==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAY-08 3DA8 . COMPND 2 MOLECULE: PROBABLE 5'-PHOSPHORIBOSYLGLYCINAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Z.ZHANG,C.J.SQUIRE,E.N.BAKER . 418 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 11.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 122 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 18.8 40.2 10.0 2 4 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 198,-0.2 -0.438 360.0-122.9 -66.1 141.8 22.4 39.3 10.9 3 5 A L E -A 199 0A 65 196,-1.9 196,-2.7 -2,-0.1 2,-0.5 -0.791 30.1-166.3 -84.9 127.5 25.0 40.5 8.5 4 6 A R E -A 198 0A 166 -2,-0.5 194,-0.2 194,-0.2 192,-0.0 -0.972 11.9-171.8-121.1 118.1 26.9 37.5 7.3 5 7 A V E -A 197 0A 11 192,-3.1 192,-2.0 -2,-0.5 3,-0.1 -0.948 23.6-142.4-105.8 113.1 30.2 37.9 5.4 6 8 A P - 0 0 70 0, 0.0 190,-0.3 0, 0.0 189,-0.1 -0.273 29.8 -79.8 -73.1 164.1 31.3 34.5 4.1 7 9 A P - 0 0 82 0, 0.0 187,-0.2 0, 0.0 186,-0.2 -0.237 41.8-177.9 -52.7 148.3 34.9 33.1 3.9 8 10 A S + 0 0 20 185,-2.6 186,-0.2 184,-0.2 185,-0.1 0.318 14.7 174.0-134.7 1.1 36.8 34.5 0.9 9 11 A A S S+ 0 0 49 184,-2.1 28,-0.1 1,-0.2 3,-0.0 -0.369 73.6 45.5 -60.7 133.4 40.2 32.8 1.1 10 12 A P S S- 0 0 119 0, 0.0 27,-0.2 0, 0.0 -1,-0.2 0.297 102.2-171.7 -72.7 115.2 42.2 33.2 -1.2 11 13 A A E -b 37 0A 4 25,-2.9 27,-2.1 179,-0.1 2,-0.6 -0.462 25.0-135.1 -92.3 148.0 41.0 36.8 -0.6 12 14 A R E -b 38 0A 97 75,-0.2 77,-2.9 25,-0.2 78,-1.8 -0.891 25.6-163.3 -99.5 122.8 41.6 40.0 -2.6 13 15 A L E -bc 39 90A 2 25,-2.8 27,-2.6 -2,-0.6 28,-1.0 -0.911 10.8-164.0-113.1 130.9 42.4 42.9 -0.5 14 16 A V E -bc 41 91A 0 76,-2.3 78,-2.5 -2,-0.5 2,-0.5 -0.945 10.1-155.7-106.0 134.1 42.3 46.6 -1.4 15 17 A V E -bc 42 92A 6 26,-2.1 28,-2.6 -2,-0.5 2,-0.5 -0.948 0.4-157.2-109.2 126.9 44.2 49.1 0.9 16 18 A L E +b 43 0A 0 76,-3.2 79,-0.6 -2,-0.5 2,-0.3 -0.914 26.1 168.9-101.2 128.6 43.1 52.7 0.9 17 19 A A E +bc 44 95A 6 26,-2.9 28,-0.6 -2,-0.5 29,-0.3 -0.967 33.3 172.3-145.3 153.3 45.9 55.0 2.1 18 20 A S S S+ 0 0 4 77,-1.7 78,-0.1 -2,-0.3 31,-0.1 0.355 70.0 36.0-135.6 -1.2 46.9 58.7 2.4 19 21 A G S S- 0 0 19 76,-0.3 31,-2.4 29,-0.1 32,-0.2 -0.058 108.8 -30.9-134.5-139.3 50.1 58.7 4.4 20 22 A T - 0 0 104 29,-0.2 33,-0.1 28,-0.1 28,-0.0 0.603 67.1-133.1 -78.2 -12.2 53.3 56.9 5.2 21 23 A G > + 0 0 11 74,-0.1 4,-2.4 3,-0.1 5,-0.2 0.730 53.0 146.4 72.8 24.4 52.0 53.4 4.5 22 24 A S H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.927 77.6 45.4 -59.2 -43.8 53.4 51.7 7.6 23 25 A L H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 109.5 55.5 -66.9 -42.4 50.3 49.4 7.8 24 26 A L H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 105.3 53.3 -52.8 -44.8 50.6 48.7 4.0 25 27 A R H X S+ 0 0 132 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 108.7 49.0 -58.0 -45.1 54.2 47.6 4.5 26 28 A S H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.915 112.6 47.9 -62.1 -41.4 53.0 45.1 7.2 27 29 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 111.9 48.7 -65.7 -42.9 50.3 43.7 5.0 28 30 A L H < S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.4 49.3 -63.3 -40.1 52.7 43.4 2.0 29 31 A D H < S+ 0 0 126 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 116.0 43.0 -64.2 -38.5 55.2 41.6 4.2 30 32 A A H < S+ 0 0 28 -4,-2.0 2,-2.6 -5,-0.2 5,-0.2 0.808 92.2 83.1 -78.4 -32.0 52.5 39.2 5.6 31 33 A A S < S+ 0 0 15 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.370 71.5 103.7 -81.9 65.8 50.8 38.4 2.4 32 34 A V S > S- 0 0 92 -2,-2.6 3,-2.1 -3,-0.1 5,-0.1 -0.898 76.0 -8.9-135.9 163.2 53.2 35.7 1.2 33 35 A G T 3 S- 0 0 56 -2,-0.3 -3,-0.0 1,-0.3 366,-0.0 -0.186 131.1 -1.3 51.7-125.6 53.0 31.9 1.2 34 36 A D T 3 S+ 0 0 125 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.1 0.470 91.4 127.7 -79.3 -5.0 50.0 30.5 3.0 35 37 A Y < - 0 0 38 -3,-2.1 -4,-0.0 -5,-0.2 155,-0.0 -0.333 64.6-130.1 -56.4 132.9 48.6 33.8 4.1 36 38 A P S S+ 0 0 24 0, 0.0 -25,-2.9 0, 0.0 2,-0.3 0.185 78.4 46.3 -84.2 21.4 44.9 33.7 2.9 37 39 A A E -b 11 0A 2 -27,-0.2 2,-0.3 -28,-0.1 -25,-0.2 -0.972 59.9-153.3-150.2 162.8 44.9 37.1 1.1 38 40 A R E -b 12 0A 106 -27,-2.1 -25,-2.8 -2,-0.3 2,-0.7 -0.988 28.2-116.2-135.4 144.8 46.8 39.2 -1.3 39 41 A V E +b 13 0A 16 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.741 35.1 175.6 -77.7 114.0 47.0 43.0 -1.7 40 42 A V E - 0 0 25 -27,-2.6 2,-0.3 -2,-0.7 -26,-0.2 0.678 60.3 -2.5 -96.6 -19.7 45.6 43.5 -5.2 41 43 A A E -b 14 0A 0 -28,-1.0 -26,-2.1 18,-0.1 2,-0.4 -0.970 53.9-141.2-165.7 155.2 45.5 47.3 -5.3 42 44 A V E -bd 15 61A 0 18,-2.4 20,-2.4 -2,-0.3 2,-0.4 -0.995 17.0-158.7-124.3 127.9 46.2 50.4 -3.3 43 45 A G E +bd 16 62A 0 -28,-2.6 -26,-2.9 -2,-0.4 2,-0.3 -0.907 14.4 177.6-107.6 134.6 43.9 53.4 -3.6 44 46 A V E -bd 17 63A 4 18,-2.6 20,-2.4 -2,-0.4 -26,-0.2 -0.899 30.6-153.6-130.1 161.5 45.1 56.9 -2.6 45 47 A D S S+ 0 0 6 -28,-0.6 21,-0.3 -2,-0.3 2,-0.3 0.275 83.1 11.1-113.5 8.7 43.6 60.5 -2.6 46 48 A R S S- 0 0 85 -29,-0.3 2,-0.2 19,-0.1 5,-0.2 -0.967 96.5 -69.4-169.8 166.0 47.0 62.3 -2.9 47 49 A E + 0 0 127 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.545 68.7 148.3 -68.9 134.1 50.7 61.7 -3.5 48 50 A C >> - 0 0 21 -2,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.980 62.4-100.0-163.6 163.7 52.1 59.8 -0.5 49 51 A R H 3> S+ 0 0 35 -2,-0.3 4,-3.0 1,-0.2 -29,-0.2 0.848 116.6 63.8 -62.2 -35.4 54.7 57.3 0.6 50 52 A A H 3> S+ 0 0 0 -31,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 101.4 50.3 -55.0 -43.3 52.0 54.5 0.6 51 53 A A H <> S+ 0 0 18 -3,-0.5 4,-2.0 -32,-0.2 -1,-0.2 0.892 111.6 48.4 -62.2 -39.0 51.6 55.0 -3.2 52 54 A E H X S+ 0 0 122 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.917 110.1 51.6 -68.2 -42.7 55.3 54.7 -3.6 53 55 A I H X S+ 0 0 9 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.908 109.6 49.5 -58.5 -45.5 55.5 51.6 -1.5 54 56 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.5 0.932 112.2 47.3 -59.1 -48.1 52.7 49.9 -3.5 55 57 A A H ><5S+ 0 0 66 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.897 106.7 57.2 -61.3 -42.4 54.4 50.6 -6.8 56 58 A E H 3<5S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 109.9 47.1 -58.7 -28.8 57.8 49.4 -5.4 57 59 A A T <<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.196 119.4-110.4 -97.2 12.0 55.9 46.1 -4.7 58 60 A S T < 5S+ 0 0 113 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.804 71.3 141.4 60.5 32.9 54.3 45.9 -8.2 59 61 A V < - 0 0 16 -5,-2.5 -1,-0.2 -6,-0.1 -18,-0.1 -0.903 56.9-111.7-101.5 130.6 50.8 46.6 -6.9 60 62 A P - 0 0 68 0, 0.0 -18,-2.4 0, 0.0 2,-0.4 -0.328 29.5-151.3 -63.0 144.1 48.6 48.8 -9.0 61 63 A V E -d 42 0A 55 -20,-0.2 2,-0.4 -18,-0.0 -18,-0.2 -0.958 9.1-167.5-117.1 129.8 47.8 52.2 -7.5 62 64 A F E -d 43 0A 28 -20,-2.4 -18,-2.6 -2,-0.4 2,-0.4 -0.909 6.6-153.4-115.5 149.9 44.6 54.1 -8.2 63 65 A T E +d 44 0A 75 -2,-0.4 2,-0.4 -20,-0.2 -18,-0.2 -0.986 15.6 175.5-127.6 124.5 44.1 57.8 -7.3 64 66 A V - 0 0 12 -20,-2.4 2,-0.3 -2,-0.4 15,-0.0 -0.889 17.1-165.8-130.7 100.3 40.7 59.4 -6.7 65 67 A R > - 0 0 67 -2,-0.4 3,-1.2 1,-0.1 4,-0.1 -0.700 23.9-136.8 -91.8 137.3 41.2 63.1 -5.6 66 68 A L G > S+ 0 0 45 -2,-0.3 3,-1.4 -21,-0.3 -1,-0.1 0.884 104.1 57.9 -52.5 -43.1 38.4 65.1 -4.0 67 69 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.679 93.5 66.8 -66.6 -19.7 39.4 68.2 -6.2 68 70 A D G < S+ 0 0 112 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.345 97.1 63.3 -85.7 5.8 38.8 66.2 -9.4 69 71 A H S < S- 0 0 60 -3,-1.4 6,-0.0 -4,-0.1 3,-0.0 -0.923 80.9-127.0-131.4 153.8 35.1 65.9 -8.8 70 72 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.620 88.2 8.3 -77.5 -13.1 32.3 68.6 -8.6 71 73 A S S > S- 0 0 58 -5,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.955 75.8-104.4-156.6 165.2 30.9 67.3 -5.2 72 74 A R H > S+ 0 0 108 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.895 120.9 54.7 -62.4 -40.6 31.6 64.9 -2.3 73 75 A D H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 106.2 51.4 -61.5 -41.5 28.9 62.6 -3.7 74 76 A A H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 110.8 48.0 -61.3 -42.8 30.6 62.5 -7.1 75 77 A W H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.908 109.1 54.1 -61.9 -41.7 33.9 61.6 -5.4 76 78 A D H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.943 109.2 48.1 -59.7 -47.4 32.1 58.9 -3.3 77 79 A V H X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.927 113.2 48.9 -58.8 -44.2 30.7 57.4 -6.6 78 80 A A H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 112.1 45.1 -65.4 -45.9 34.2 57.5 -8.2 79 81 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.859 112.9 52.7 -70.9 -31.6 36.1 55.9 -5.3 80 82 A T H X S+ 0 0 18 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.937 111.7 45.6 -63.0 -46.9 33.4 53.2 -4.9 81 83 A A H X S+ 0 0 59 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.902 114.0 49.0 -64.0 -41.6 33.7 52.3 -8.7 82 84 A A H < S+ 0 0 26 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.903 114.6 44.3 -66.0 -41.0 37.5 52.3 -8.5 83 85 A T H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.946 113.3 50.4 -68.2 -46.9 37.6 50.1 -5.4 84 86 A A H >< S+ 0 0 41 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.770 95.3 73.1 -62.8 -26.5 34.9 47.7 -6.8 85 87 A A T 3< S+ 0 0 79 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 93.9 54.4 -61.9 -21.5 36.8 47.4 -10.1 86 88 A H T < S- 0 0 44 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.329 105.4-130.3 -92.8 3.6 39.4 45.3 -8.2 87 89 A E < - 0 0 156 -3,-2.2 -75,-0.2 1,-0.2 -3,-0.1 0.917 37.5-168.7 48.0 53.6 36.7 42.8 -7.0 88 90 A P - 0 0 14 0, 0.0 -75,-0.2 0, 0.0 -1,-0.2 -0.457 30.6-163.5 -75.4 148.4 37.9 43.0 -3.4 89 91 A D S S+ 0 0 41 -77,-2.9 2,-0.3 1,-0.3 -76,-0.2 0.680 83.6 18.9 -88.7 -27.5 36.8 40.7 -0.7 90 92 A L E -c 13 0A 3 -78,-1.8 -76,-2.3 -82,-0.1 2,-0.4 -0.987 64.0-157.7-144.1 148.9 38.1 43.1 2.0 91 93 A V E -ce 14 112A 0 20,-2.8 22,-2.8 -2,-0.3 2,-0.5 -0.998 4.8-159.1-127.6 130.8 39.1 46.7 2.2 92 94 A V E +ce 15 113A 1 -78,-2.5 -76,-3.2 -2,-0.4 22,-0.2 -0.961 19.4 164.4-107.9 126.0 41.5 48.2 4.7 93 95 A S E > + 0 0 7 20,-2.7 3,-2.0 -2,-0.5 21,-0.2 0.199 35.5 117.5-126.5 15.5 41.1 52.0 5.2 94 96 A A E 3 S+ 0 0 27 19,-0.5 -77,-0.1 1,-0.3 20,-0.1 0.816 83.4 43.2 -55.1 -36.9 43.0 52.6 8.5 95 97 A G E 3 S+c 17 0A 40 -79,-0.6 -77,-1.7 -3,-0.1 2,-0.4 0.337 89.7 111.8 -90.3 4.9 45.6 54.9 6.8 96 98 A F < - 0 0 19 -3,-2.0 -79,-0.1 -80,-0.3 -3,-0.1 -0.709 55.9-154.4 -89.9 130.2 43.0 56.7 4.6 97 99 A M + 0 0 108 -2,-0.4 2,-0.4 2,-0.1 -1,-0.1 -0.084 67.9 81.3 -93.8 26.9 42.4 60.4 5.4 98 100 A R S S- 0 0 74 3,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.997 80.7-117.4-132.1 142.9 38.9 60.6 4.0 99 101 A I - 0 0 116 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.657 36.4-124.3 -72.8 124.5 35.5 59.7 5.5 100 102 A L - 0 0 10 -2,-0.5 -1,-0.0 48,-0.2 -24,-0.0 -0.577 32.3-133.8 -74.9 132.6 34.1 56.9 3.3 101 103 A G > - 0 0 11 -2,-0.3 4,-2.5 -29,-0.1 5,-0.2 -0.094 22.9 -91.8 -87.7-179.1 30.6 57.9 2.1 102 104 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.804 121.5 55.3 -67.8 -28.6 27.2 56.2 1.8 103 105 A Q H > S+ 0 0 86 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.946 111.5 45.0 -66.8 -45.2 27.8 55.0 -1.7 104 106 A F H >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.942 115.2 46.8 -61.8 -47.7 31.0 53.2 -0.7 105 107 A L H 3X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.837 101.7 64.8 -68.3 -29.2 29.4 51.8 2.5 106 108 A S H 3< S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.889 117.1 29.0 -57.3 -37.9 26.3 50.6 0.6 107 109 A R H << S+ 0 0 73 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.835 132.3 31.1 -86.5 -38.1 28.7 48.2 -1.3 108 110 A F H >X S+ 0 0 11 -4,-2.7 3,-2.3 -5,-0.2 4,-0.6 0.388 72.8 129.0-116.8 1.4 31.4 47.6 1.3 109 111 A Y T 3< S+ 0 0 84 -4,-2.2 39,-0.1 1,-0.3 37,-0.0 -0.402 81.0 27.3 -58.0 133.8 30.0 47.7 4.8 110 112 A G T 34 S+ 0 0 1 37,-0.4 -1,-0.3 2,-0.3 -105,-0.1 0.150 119.7 59.5 97.5 -17.6 31.0 44.6 6.6 111 113 A R T <4 S+ 0 0 71 -3,-2.3 -20,-2.8 36,-0.1 2,-0.5 0.307 83.6 90.3-122.3 3.0 34.1 44.2 4.5 112 114 A T E < -e 91 0A 0 -4,-0.6 35,-2.5 35,-0.2 2,-0.4 -0.918 59.1-163.2-111.9 124.7 35.9 47.5 5.3 113 115 A L E +eF 92 146A 0 -22,-2.8 -20,-2.7 -2,-0.5 -19,-0.5 -0.855 12.0 178.1-115.9 139.1 38.3 47.6 8.3 114 116 A N E - 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