,-0.3 0.752 70.0 10.0 -91.1 -29.9 -2.0 19.5 21.9 46 48 A A E -ac 10 93A 0 -37,-1.4 -35,-1.9 46,-0.2 2,-0.4 -0.996 61.7-143.6-156.8 145.7 1.8 19.8 22.0 47 49 A I E -ac 11 94A 0 46,-2.4 48,-3.1 -2,-0.3 2,-0.6 -0.943 7.0-155.6-116.8 130.0 4.7 20.9 19.8 48 50 A W E -ac 12 95A 2 -37,-2.4 -35,-2.9 -2,-0.4 2,-0.4 -0.946 16.2-162.1-100.8 118.1 8.1 19.2 19.6 49 51 A I E -ac 13 96A 0 46,-2.4 48,-0.8 -2,-0.6 -35,-0.2 -0.853 17.9-120.0 -98.6 140.7 10.8 21.7 18.5 50 52 A N - 0 0 2 -37,-1.9 -1,-0.1 -2,-0.4 11,-0.1 -0.109 67.8 -39.6 -65.1 169.2 14.1 20.5 17.2 51 53 A P + 0 0 2 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.010 57.1 176.0 -47.8 130.7 17.3 21.7 19.0 52 54 A H + 0 0 0 45,-0.3 19,-2.5 -3,-0.2 2,-0.2 0.111 39.6 113.2-120.7 19.3 16.9 25.3 20.1 53 55 A Y E S-H 70 0B 2 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.535 79.9 -79.0-100.7 160.1 20.2 25.8 22.0 54 56 A A E +H 66 0B 18 15,-2.1 11,-2.2 12,-0.8 12,-1.2 -0.329 66.3 157.9 -54.0 128.5 23.3 27.8 21.5 55 57 A S - 0 0 19 9,-0.3 9,-0.2 10,-0.2 17,-0.2 -0.989 55.8-133.1-159.4 139.7 25.4 25.9 18.9 56 58 A P - 0 0 62 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.556 51.0-131.2 -70.1 -7.5 28.1 26.5 16.3 57 59 A N + 0 0 44 6,-0.5 3,-0.5 2,-0.1 7,-0.1 0.837 63.7 138.7 59.2 39.1 25.8 24.5 14.0 58 60 A T S S+ 0 0 60 1,-0.2 -1,-0.1 5,-0.2 107,-0.0 0.669 84.9 29.6 -77.8 -19.1 28.4 22.1 12.7 59 61 A D S > S- 0 0 38 4,-0.1 3,-2.4 106,-0.1 -1,-0.2 -0.346 126.4 -83.2-138.5 54.9 25.7 19.4 13.1 60 62 A N T 3 S- 0 0 41 -3,-0.5 -2,-0.1 1,-0.3 -5,-0.0 0.810 93.5 -50.8 55.6 34.1 22.3 21.1 12.6 61 63 A G T 3 S+ 0 0 0 2,-0.1 -1,-0.3 -11,-0.1 -8,-0.3 0.407 117.2 108.6 86.7 -1.8 22.1 22.3 16.3 62 64 A Y < + 0 0 25 -3,-2.4 2,-0.7 1,-0.1 -2,-0.1 0.437 64.0 75.6 -87.8 0.3 23.0 18.8 17.7 63 65 A D S S- 0 0 0 41,-0.0 -6,-0.5 40,-0.0 2,-0.5 -0.887 78.1-165.4-105.3 94.4 26.4 20.2 18.7 64 66 A I + 0 0 1 -2,-0.7 40,-2.7 38,-0.3 -9,-0.3 -0.715 23.5 179.5 -95.7 125.2 25.5 22.3 21.7 65 67 A S S S+ 0 0 29 -11,-2.2 43,-0.7 -2,-0.5 2,-0.3 0.614 79.6 18.0 -98.5 -14.4 27.9 24.8 23.2 66 68 A D E > -H 54 0B 61 -12,-1.2 3,-1.1 3,-0.2 -12,-0.8 -0.803 58.4-163.3-155.0 116.0 25.7 26.1 26.0 67 69 A Y E 3 S+ 0 0 3 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.597 91.5 53.3 -74.2 -10.8 22.6 24.2 27.3 68 70 A R E 3 S+ 0 0 95 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.192 100.9 66.3-111.4 16.2 21.2 27.2 29.1 69 71 A E E < S- 0 0 98 -3,-1.1 -15,-2.1 -15,-0.1 -3,-0.2 -0.937 80.0-115.9-132.3 156.4 21.2 29.6 26.1 70 72 A V E -H 53 0B 14 -2,-0.3 2,-0.5 -17,-0.3 -17,-0.3 -0.457 37.3 -87.4 -92.6 163.5 19.2 29.6 22.9 71 73 A M >> - 0 0 1 -19,-2.5 3,-1.8 -17,-0.2 4,-0.8 -0.567 36.8-139.1 -66.0 119.0 20.3 29.2 19.3 72 74 A K G >4 S+ 0 0 82 -2,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.832 98.8 60.8 -52.5 -37.8 21.1 32.8 18.2 73 75 A E G 34 S+ 0 0 76 1,-0.2 -1,-0.3 -45,-0.1 -47,-0.1 0.778 104.6 50.0 -61.6 -27.3 19.5 32.2 14.7 74 76 A Y G <4 S- 0 0 6 -3,-1.8 -45,-2.8 1,-0.3 -44,-0.5 0.647 118.5-104.5 -85.4 -18.6 16.2 31.5 16.4 75 77 A G << - 0 0 22 -4,-0.8 -1,-0.3 -3,-0.8 2,-0.2 -0.979 48.9 -40.4 135.3-147.2 16.2 34.6 18.6 76 78 A T > - 0 0 75 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.675 51.6-100.8-117.4 171.3 16.8 35.3 22.3 77 79 A M H > S+ 0 0 38 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.873 123.4 55.4 -59.1 -37.2 15.9 33.8 25.6 78 80 A E H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 104.1 53.4 -66.2 -39.0 13.1 36.3 26.0 79 81 A D H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 110.6 48.9 -54.9 -42.2 11.7 35.2 22.7 80 82 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.939 110.7 48.1 -65.1 -46.2 11.8 31.6 24.1 81 83 A D H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.869 110.3 52.5 -65.5 -33.2 10.0 32.6 27.3 82 84 A R H X S+ 0 0 128 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.911 106.3 54.1 -64.6 -43.3 7.4 34.5 25.3 83 85 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.931 109.0 48.9 -54.0 -48.0 6.8 31.3 23.2 84 86 A M H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.902 110.8 49.9 -60.8 -42.7 6.2 29.4 26.5 85 87 A A H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 111.2 48.4 -64.7 -39.2 3.8 32.0 27.8 86 88 A E H X S+ 0 0 19 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.841 111.3 50.7 -71.2 -32.5 1.8 32.0 24.5 87 89 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.9 -5,-0.2 3,-0.5 0.924 110.2 50.1 -65.1 -46.8 1.7 28.2 24.6 88 90 A K H ><5S+ 0 0 176 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.891 105.7 55.4 -61.8 -39.2 0.4 28.2 28.1 89 91 A K H 3<5S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 111.4 45.7 -60.9 -31.0 -2.3 30.7 27.3 90 92 A R T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.323 115.9-114.0 -94.1 4.9 -3.5 28.3 24.6 91 93 A G T < 5S+ 0 0 60 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.2 0.801 73.0 135.7 66.6 28.4 -3.3 25.2 26.8 92 94 A M < - 0 0 9 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.735 42.6-142.5-110.0 159.9 -0.5 23.8 24.7 93 95 A R E -c 46 0A 65 -48,-1.6 -46,-2.4 -2,-0.3 2,-0.4 -0.764 5.0-135.1-119.5 162.4 2.7 22.1 25.7 94 96 A L E -c 47 0A 1 97,-0.4 99,-2.2 -2,-0.3 100,-1.1 -0.971 10.6-168.5-121.5 132.5 6.3 22.1 24.4 95 97 A M E -cd 48 194A 0 -48,-3.1 -46,-2.4 -2,-0.4 2,-0.3 -0.936 13.6-165.0-109.4 140.6 8.7 19.1 23.9 96 98 A V E -cd 49 195A 0 98,-2.3 100,-2.7 -2,-0.4 2,-0.3 -0.864 24.6-108.5-120.6 157.7 12.4 19.8 23.3 97 99 A D E - d 0 196A 0 -48,-0.8 2,-0.5 -2,-0.3 -45,-0.3 -0.644 28.7-155.2 -75.1 142.4 15.2 17.7 22.0 98 100 A V E - d 0 197A 2 98,-3.0 100,-2.6 -2,-0.3 2,-0.7 -0.986 9.2-172.6-122.4 118.2 17.7 16.8 24.7 99 101 A V + 0 0 2 -2,-0.5 -35,-0.2 98,-0.2 98,-0.1 -0.803 29.8 138.2-117.3 87.1 21.2 16.1 23.3 100 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.137 47.3 86.4-125.9 18.0 23.3 14.9 26.3 101 103 A N S S- 0 0 0 1,-0.3 68,-1.9 97,-0.2 2,-0.3 0.745 111.9 -4.9 -73.1 -28.0 25.2 12.0 24.8 102 104 A H B -I 168 0C 8 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.976 64.9-144.2-159.5 157.7 27.7 14.7 23.8 103 105 A S - 0 0 0 64,-1.7 -38,-0.2 -2,-0.3 2,-0.1 -0.717 41.2 -82.1-116.7 173.8 28.2 18.4 23.7 104 106 A S > - 0 0 0 -40,-2.7 3,-1.4 -2,-0.2 6,-0.3 -0.432 36.2-121.8 -64.0 151.4 29.9 20.7 21.2 105 107 A D T 3 S+ 0 0 16 60,-1.8 -1,-0.1 1,-0.2 61,-0.1 0.515 114.9 64.5 -72.9 -3.0 33.7 20.9 21.6 106 108 A Q T 3 S+ 0 0 83 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.412 73.6 116.4 -95.9 -2.3 33.0 24.6 22.1 107 109 A H S X> S- 0 0 11 -3,-1.4 4,-2.0 -43,-0.2 3,-0.7 -0.452 76.2-124.8 -60.8 139.5 31.1 24.0 25.3 108 110 A E H 3> S+ 0 0 115 -43,-0.7 4,-2.2 1,-0.3 5,-0.2 0.795 110.6 62.3 -60.0 -28.3 32.9 25.6 28.2 109 111 A W H 3> S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.906 108.1 42.6 -60.7 -41.4 33.0 22.3 30.0 110 112 A F H <> S+ 0 0 0 -3,-0.7 4,-2.8 -6,-0.3 -2,-0.2 0.873 110.5 53.9 -76.2 -37.3 35.1 20.9 27.1 111 113 A K H X S+ 0 0 90 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.890 116.1 41.6 -60.5 -38.6 37.3 23.9 26.8 112 114 A S H >< S+ 0 0 45 -4,-2.2 3,-0.9 -5,-0.2 4,-0.5 0.937 114.2 51.9 -70.8 -48.0 38.0 23.5 30.5 113 115 A S H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.893 111.2 45.9 -54.1 -47.2 38.3 19.7 30.3 114 116 A R H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.622 93.0 82.3 -74.9 -14.8 40.8 19.7 27.5 115 117 A A T << S- 0 0 61 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.752 106.2 -12.4 -68.9 -27.7 43.1 22.4 29.0 116 118 A S < - 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