==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-FEB-06 2G3A . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR M.CYMBOROWSKI,X.XU,M.CHRUSZCZ,H.ZHENG,J.GU,A.SAVCHENKO,A.EDW . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 24.1 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 217 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.1 55.1 -7.0 26.6 2 2 A N - 0 0 153 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.831 360.0-156.8-103.0 129.8 51.9 -6.4 28.5 3 3 A F - 0 0 196 -2,-0.5 2,-0.6 2,-0.0 0, 0.0 -0.905 17.6-168.9-104.0 113.0 48.9 -8.8 28.4 4 4 A V - 0 0 127 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.910 9.3-153.0-114.4 117.7 45.7 -6.8 29.4 5 5 A L + 0 0 174 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.709 21.6 174.1 -87.1 137.4 42.4 -8.5 30.2 6 6 A S - 0 0 82 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.990 31.4-165.9-144.3 151.0 39.2 -6.5 29.5 7 7 A D + 0 0 155 -2,-0.3 2,-0.4 2,-0.1 -1,-0.0 0.028 65.8 91.4-123.2 23.3 35.5 -7.1 29.6 8 8 A V S S- 0 0 103 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.938 81.9-104.3-119.2 144.5 34.4 -4.0 27.7 9 9 A A + 0 0 96 -2,-0.4 2,-0.3 4,-0.0 -2,-0.1 -0.372 38.3 178.5 -62.4 140.4 33.8 -3.5 24.0 10 10 A D > - 0 0 81 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.807 16.4-168.4-151.5 103.5 36.6 -1.6 22.2 11 11 A A H > S+ 0 0 72 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.910 89.5 46.2 -61.0 -47.4 36.4 -1.0 18.4 12 12 A E H > S+ 0 0 146 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.836 114.7 46.8 -67.6 -36.1 40.0 0.2 18.0 13 13 A A H > S+ 0 0 45 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.915 114.2 47.7 -70.5 -43.3 41.5 -2.5 20.1 14 14 A E H >X S+ 0 0 99 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.854 111.8 50.4 -64.8 -37.8 39.4 -5.2 18.3 15 15 A K H 3X S+ 0 0 124 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.889 103.9 59.1 -63.3 -41.2 40.4 -3.7 14.9 16 16 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.639 114.2 37.6 -66.9 -16.2 44.1 -3.8 15.9 17 17 A I H S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.830 114.1 53.3 -65.3 -27.6 46.7 -8.2 11.0 21 21 A L H X S+ 0 0 97 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.908 110.5 47.3 -69.9 -42.1 44.9 -11.5 11.3 22 22 A V H X S+ 0 0 83 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.925 113.1 48.9 -60.1 -44.5 43.0 -10.7 8.1 23 23 A A H X S+ 0 0 57 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.908 111.7 49.4 -64.1 -41.2 46.3 -9.7 6.5 24 24 A Y H X S+ 0 0 121 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.885 111.4 48.8 -59.7 -45.2 47.9 -12.9 7.6 25 25 A N H X S+ 0 0 53 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.876 110.3 51.1 -67.2 -38.3 45.1 -15.0 6.3 26 26 A L H X S+ 0 0 94 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.929 111.8 47.2 -59.8 -47.5 45.2 -13.2 2.9 27 27 A A H < S+ 0 0 90 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 123.7 32.7 -65.5 -36.3 48.9 -13.9 2.6 28 28 A R H < S+ 0 0 162 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.856 132.7 24.1 -90.2 -39.5 48.6 -17.5 3.6 29 29 A F H < S- 0 0 112 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.365 101.6-126.3-114.4 1.3 45.2 -18.7 2.2 30 30 A G < - 0 0 32 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.134 57.8 -11.4 79.4-175.9 44.6 -16.1 -0.6 31 31 A E - 0 0 143 1,-0.1 27,-0.1 -4,-0.1 26,-0.0 -0.221 47.1-160.4 -58.9 136.6 41.6 -13.9 -1.3 32 32 A S - 0 0 43 25,-0.1 26,-2.9 2,-0.1 27,-0.3 0.748 17.7-148.7 -84.3 -25.5 38.5 -14.5 0.8 33 33 A D - 0 0 118 24,-0.2 2,-0.2 1,-0.2 23,-0.1 0.814 24.6-171.5 52.3 35.8 36.2 -12.7 -1.6 34 34 A K + 0 0 131 23,-0.1 2,-0.4 21,-0.1 23,-0.2 -0.385 10.5 170.1 -59.7 125.9 34.1 -11.7 1.5 35 35 A R E -A 56 0A 140 21,-2.1 21,-2.4 -2,-0.2 -1,-0.0 -0.983 32.0-117.1-146.5 123.7 30.9 -10.1 0.3 36 36 A D E -A 55 0A 110 -2,-0.4 2,-0.3 19,-0.2 19,-0.3 -0.167 22.6-168.2 -59.9 152.5 27.8 -9.3 2.3 37 37 A L E +A 54 0A 6 17,-2.3 17,-1.3 25,-0.1 2,-0.3 -0.826 17.2 162.9-145.3 101.8 24.5 -10.9 1.6 38 38 A N E -A 53 0A 93 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.908 21.9-165.5-121.1 149.7 21.4 -9.4 3.3 39 39 A I E -A 52 0A 21 13,-2.6 13,-2.4 -2,-0.3 2,-0.4 -0.977 13.2-162.9-131.7 118.6 17.7 -9.7 2.6 40 40 A T E -A 51 0A 66 -2,-0.4 2,-0.6 11,-0.2 11,-0.2 -0.848 13.5-144.6-102.4 138.6 15.4 -7.2 4.3 41 41 A I E -A 50 0A 27 9,-2.4 8,-3.1 -2,-0.4 9,-0.9 -0.932 29.7-171.6 -96.2 118.2 11.7 -7.6 4.7 42 42 A R E -A 48 0A 120 -2,-0.6 6,-0.2 6,-0.2 4,-0.0 -0.943 13.5-142.8-123.6 133.4 10.2 -4.1 4.4 43 43 A N > - 0 0 68 4,-2.0 3,-1.9 -2,-0.4 -1,-0.0 -0.007 48.0 -74.3 -77.3-171.9 6.7 -2.8 4.9 44 44 A D T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 132.9 48.9 -60.1 -26.7 4.8 -0.1 3.0 45 45 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.080 120.7-105.0-102.0 24.5 6.9 2.7 4.5 46 46 A N < + 0 0 108 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.519 69.3 149.8 70.8 9.4 10.2 1.0 3.8 47 47 A S - 0 0 62 1,-0.1 -4,-2.0 2,-0.0 2,-0.5 -0.551 50.1-120.6 -74.1 136.5 10.9 -0.1 7.4 48 48 A V E +A 42 0A 78 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.671 35.6 169.9 -76.1 121.3 12.8 -3.3 8.0 49 49 A T E - 0 0 55 -8,-3.1 2,-0.3 -2,-0.5 -1,-0.1 0.496 63.4 -42.0-107.3 -12.2 10.7 -5.7 10.0 50 50 A G E +A 41 0A 11 -9,-0.9 -9,-2.4 18,-0.1 2,-0.3 -0.967 66.9 136.1 172.7-166.6 12.9 -8.8 9.6 51 51 A G E -AB 40 67A 8 16,-2.6 16,-2.7 -2,-0.3 2,-0.4 -0.940 49.5 -53.8 137.3-156.8 15.1 -10.7 7.2 52 52 A L E -AB 39 66A 1 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.4 -0.976 31.4-165.1-132.0 135.8 18.4 -12.5 6.8 53 53 A V E +AB 38 65A 50 12,-2.7 11,-2.4 -2,-0.4 12,-2.2 -0.992 35.8 114.0-120.4 125.7 22.0 -11.3 7.4 54 54 A G E -AB 37 63A 2 -17,-1.3 -17,-2.3 -2,-0.4 2,-0.3 -0.878 39.6-137.0-161.7-161.8 24.9 -13.2 6.1 55 55 A H E -AB 36 62A 33 7,-2.2 7,-2.9 -19,-0.3 2,-0.4 -0.978 14.3-123.8-165.2 160.1 27.9 -13.3 3.7 56 56 A T E +AB 35 61A 9 -21,-2.4 -21,-2.1 -2,-0.3 2,-0.3 -0.931 35.4 157.9-110.3 139.3 29.8 -15.4 1.2 57 57 A A E > + B 0 60A 24 3,-2.2 3,-1.8 -2,-0.4 -24,-0.2 -0.944 62.7 1.8-156.0 138.8 33.5 -16.1 1.6 58 58 A R T 3 S- 0 0 115 -26,-2.9 -25,-0.1 -2,-0.3 3,-0.1 0.839 131.3 -50.9 52.9 37.5 35.9 -18.8 0.3 59 59 A G T 3 S+ 0 0 26 -27,-0.3 36,-3.3 1,-0.2 37,-0.9 0.451 116.9 100.7 87.7 2.5 33.1 -20.5 -1.6 60 60 A W E < -Bc 57 96A 55 -3,-1.8 -3,-2.2 34,-0.2 2,-0.4 -0.960 62.2-136.7-129.0 138.9 30.5 -20.7 1.2 61 61 A L E -Bc 56 97A 3 35,-2.7 37,-2.9 -2,-0.4 2,-0.5 -0.783 18.2-164.4 -83.5 127.8 27.4 -18.9 2.3 62 62 A Y E -Bc 55 98A 44 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.7 -0.986 7.5-153.4-111.6 123.6 27.2 -18.2 6.1 63 63 A V E +B 54 0A 3 35,-2.1 37,-0.5 -2,-0.5 -9,-0.3 -0.892 18.8 173.9 -94.2 114.7 23.8 -17.2 7.4 64 64 A Q E + 0 0 105 -11,-2.4 2,-0.4 -2,-0.7 -10,-0.2 0.875 61.3 12.7 -89.7 -45.5 24.4 -15.1 10.5 65 65 A L E +B 53 0A 96 -12,-2.2 -12,-2.7 2,-0.0 2,-0.3 -0.994 55.1 177.8-136.5 144.3 20.9 -13.9 11.5 66 66 A L E +B 52 0A 40 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.934 7.7 173.8-145.9 122.2 17.4 -14.7 10.4 67 67 A F E -B 51 0A 113 -16,-2.7 -16,-2.6 -2,-0.3 -18,-0.1 -0.989 12.6-166.6-132.5 127.1 14.3 -13.1 11.9 68 68 A V - 0 0 16 -2,-0.4 -18,-0.1 -18,-0.2 5,-0.1 -0.946 32.2-115.0-108.1 125.7 10.7 -13.5 10.8 69 69 A P > - 0 0 18 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.246 27.3-113.4 -57.3 145.5 8.2 -11.0 12.2 70 70 A E G > S+ 0 0 160 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.864 115.3 55.5 -49.0 -43.6 5.5 -12.5 14.5 71 71 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.688 108.3 49.5 -64.9 -19.8 2.7 -11.8 12.1 72 72 A X G < S+ 0 0 61 -3,-2.0 3,-0.5 4,-0.0 5,-0.4 0.193 83.2 121.4-107.0 14.7 4.4 -13.7 9.3 73 73 A R < + 0 0 120 -3,-1.5 -3,-0.0 1,-0.2 0, 0.0 -0.450 65.7 28.2 -85.0 156.7 5.3 -16.9 11.1 74 74 A G S S+ 0 0 89 -2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.820 96.1 99.9 67.3 35.0 4.1 -20.4 9.9 75 75 A Q S S- 0 0 120 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.0 0.048 101.3 -97.9-141.2 21.7 4.0 -19.2 6.3 76 76 A G S > S+ 0 0 44 1,-0.1 4,-1.6 3,-0.0 -3,-0.1 0.693 83.1 129.8 65.9 21.6 7.2 -20.4 4.7 77 77 A I H > + 0 0 27 -5,-0.4 4,-2.3 2,-0.2 5,-0.2 0.907 69.1 48.8 -76.0 -43.3 9.0 -17.1 5.2 78 78 A A H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 114.1 47.3 -61.3 -48.5 12.2 -18.4 6.9 79 79 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.877 109.9 54.8 -58.0 -33.5 12.5 -21.0 4.0 80 80 A K H X S+ 0 0 128 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.899 108.4 47.7 -64.2 -43.3 11.8 -18.2 1.5 81 81 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 112.8 48.6 -62.3 -44.3 14.7 -16.2 3.0 82 82 A L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.878 111.2 50.4 -62.5 -39.9 17.0 -19.2 2.9 83 83 A A H X S+ 0 0 43 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.892 110.5 48.9 -66.1 -39.0 15.9 -19.9 -0.7 84 84 A X H X S+ 0 0 89 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.906 113.5 47.2 -66.9 -40.7 16.7 -16.3 -1.8 85 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.911 112.5 49.0 -64.4 -45.4 20.1 -16.5 -0.1 86 86 A E H X S+ 0 0 15 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.925 109.1 52.8 -62.5 -45.1 20.9 -19.8 -1.6 87 87 A E H X S+ 0 0 115 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 113.0 44.0 -53.6 -46.9 20.0 -18.6 -5.1 88 88 A E H X S+ 0 0 56 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 112.9 51.7 -68.0 -40.0 22.3 -15.6 -4.7 89 89 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.2 0.908 109.1 50.1 -63.9 -42.1 25.1 -17.7 -3.3 90 90 A R H ><5S+ 0 0 121 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 0.916 108.9 53.0 -61.3 -41.7 24.8 -20.1 -6.2 91 91 A K H 3<5S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 104.8 54.6 -57.9 -39.4 25.0 -17.1 -8.5 92 92 A R T 3<5S- 0 0 61 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.476 124.7-106.9 -74.5 -2.4 28.2 -16.0 -6.8 93 93 A G T < 5 + 0 0 58 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.652 61.6 164.8 84.8 19.3 29.6 -19.5 -7.5 94 94 A C < - 0 0 14 -5,-2.7 -34,-0.2 -6,-0.1 -1,-0.2 -0.310 35.2-149.3 -70.3 154.5 29.4 -20.9 -4.0 95 95 A X - 0 0 114 -36,-3.3 42,-2.5 1,-0.2 2,-0.3 0.490 69.0 -27.0 -97.2 -14.5 29.7 -24.6 -3.2 96 96 A G E -cD 60 136A 0 -37,-0.9 -35,-2.7 40,-0.3 2,-0.3 -0.990 55.2-113.0 177.6 178.0 27.5 -24.6 -0.1 97 97 A A E -cD 61 135A 2 38,-2.8 38,-2.6 -2,-0.3 2,-0.3 -0.941 18.3-162.3-131.0 152.9 25.9 -22.9 2.9 98 98 A Y E +cD 62 134A 88 -37,-2.9 -35,-2.1 -2,-0.3 2,-0.3 -0.975 10.4 171.7-137.7 164.1 26.3 -23.2 6.6 99 99 A I E - D 0 133A 2 34,-2.0 34,-2.8 -2,-0.3 2,-0.3 -0.966 13.3-152.5-158.8 156.8 24.2 -22.1 9.6 100 100 A D E + D 0 132A 45 -37,-0.5 2,-0.3 -2,-0.3 32,-0.2 -0.978 15.3 169.6-142.3 160.8 24.0 -22.5 13.4 101 101 A T E - D 0 131A 17 30,-1.9 30,-2.4 -2,-0.3 -2,-0.0 -0.989 35.4-161.1-164.6 151.2 21.3 -22.3 16.0 102 102 A X S S+ 0 0 91 -2,-0.3 27,-0.3 28,-0.2 -1,-0.1 0.279 74.1 97.2-110.7 3.9 20.2 -22.9 19.6 103 103 A N > - 0 0 75 1,-0.1 4,-2.6 28,-0.1 3,-0.3 -0.852 62.6-154.2-102.2 115.9 16.5 -22.8 18.7 104 104 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.796 97.5 51.6 -59.8 -29.5 14.9 -26.3 18.2 105 105 A D H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.867 110.7 46.8 -75.8 -37.6 12.2 -24.8 16.0 106 106 A A H > S+ 0 0 18 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.895 110.3 54.8 -64.9 -42.1 14.8 -23.1 13.8 107 107 A L H X S+ 0 0 26 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.911 108.4 47.9 -56.5 -47.0 16.8 -26.4 13.7 108 108 A R H X S+ 0 0 106 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.903 111.4 50.9 -59.8 -45.0 13.7 -28.2 12.4 109 109 A T H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 111.8 47.2 -57.7 -46.1 13.1 -25.5 9.8 110 110 A Y H X>S+ 0 0 20 -4,-2.6 5,-2.5 1,-0.2 4,-1.3 0.904 112.4 49.1 -67.0 -40.6 16.8 -25.8 8.6 111 111 A E H <5S+ 0 0 77 -4,-2.5 3,-0.3 2,-0.2 -1,-0.2 0.910 111.0 49.0 -65.2 -42.7 16.7 -29.5 8.5 112 112 A R H <5S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 107.8 56.6 -60.0 -43.5 13.4 -29.6 6.5 113 113 A Y H <5S- 0 0 52 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.799 130.8 -92.4 -56.1 -33.6 15.0 -27.0 4.1 114 114 A G T <5S+ 0 0 35 -4,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.427 78.6 136.2 129.4 0.7 17.9 -29.4 3.4 115 115 A F < - 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