==== 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 TRANSFERASE 02-FEB-05 1YR0 . COMPND 2 MOLECULE: PHOSPHINOTHRICIN ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOM . 652 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 24.5 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 . 8 1.2 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 . 45 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 0 0 3 1 0 0 0 3 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 4 0 4 8 4 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 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 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 4 A S 0 0 142 0, 0.0 59,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.4 27.6 74.4 25.0 2 5 A V - 0 0 10 57,-0.1 2,-0.4 93,-0.1 57,-0.2 -0.849 360.0-169.1-108.7 144.2 27.4 71.2 23.0 3 6 A E E -A 58 0A 121 55,-2.0 55,-3.4 -2,-0.4 2,-0.3 -0.992 9.4-145.8-134.4 141.6 25.6 70.7 19.7 4 7 A L E +A 57 0A 45 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.819 28.4 146.6-108.0 147.0 24.7 67.6 17.8 5 8 A R E -A 56 0A 107 51,-1.8 51,-2.7 -2,-0.3 2,-0.1 -0.965 52.1 -65.3-163.8 171.0 24.6 67.2 14.0 6 9 A D E -A 55 0A 113 -2,-0.3 49,-0.2 49,-0.2 2,-0.1 -0.409 54.3-118.4 -66.3 141.3 25.2 64.7 11.2 7 10 A A - 0 0 7 47,-3.4 2,-0.3 -2,-0.1 47,-0.1 -0.494 29.8-163.5 -77.9 150.0 28.8 63.7 10.8 8 11 A T > - 0 0 59 -2,-0.1 3,-2.2 1,-0.0 4,-0.3 -0.774 41.1 -93.0-124.1 173.9 30.5 64.5 7.5 9 12 A V G > S+ 0 0 81 1,-0.3 3,-1.4 -2,-0.3 4,-0.3 0.823 123.9 66.7 -58.5 -27.3 33.7 63.1 6.0 10 13 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.636 97.1 53.0 -69.3 -13.1 35.4 66.1 7.6 11 14 A D G <> S+ 0 0 15 -3,-2.2 4,-2.2 1,-0.1 -1,-0.3 0.431 82.8 94.7 -98.8 -1.2 34.6 64.7 11.1 12 15 A L H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.3 -1,-0.1 0.827 79.3 52.1 -63.7 -35.1 36.2 61.3 10.4 13 16 A S H > S+ 0 0 62 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 112.6 47.2 -69.5 -36.6 39.7 61.9 11.8 14 17 A G H > S+ 0 0 14 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.900 113.4 48.0 -67.4 -39.3 38.1 63.0 15.1 15 18 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.925 109.1 54.9 -65.3 -42.7 35.8 60.0 15.1 16 19 A X H X S+ 0 0 43 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.904 106.0 51.7 -56.7 -44.5 38.8 57.8 14.3 17 20 A E H X S+ 0 0 115 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.901 111.1 46.1 -62.3 -42.2 40.6 59.2 17.4 18 21 A I H X S+ 0 0 9 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.907 114.3 49.0 -66.8 -41.5 37.7 58.5 19.7 19 22 A Y H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 112.4 46.8 -62.1 -51.3 37.2 55.0 18.3 20 23 A N H X S+ 0 0 24 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.879 109.4 54.5 -61.4 -37.6 40.9 54.1 18.6 21 24 A D H X S+ 0 0 39 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.922 107.9 49.8 -62.7 -42.1 41.1 55.4 22.1 22 25 A A H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 7,-0.4 0.918 110.0 51.2 -61.5 -43.2 38.2 53.1 23.1 23 26 A V H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.5 44.0 -59.6 -43.2 39.9 50.2 21.5 24 27 A V H < S+ 0 0 91 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 129.6 17.2 -71.4 -46.7 43.1 50.9 23.4 25 28 A N H < S+ 0 0 114 -4,-2.7 2,-0.3 -5,-0.2 -2,-0.2 0.342 114.2 53.9-114.6 10.3 41.8 51.7 26.9 26 29 A T < - 0 0 48 -4,-2.0 3,-0.4 -5,-0.2 0, 0.0 -0.871 67.2-126.0-140.3 173.3 38.3 50.3 27.2 27 30 A T S S+ 0 0 13 -2,-0.3 95,-0.2 1,-0.2 3,-0.1 0.080 84.0 101.2-101.8 18.6 35.9 47.4 26.9 28 31 A A S S+ 0 0 54 -6,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.779 87.7 37.5 -73.6 -25.9 33.6 49.4 24.6 29 32 A I S S- 0 0 6 -7,-0.4 2,-1.9 -3,-0.4 -1,-0.2 -0.977 81.1-141.2-130.9 116.3 35.1 47.6 21.5 30 33 A W S S+ 0 0 12 -2,-0.4 211,-3.1 -3,-0.1 212,-0.3 -0.436 74.2 53.2 -82.4 70.1 36.0 44.0 21.8 31 34 A N S S- 0 0 10 -2,-1.9 -2,-0.1 209,-0.2 118,-0.0 -0.918 75.3-123.1-179.2 168.5 39.3 43.8 19.8 32 35 A E + 0 0 107 -2,-0.3 2,-0.8 2,-0.1 -2,-0.1 -0.028 62.0 132.7-116.3 28.3 42.6 45.6 19.7 33 36 A V - 0 0 78 -10,-0.0 2,-0.3 0, 0.0 -10,-0.1 -0.727 43.1-155.5 -89.4 108.0 42.4 46.8 16.1 34 37 A V - 0 0 98 -2,-0.8 2,-0.2 -11,-0.1 -2,-0.1 -0.632 16.8-146.8 -78.4 136.5 43.4 50.4 15.7 35 38 A V - 0 0 15 -2,-0.3 2,-0.1 -19,-0.2 -15,-0.1 -0.702 5.1-145.0-107.1 158.8 41.8 51.9 12.6 36 39 A D > - 0 0 83 -2,-0.2 4,-1.5 -16,-0.0 5,-0.2 -0.433 38.6 -86.2-108.8-173.8 43.0 54.5 10.1 37 40 A L H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 123.4 55.7 -63.6 -41.9 41.2 57.2 8.1 38 41 A E H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.916 104.8 54.8 -58.2 -42.5 40.4 55.0 5.1 39 42 A N H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 109.8 45.4 -57.2 -45.7 38.6 52.6 7.5 40 43 A R H X S+ 0 0 12 -4,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.842 110.4 55.9 -66.9 -33.4 36.4 55.3 8.8 41 44 A K H X S+ 0 0 104 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 111.8 41.0 -63.7 -47.4 35.7 56.6 5.3 42 45 A D H X S+ 0 0 111 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.935 115.8 51.5 -64.9 -47.2 34.5 53.2 4.1 43 46 A W H X S+ 0 0 38 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.925 112.7 45.9 -53.1 -49.3 32.6 52.8 7.4 44 47 A F H X S+ 0 0 31 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.848 112.4 50.2 -65.6 -36.1 31.0 56.2 6.8 45 48 A A H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.894 110.4 50.0 -70.5 -38.8 30.2 55.5 3.2 46 49 A A H X S+ 0 0 56 -4,-2.8 4,-2.0 2,-0.2 6,-0.2 0.897 112.3 46.3 -67.5 -41.2 28.5 52.1 4.1 47 50 A R H X>S+ 0 0 54 -4,-2.0 5,-2.6 -5,-0.2 4,-1.0 0.925 110.7 52.5 -68.3 -41.6 26.3 53.6 6.8 48 51 A T H ><5S+ 0 0 81 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.923 110.3 49.4 -58.8 -43.6 25.3 56.6 4.6 49 52 A S H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.5 47.5 -62.1 -42.6 24.3 54.1 1.9 50 53 A R H 3<5S- 0 0 127 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.586 115.8-116.3 -76.1 -10.0 22.2 52.0 4.3 51 54 A G T <<5 + 0 0 33 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.666 64.2 150.6 82.8 16.0 20.6 55.1 5.6 52 55 A F < - 0 0 11 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.670 45.0-118.0 -83.1 136.0 22.2 54.5 9.1 53 56 A P - 0 0 8 0, 0.0 16,-0.8 0, 0.0 2,-0.4 -0.290 20.9-165.8 -74.4 156.2 22.9 57.8 11.0 54 57 A V E - B 0 68A 7 14,-0.2 -47,-3.4 -47,-0.1 2,-0.4 -0.884 17.1-176.1-142.3 103.1 26.2 59.0 12.2 55 58 A I E -AB 6 67A 11 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.886 6.0-165.5-109.4 133.0 25.8 61.8 14.7 56 59 A V E -AB 5 66A 0 -51,-2.7 -51,-1.8 -2,-0.4 2,-0.5 -0.863 15.5-138.4-116.4 151.1 28.6 63.8 16.3 57 60 A A E -AB 4 65A 0 8,-3.0 7,-3.3 -2,-0.3 8,-0.8 -0.936 21.1-153.9-105.8 128.8 28.6 66.0 19.3 58 61 A I E +AB 3 63A 33 -55,-3.4 -55,-2.0 -2,-0.5 2,-0.4 -0.914 20.5 166.0-109.4 128.4 30.6 69.2 18.7 59 62 A L E > S- B 0 62A 38 3,-2.7 3,-1.8 -2,-0.5 -57,-0.1 -0.988 70.3 -4.5-142.5 127.8 32.1 71.1 21.6 60 63 A D T 3 S- 0 0 135 -59,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.879 129.5 -57.5 57.5 39.3 34.8 73.8 21.4 61 64 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.387 120.3 93.8 75.7 -4.9 35.0 73.3 17.7 62 65 A K E < S-B 59 0A 114 -3,-1.8 -3,-2.7 -48,-0.0 2,-0.7 -0.776 86.7 -91.3-121.1 165.3 35.9 69.6 18.0 63 66 A V E +B 58 0A 16 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.621 38.4 175.9 -74.5 112.2 34.2 66.2 18.0 64 67 A A E - 0 0 4 -7,-3.3 25,-2.6 -2,-0.7 2,-0.3 0.368 66.2 -17.4 -98.6 3.0 33.4 65.5 21.6 65 68 A G E -BC 57 88A 0 -8,-0.8 -8,-3.0 23,-0.3 2,-0.3 -0.881 58.0-150.0 168.4 160.1 31.5 62.3 20.8 66 69 A Y E -BC 56 87A 2 21,-2.3 21,-3.0 -10,-0.3 2,-0.3 -0.981 7.5-167.9-148.4 159.1 29.8 60.3 18.1 67 70 A A E +BC 55 86A 0 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.3 -0.995 13.9 149.6-148.6 153.4 27.0 57.8 17.8 68 71 A S E -BC 54 85A 0 17,-2.2 17,-2.5 -2,-0.3 2,-0.3 -0.959 22.5-143.7-166.8 176.4 25.5 55.4 15.2 69 72 A Y E + C 0 84A 0 -16,-0.8 15,-0.2 -2,-0.3 2,-0.2 -0.979 20.4 157.5-152.0 158.9 23.7 52.2 14.6 70 73 A G E - C 0 83A 1 13,-2.2 13,-2.3 -2,-0.3 -23,-0.0 -0.768 51.1 -20.8-156.4-157.9 23.8 49.4 12.2 71 74 A D E - C 0 82A 65 -2,-0.2 3,-0.2 11,-0.2 11,-0.2 -0.257 37.6-170.6 -62.3 147.7 22.8 45.7 11.8 72 75 A W S S+ 0 0 30 9,-0.6 2,-0.4 1,-0.4 -1,-0.2 0.787 85.7 10.6 -99.9 -51.4 22.4 43.7 15.0 73 76 A R S S- 0 0 22 8,-0.3 2,-2.8 2,-0.2 -1,-0.4 -0.995 83.6-124.8-130.4 121.4 22.1 40.3 13.2 74 77 A A S S+ 0 0 76 -2,-0.4 2,-0.3 -3,-0.2 3,-0.0 -0.354 71.9 110.9 -68.5 69.9 23.0 40.3 9.5 75 78 A F S > S- 0 0 103 -2,-2.8 3,-3.0 1,-0.1 -2,-0.2 -0.988 73.5-124.8-148.7 135.1 19.7 38.8 8.3 76 79 A D G > S+ 0 0 91 -2,-0.3 3,-1.7 1,-0.3 119,-0.2 0.790 108.9 62.8 -44.4 -39.8 16.7 40.1 6.3 77 80 A G G 3 S+ 0 0 3 117,-2.1 235,-1.4 1,-0.3 -1,-0.3 0.629 98.6 56.2 -66.4 -12.2 14.3 39.2 9.1 78 81 A Y G X + 0 0 8 -3,-3.0 3,-2.6 116,-0.2 -1,-0.3 0.164 68.5 121.6-103.4 17.0 16.1 41.6 11.5 79 82 A R T < S+ 0 0 109 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.703 75.0 48.4 -53.4 -23.6 15.6 44.6 9.2 80 83 A H T 3 S+ 0 0 31 -3,-0.3 35,-2.6 230,-0.2 36,-2.3 0.301 99.4 80.5-101.1 9.0 13.7 46.5 11.9 81 84 A T E < + d 0 116A 0 -3,-2.6 -9,-0.6 34,-0.2 2,-0.3 -0.964 57.1 177.9-118.0 129.1 16.2 45.8 14.6 82 85 A R E -Cd 71 117A 25 34,-2.3 36,-2.6 -2,-0.5 2,-0.5 -0.964 23.1-138.2-130.2 147.4 19.5 47.9 14.9 83 86 A E E -Cd 70 118A 40 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.3 -0.911 26.4-160.0-104.8 130.8 22.4 47.8 17.3 84 87 A H E -C 69 0A 7 34,-1.6 36,-0.4 -2,-0.5 2,-0.3 -0.711 10.8-165.9-111.1 162.3 23.6 51.2 18.4 85 88 A S E -C 68 0A 38 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.4 -0.993 1.6-165.5-145.4 142.3 26.8 52.5 19.9 86 89 A V E -C 67 0A 32 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.997 4.3-169.7-131.2 135.9 27.6 55.8 21.5 87 90 A Y E -C 66 0A 34 -21,-3.0 -21,-2.3 -2,-0.4 2,-0.5 -0.986 5.2-163.9-131.8 127.0 31.1 57.2 22.3 88 91 A V E -C 65 0A 22 -2,-0.4 -23,-0.3 -23,-0.2 5,-0.1 -0.912 34.2-107.5-108.5 132.7 31.9 60.2 24.3 89 92 A H > - 0 0 51 -25,-2.6 3,-2.4 -2,-0.5 -25,-0.1 -0.309 28.2-121.8 -56.3 136.9 35.4 61.7 24.1 90 93 A K T 3 S+ 0 0 125 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.745 112.0 48.5 -53.8 -28.3 37.5 60.9 27.2 91 94 A D T 3 S+ 0 0 131 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.295 106.7 57.4 -97.2 9.7 38.0 64.6 27.8 92 95 A A S X S+ 0 0 6 -3,-2.4 3,-0.6 -28,-0.1 5,-0.3 -0.010 74.7 132.3-127.9 29.3 34.4 65.6 27.4 93 96 A R T 3 + 0 0 147 -3,-0.5 -3,-0.0 1,-0.2 -4,-0.0 -0.373 56.7 37.8 -79.1 159.2 32.7 63.4 30.0 94 97 A G T 3 S+ 0 0 80 -2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.646 85.3 101.9 76.3 15.7 30.2 64.7 32.5 95 98 A H S < S- 0 0 108 -3,-0.6 -93,-0.1 -94,-0.0 -2,-0.1 0.187 96.2-109.8-113.1 12.6 28.5 67.1 30.0 96 99 A G S > S+ 0 0 43 1,-0.1 4,-1.9 3,-0.1 5,-0.2 0.631 78.4 133.2 69.0 12.7 25.5 64.9 29.2 97 100 A I H > + 0 0 2 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.915 65.0 56.6 -61.4 -44.3 26.8 64.3 25.8 98 101 A G H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 108.9 44.2 -53.5 -52.8 26.2 60.5 26.0 99 102 A K H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 113.7 50.5 -60.9 -43.4 22.5 60.9 26.8 100 103 A R H X S+ 0 0 97 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.888 110.7 49.4 -64.2 -38.7 22.0 63.5 24.1 101 104 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.919 112.8 46.6 -66.3 -42.8 23.7 61.4 21.5 102 105 A X H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.866 110.3 52.9 -68.3 -35.1 21.6 58.3 22.3 103 106 A Q H X S+ 0 0 74 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.912 107.6 52.2 -65.2 -39.8 18.4 60.4 22.3 104 107 A A H X S+ 0 0 23 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.885 109.5 49.2 -62.0 -39.5 19.3 61.6 18.8 105 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.884 110.5 50.8 -65.9 -40.4 19.8 57.9 17.7 106 109 A I H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 111.4 48.6 -64.3 -42.0 16.4 57.1 19.2 107 110 A D H X S+ 0 0 106 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.944 113.0 46.3 -63.9 -47.2 14.8 60.0 17.3 108 111 A H H >< S+ 0 0 65 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.947 111.8 51.6 -60.6 -47.4 16.4 59.0 14.1 109 112 A A H ><>S+ 0 0 0 -4,-2.8 5,-1.5 1,-0.3 3,-1.5 0.872 102.7 60.4 -56.8 -39.2 15.5 55.4 14.5 110 113 A G H 3<5S+ 0 0 54 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.743 111.8 39.2 -62.8 -22.6 11.9 56.4 15.2 111 114 A G T <<5S+ 0 0 71 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.304 106.9 66.6-108.5 8.2 11.7 57.9 11.8 112 115 A N T < 5S- 0 0 61 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.020 113.7-102.3-118.0 28.0 13.7 55.2 10.0 113 116 A D T 5S+ 0 0 121 -3,-0.3 2,-0.5 1,-0.2 -3,-0.1 0.910 70.5 151.0 53.6 46.2 11.3 52.3 10.4 114 117 A V < - 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