==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-04 1VKC . COMPND 2 MOLECULE: PUTATIVE ACETYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.E.HABEL,Z.-J.LIU,W.TEMPEL,J.P.ROSE,P.S.BRERETON,M.IZUMI,F. . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 2 2 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 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 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 2 A E 0 0 122 0, 0.0 59,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -42.3 60.5 2.0 24.6 2 3 A Y E -A 59 0A 74 57,-0.2 2,-0.3 58,-0.1 57,-0.2 -0.978 360.0-151.9-145.4 156.9 59.5 4.6 27.3 3 4 A T E -A 58 0A 71 55,-2.2 55,-2.9 -2,-0.3 2,-0.5 -0.899 13.9-137.6-124.8 154.6 60.8 6.5 30.3 4 5 A I E +A 57 0A 47 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.977 36.8 154.3-115.6 122.7 59.1 8.0 33.4 5 6 A V E -A 56 0A 55 51,-1.9 51,-2.7 -2,-0.5 -2,-0.0 -0.854 52.3 -67.1-137.9 168.1 60.2 11.5 34.5 6 7 A D E -A 55 0A 65 -2,-0.3 49,-0.3 49,-0.2 3,-0.2 -0.341 41.6-153.4 -59.4 142.8 58.9 14.5 36.3 7 8 A G > + 0 0 0 47,-2.4 3,-1.7 1,-0.2 7,-0.2 0.187 59.0 113.9-113.1 16.6 56.0 16.0 34.4 8 9 A E G > S+ 0 0 86 46,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.894 81.2 52.8 -54.3 -42.9 56.1 19.7 35.5 9 10 A E G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.620 108.1 52.7 -67.4 -14.3 57.1 20.7 31.9 10 11 A Y G <> + 0 0 43 -3,-1.7 4,-2.6 1,-0.1 -1,-0.2 0.185 69.5 113.8-108.2 14.4 54.2 18.7 30.4 11 12 A I H <> S+ 0 0 35 -3,-1.2 4,-3.1 1,-0.2 5,-0.2 0.906 77.6 51.3 -58.9 -42.1 51.2 20.2 32.4 12 13 A E H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 113.2 45.0 -61.1 -44.1 49.6 21.9 29.4 13 14 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 113.5 50.6 -67.7 -38.1 49.8 18.6 27.4 14 15 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.940 108.6 52.3 -60.3 -49.8 48.5 16.7 30.4 15 16 A K H X S+ 0 0 19 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.5 46.5 -53.9 -45.8 45.6 19.1 30.8 16 17 A K H X S+ 0 0 60 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.879 112.3 48.8 -69.8 -37.4 44.6 18.7 27.1 17 18 A L H X S+ 0 0 5 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.925 112.3 48.7 -67.1 -43.2 44.8 15.0 27.1 18 19 A D H X S+ 0 0 18 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.878 109.4 53.5 -62.0 -39.1 42.7 14.9 30.3 19 20 A R H X S+ 0 0 24 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.928 113.0 43.7 -58.4 -46.2 40.2 17.3 28.7 20 21 A E H < S+ 0 0 15 -4,-2.1 4,-0.4 2,-0.2 3,-0.2 0.946 119.0 41.9 -65.3 -50.5 39.9 14.9 25.7 21 22 A I H >< S+ 0 0 34 -4,-3.1 3,-1.5 1,-0.2 4,-0.3 0.947 111.7 53.4 -62.0 -51.2 39.7 11.7 27.8 22 23 A S H >< S+ 0 0 34 -4,-2.8 3,-1.5 1,-0.3 4,-0.4 0.739 91.6 75.0 -61.6 -26.7 37.3 13.0 30.5 23 24 A Y G >< S+ 0 0 17 -4,-1.1 3,-1.0 1,-0.3 -1,-0.3 0.785 84.3 65.2 -62.7 -26.7 34.7 14.2 28.1 24 25 A S G < S+ 0 0 74 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.811 101.2 50.5 -63.5 -28.3 33.5 10.7 27.3 25 26 A F G < S+ 0 0 150 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.480 76.2 118.9 -94.3 -2.4 32.2 10.3 30.9 26 27 A V < - 0 0 42 -3,-1.0 4,-0.0 -4,-0.4 9,-0.0 -0.513 40.5-173.0 -68.8 122.1 30.2 13.5 31.2 27 28 A R + 0 0 115 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.354 54.9 84.4-101.0 2.5 26.5 12.4 31.9 28 29 A F S S- 0 0 153 2,-0.0 2,-2.3 1,-0.0 215,-0.1 -0.866 86.6-110.4-111.6 145.2 24.8 15.9 31.6 29 30 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.403 62.5 145.2 -74.9 73.9 23.7 17.6 28.4 30 31 A I - 0 0 26 -2,-2.3 213,-0.2 1,-0.1 2,-0.1 -0.765 51.9-105.3-107.7 153.5 26.2 20.4 28.3 31 32 A S > - 0 0 11 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.369 27.3-118.4 -71.3 156.1 27.8 22.0 25.2 32 33 A Y H > S+ 0 0 9 182,-0.3 4,-3.0 1,-0.2 5,-0.2 0.903 118.2 54.1 -63.6 -37.1 31.4 21.1 24.4 33 34 A E H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 109.4 47.5 -61.3 -43.1 32.3 24.8 24.8 34 35 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.935 112.5 50.1 -58.0 -49.5 30.7 24.7 28.3 35 36 A Y H X S+ 0 0 14 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.952 109.2 51.2 -55.9 -52.6 32.6 21.5 29.1 36 37 A E H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.882 111.2 46.7 -51.8 -46.1 35.9 23.0 28.0 37 38 A E H X S+ 0 0 122 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.902 115.5 45.2 -67.6 -42.7 35.6 26.2 30.2 38 39 A R H X S+ 0 0 141 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.866 111.1 53.4 -68.3 -41.5 34.5 24.2 33.3 39 40 A H H X S+ 0 0 19 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.911 111.6 46.2 -57.5 -43.2 37.3 21.6 32.7 40 41 A E H X S+ 0 0 55 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.950 113.4 49.1 -65.1 -48.7 39.8 24.5 32.6 41 42 A E H X S+ 0 0 54 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.946 114.7 43.8 -53.0 -54.9 38.3 26.2 35.7 42 43 A L H X S+ 0 0 102 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.903 111.6 53.4 -61.1 -44.4 38.4 22.9 37.7 43 44 A F H X S+ 0 0 7 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.928 111.8 46.3 -57.8 -46.3 41.9 22.0 36.6 44 45 A E H X S+ 0 0 111 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.902 111.6 50.2 -63.3 -43.0 43.2 25.3 37.7 45 46 A S H X S+ 0 0 63 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.871 112.8 46.0 -68.6 -35.6 41.5 25.3 41.1 46 47 A L H < S+ 0 0 50 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.909 113.1 50.4 -69.2 -41.2 42.8 21.8 41.9 47 48 A L H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.705 105.6 58.6 -68.8 -21.6 46.3 22.8 40.8 48 49 A S H < S+ 0 0 93 -4,-1.3 2,-0.5 -5,-0.1 -1,-0.2 0.824 97.6 66.4 -77.8 -33.3 46.1 25.9 43.0 49 50 A Q S < S- 0 0 65 -4,-1.0 2,-0.1 -3,-0.4 -1,-0.1 -0.819 98.3 -11.8-100.6 123.3 45.6 24.1 46.3 50 51 A G S S- 0 0 61 -2,-0.5 2,-0.7 21,-0.1 23,-0.1 -0.318 93.5 -44.7 96.8-174.1 48.2 21.8 47.9 51 52 A E E - B 0 72A 74 21,-1.0 21,-2.5 -2,-0.1 2,-0.3 -0.886 61.2-166.4-101.4 110.4 51.5 20.2 46.9 52 53 A H E - B 0 71A 59 -2,-0.7 2,-0.4 19,-0.2 19,-0.2 -0.695 11.7-174.5-104.2 148.3 51.2 18.6 43.4 53 54 A K E - B 0 70A 36 17,-2.7 17,-3.3 -2,-0.3 2,-0.4 -0.994 3.5-167.0-140.1 133.4 53.4 16.1 41.6 54 55 A F E - B 0 69A 0 -2,-0.4 -47,-2.4 15,-0.2 2,-0.4 -0.966 2.5-170.4-116.9 137.1 53.2 14.9 38.0 55 56 A F E -AB 6 68A 22 13,-1.9 13,-2.1 -2,-0.4 2,-0.3 -0.978 11.4-163.2-115.1 143.5 55.0 12.0 36.5 56 57 A V E -AB 5 67A 0 -51,-2.7 -51,-1.9 -2,-0.4 2,-0.5 -0.934 17.4-138.4-123.6 149.9 54.8 11.4 32.7 57 58 A A E -AB 4 66A 0 9,-2.6 8,-3.3 -2,-0.3 9,-1.1 -0.929 28.7-170.0-100.5 125.1 55.6 8.4 30.5 58 59 A L E -AB 3 64A 12 -55,-2.9 -55,-2.2 -2,-0.5 6,-0.2 -0.966 12.5-140.7-122.5 131.8 57.5 9.5 27.4 59 60 A N E > -A 2 0A 43 4,-2.2 3,-2.4 -2,-0.4 -57,-0.2 -0.162 45.5 -82.0 -77.7-177.8 58.3 7.5 24.3 60 61 A E T 3 S+ 0 0 103 -59,-0.7 -58,-0.1 1,-0.3 -1,-0.1 0.760 133.8 52.0 -60.8 -27.1 61.6 7.8 22.3 61 62 A R T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.199 121.4-110.1 -89.3 14.3 60.4 10.9 20.5 62 63 A S < + 0 0 71 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.805 66.6 155.7 56.2 34.2 59.5 12.4 23.9 63 64 A E - 0 0 10 1,-0.1 -4,-2.2 120,-0.0 2,-0.5 -0.708 51.7-103.1 -87.7 143.0 55.8 12.1 23.1 64 65 A L E +B 58 0A 12 -2,-0.3 118,-0.3 -6,-0.2 -6,-0.2 -0.542 41.7 169.8 -70.3 115.3 53.4 11.8 26.1 65 66 A L E - 0 0 11 -8,-3.3 26,-3.0 -2,-0.5 2,-0.3 0.668 64.1 -42.6 -93.3 -25.5 52.2 8.2 26.6 66 67 A G E -BC 57 90A 0 -9,-1.1 -9,-2.6 24,-0.3 -1,-0.4 -0.952 53.1-145.9 172.1 172.1 50.5 8.9 30.0 67 68 A H E -BC 56 89A 0 22,-2.2 22,-2.2 -2,-0.3 2,-0.4 -0.974 8.9-142.4-152.8 163.6 50.7 10.6 33.3 68 69 A V E -BC 55 88A 0 -13,-2.1 -13,-1.9 -2,-0.3 2,-0.5 -0.992 14.2-153.6-128.7 138.6 49.9 10.4 37.0 69 70 A W E -BC 54 87A 8 18,-2.5 17,-1.7 -2,-0.4 18,-1.0 -0.972 16.2-171.7-114.0 117.4 48.8 13.5 39.0 70 71 A I E -BC 53 85A 0 -17,-3.3 -17,-2.7 -2,-0.5 2,-0.4 -0.903 9.6-168.8-113.2 139.0 49.5 13.3 42.8 71 72 A C E -BC 52 84A 7 13,-2.8 13,-3.8 -2,-0.4 2,-0.5 -0.990 14.8-145.2-125.5 121.8 48.4 15.6 45.6 72 73 A I E +BC 51 83A 14 -21,-2.5 -21,-1.0 -2,-0.4 11,-0.2 -0.746 44.9 133.2 -83.3 122.8 49.9 15.5 49.1 73 74 A T E - C 0 82A 67 9,-2.5 9,-2.9 -2,-0.5 2,-0.4 -0.770 53.9 -77.3-151.4-170.7 47.2 16.3 51.6 74 75 A L E - C 0 81A 109 7,-0.2 2,-0.3 -2,-0.2 7,-0.2 -0.880 41.1-113.7-105.7 143.6 45.5 15.2 54.9 75 76 A D > - 0 0 15 5,-2.4 4,-1.6 -2,-0.4 6,-0.0 -0.527 17.0-143.3 -73.7 131.5 43.1 12.4 55.3 76 77 A T T 4 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.575 98.4 30.8 -74.6 -10.0 39.6 13.6 56.3 77 78 A V T 4 S+ 0 0 106 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.739 131.4 28.8-111.2 -43.6 39.0 10.6 58.6 78 79 A D T 4 S- 0 0 93 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.531 88.2-138.9 -99.2 -12.8 42.5 9.6 59.9 79 80 A Y < + 0 0 170 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.874 58.3 126.7 54.0 43.0 44.2 13.1 59.8 80 81 A V S S- 0 0 52 38,-0.0 -5,-2.4 0, 0.0 -1,-0.2 -0.870 71.6 -86.8-121.3 158.8 47.5 11.7 58.5 81 82 A K E +C 74 0A 87 -2,-0.3 36,-2.8 34,-0.2 37,-0.4 -0.450 55.1 174.0 -64.0 136.6 49.4 12.8 55.4 82 83 A I E -C 73 0A 8 -9,-2.9 -9,-2.5 34,-0.2 2,-0.6 -0.921 33.3-125.0-137.2 162.9 48.2 11.0 52.3 83 84 A A E -Cd 72 119A 0 35,-2.4 37,-2.6 -2,-0.3 2,-0.5 -0.981 25.0-158.3-107.6 120.6 48.9 11.2 48.6 84 85 A Y E -Cd 71 120A 61 -13,-3.8 -13,-2.8 -2,-0.6 2,-0.8 -0.869 7.4-145.8 -98.2 129.1 45.7 11.6 46.6 85 86 A I E -Cd 70 121A 6 35,-2.5 37,-0.5 -2,-0.5 -15,-0.2 -0.857 17.3-179.7 -96.7 108.6 45.8 10.6 42.9 86 87 A Y E + 0 0 83 -17,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.875 67.1 0.1 -70.2 -38.7 43.6 12.9 40.9 87 88 A D E -C 69 0A 23 -18,-1.0 -18,-2.5 2,-0.0 2,-0.3 -0.999 43.6-177.2-156.3 143.5 44.4 11.1 37.7 88 89 A I E +C 68 0A 33 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.920 26.5 168.0-141.5 122.1 46.2 8.3 36.0 89 90 A E E -C 67 0A 17 -22,-2.2 -22,-2.2 -2,-0.3 2,-0.4 -0.993 17.9-169.8-139.0 135.4 45.8 8.2 32.2 90 91 A V E -C 66 0A 16 -2,-0.4 -24,-0.3 -24,-0.2 5,-0.1 -0.993 36.2-106.1-125.4 137.5 47.5 6.3 29.4 91 92 A V > - 0 0 2 -26,-3.0 3,-2.0 -2,-0.4 4,-0.4 -0.329 33.9-112.7 -65.3 146.9 46.9 7.1 25.7 92 93 A K G > S+ 0 0 70 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.824 113.8 48.1 -54.7 -39.6 44.8 4.5 23.9 93 94 A W G 3 S+ 0 0 78 1,-0.2 -1,-0.3 87,-0.2 -2,-0.1 0.572 109.3 54.0 -81.4 -6.5 47.5 3.1 21.6 94 95 A A G X S+ 0 0 6 -3,-2.0 3,-0.7 -29,-0.2 5,-0.4 0.311 81.2 118.1-106.0 7.1 50.1 2.7 24.4 95 96 A R T < + 0 0 139 -3,-0.9 -3,-0.0 -4,-0.4 -4,-0.0 -0.438 62.4 39.9 -74.0 145.2 47.7 0.6 26.6 96 97 A G T 3 S+ 0 0 84 -2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.647 85.6 96.2 90.0 17.1 48.9 -3.0 27.5 97 98 A L S < S- 0 0 102 -3,-0.7 -2,-0.1 0, 0.0 -3,-0.0 0.166 100.3-107.9-114.7 12.5 52.6 -2.1 28.0 98 99 A G S > S+ 0 0 40 3,-0.1 4,-2.3 1,-0.0 5,-0.1 0.682 80.1 132.1 68.9 19.1 52.3 -1.8 31.8 99 100 A I H > S+ 0 0 2 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.922 71.7 47.9 -69.8 -44.4 52.7 2.0 31.6 100 101 A G H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 112.7 50.1 -58.5 -44.2 49.7 2.7 33.9 101 102 A S H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.924 112.4 46.9 -60.5 -43.9 51.1 0.1 36.3 102 103 A A H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.854 109.3 53.7 -67.8 -38.8 54.6 1.7 36.2 103 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.920 109.5 48.9 -62.3 -44.8 53.2 5.2 36.7 104 105 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.886 108.7 52.5 -64.2 -40.1 51.3 4.1 39.8 105 106 A R H X S+ 0 0 129 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.928 110.4 49.0 -60.1 -42.9 54.4 2.4 41.3 106 107 A K H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 111.5 49.1 -62.6 -43.4 56.3 5.7 40.8 107 108 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.918 111.4 48.8 -59.9 -47.1 53.6 7.7 42.5 108 109 A E H X S+ 0 0 61 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.909 111.8 50.2 -59.6 -42.3 53.5 5.2 45.4 109 110 A E H X S+ 0 0 118 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.930 113.1 45.1 -62.2 -45.8 57.3 5.5 45.7 110 111 A W H X S+ 0 0 25 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.901 109.6 55.1 -66.3 -43.4 57.2 9.3 45.6 111 112 A A H <>S+ 0 0 3 -4,-2.9 5,-2.4 1,-0.2 4,-0.4 0.923 107.1 50.9 -53.2 -46.9 54.3 9.4 48.1 112 113 A K H ><5S+ 0 0 174 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.904 106.7 54.6 -58.5 -44.3 56.4 7.3 50.5 113 114 A E H 3<5S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.6 52.2 -57.6 -35.3 59.4 9.8 50.1 114 115 A R T 3<5S- 0 0 117 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.487 122.4-106.2 -81.0 -6.7 57.1 12.6 51.1 115 116 A G T < 5 + 0 0 40 -3,-1.5 -34,-0.2 -4,-0.4 -3,-0.2 0.604 61.9 160.2 90.3 14.2 56.0 10.8 54.3 116 117 A A < - 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