==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-13 4K4L . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.OSIPIUK,M.ZHOU,M.GU,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 509 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 2 0 0 6 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 3 3 0 3 6 3 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 0 0 0 0 3 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 Q 0 0 192 0, 0.0 59,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 3.1 5.4 97.5 45.5 2 5 A L - 0 0 14 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.878 360.0-158.6-105.2 146.0 8.3 94.9 45.5 3 6 A T E -A 58 0A 64 55,-2.6 55,-2.3 -2,-0.4 2,-0.4 -0.961 9.0-142.1-127.0 145.0 10.6 94.5 48.4 4 7 A L E +A 57 0A 43 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.845 28.4 167.3-103.4 133.4 14.1 93.0 48.7 5 8 A R E -A 56 0A 71 51,-2.4 51,-3.1 -2,-0.4 3,-0.1 -0.968 40.0 -87.4-145.9 152.3 15.0 90.9 51.8 6 9 A A E -A 55 0A 49 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.317 50.4-101.3 -56.5 140.9 17.7 88.6 52.9 7 10 A L - 0 0 15 47,-2.3 2,-0.3 2,-0.0 47,-0.1 -0.451 40.7-167.1 -61.1 140.0 17.4 84.9 52.0 8 11 A E > - 0 0 108 -2,-0.1 3,-2.3 -3,-0.1 4,-0.2 -0.898 36.8-102.7-127.5 160.0 16.2 82.7 54.9 9 12 A R G > S+ 0 0 117 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.814 117.9 63.3 -54.2 -35.3 16.2 78.9 55.3 10 13 A G G 3 S+ 0 0 70 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.633 97.2 60.2 -68.7 -13.8 12.4 78.8 54.6 11 14 A D G <> S+ 0 0 14 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.402 76.7 93.8 -86.6 -3.3 13.1 80.1 51.1 12 15 A L H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.836 78.6 56.5 -63.0 -32.4 15.3 77.2 50.1 13 16 A R H > S+ 0 0 128 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.894 107.8 49.5 -62.2 -42.8 12.5 75.2 48.5 14 17 A F H > S+ 0 0 30 -4,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.927 111.8 49.1 -57.0 -47.8 11.8 78.2 46.2 15 18 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.921 110.7 48.8 -59.6 -45.7 15.5 78.4 45.4 16 19 A H H X S+ 0 0 24 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.917 110.3 52.6 -64.3 -39.9 15.7 74.8 44.6 17 20 A N H X S+ 0 0 90 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.930 105.3 54.9 -59.2 -46.6 12.6 75.1 42.4 18 21 A L H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.809 108.9 47.6 -55.3 -33.7 14.2 77.9 40.5 19 22 A N H >< S+ 0 0 25 -4,-1.4 3,-0.8 -3,-0.4 5,-0.2 0.770 92.5 81.6 -83.1 -24.5 17.3 75.8 39.7 20 23 A N H 3< S+ 0 0 98 -4,-1.6 2,-1.2 -3,-0.4 -1,-0.2 0.878 91.0 47.5 -40.0 -57.0 15.2 72.9 38.6 21 24 A N T 3< S+ 0 0 135 -4,-0.7 2,-0.4 -3,-0.2 -1,-0.3 -0.383 89.9 107.9 -96.1 59.4 14.5 74.2 35.1 22 25 A R < - 0 0 92 -2,-1.2 2,-0.3 -3,-0.8 4,-0.1 -0.996 61.9-143.5-137.7 138.2 18.0 75.2 34.2 23 26 A N S S+ 0 0 84 -2,-0.4 126,-1.2 2,-0.1 2,-0.3 -0.144 80.3 68.5 -98.8 43.1 20.5 73.6 31.7 24 27 A I S S- 0 0 55 -2,-0.3 124,-0.1 -5,-0.2 -2,-0.1 -0.983 91.4 -93.5-151.2 149.2 23.5 74.3 33.8 25 28 A X - 0 0 28 258,-0.3 2,-0.3 -2,-0.3 9,-0.1 -0.350 40.3-130.8 -62.0 144.3 24.8 72.9 37.2 26 29 A S E -G 33 0B 16 7,-0.6 7,-1.8 -4,-0.1 2,-0.3 -0.757 21.6-162.7 -96.9 145.6 23.9 74.9 40.2 27 30 A Y E -G 32 0B 127 -2,-0.3 2,-0.4 5,-0.2 12,-0.0 -0.915 17.6-164.9-126.4 151.3 26.4 76.0 42.9 28 31 A W E > S-G 31 0B 6 3,-2.6 3,-1.8 -2,-0.3 -2,-0.0 -0.982 92.1 -15.9-130.3 117.8 26.3 77.2 46.5 29 32 A F T 3 S- 0 0 27 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.901 129.3 -56.5 48.0 45.7 29.6 78.8 47.5 30 33 A E T 3 S+ 0 0 124 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.552 113.2 119.0 66.7 14.4 31.2 77.0 44.5 31 34 A E E < -G 28 0B 69 -3,-1.8 -3,-2.6 11,-0.0 -1,-0.2 -0.940 63.2-129.4-107.0 129.5 30.0 73.6 45.6 32 35 A P E +G 27 0B 20 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.389 31.6 174.3 -81.9 151.8 27.7 71.9 43.1 33 36 A Y E +G 26 0B 6 -7,-1.8 -7,-0.6 1,-0.1 3,-0.1 -0.976 27.4 177.3-155.0 153.3 24.4 70.5 44.2 34 37 A E + 0 0 28 -2,-0.3 145,-0.3 -9,-0.1 2,-0.2 0.584 64.9 70.5-122.3 -40.4 21.3 68.9 42.7 35 38 A S S > S- 0 0 3 1,-0.1 4,-2.2 143,-0.1 5,-0.1 -0.474 74.6-127.8 -87.5 153.3 19.2 68.0 45.7 36 39 A F H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 112.0 56.7 -58.8 -39.6 17.2 69.9 48.2 37 40 A D H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 107.6 47.1 -61.0 -44.4 19.1 68.0 51.0 38 41 A E H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.931 110.8 52.9 -62.0 -48.1 22.5 69.1 49.6 39 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.924 109.5 47.9 -55.3 -47.0 21.3 72.7 49.3 40 43 A E H X S+ 0 0 68 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.892 112.6 47.9 -62.0 -41.7 20.1 72.8 53.0 41 44 A E H X S+ 0 0 77 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.953 113.4 48.1 -67.3 -45.2 23.3 71.3 54.3 42 45 A L H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.888 108.8 55.2 -60.6 -40.5 25.4 73.8 52.2 43 46 A Y H < S+ 0 0 27 -4,-2.9 4,-0.3 -5,-0.3 3,-0.3 0.949 111.1 43.4 -53.4 -51.4 23.3 76.6 53.4 44 47 A N H >< S+ 0 0 61 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.916 112.1 53.7 -66.0 -41.5 24.0 75.7 57.0 45 48 A K H 3< S+ 0 0 121 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.775 117.3 36.4 -60.8 -32.3 27.7 75.1 56.4 46 49 A H T >< S+ 0 0 32 -4,-1.9 3,-2.4 -3,-0.3 -1,-0.2 0.253 76.1 120.1-110.3 16.6 28.1 78.6 54.8 47 50 A I T < S+ 0 0 81 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.795 84.5 36.2 -58.7 -29.0 25.8 80.7 56.9 48 51 A H T 3 S+ 0 0 166 -3,-0.2 2,-0.6 -4,-0.2 -1,-0.3 0.347 87.2 115.4-104.8 8.3 28.7 83.0 58.1 49 52 A D X - 0 0 70 -3,-2.4 3,-0.8 1,-0.1 -3,-0.0 -0.690 48.7-163.3 -82.9 118.0 30.6 83.1 54.9 50 53 A N T 3 + 0 0 93 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.401 68.9 93.1 -84.7 9.3 30.6 86.7 53.5 51 54 A A T 3 S+ 0 0 33 1,-0.1 22,-2.5 21,-0.1 2,-0.3 0.669 94.3 29.2 -75.9 -15.5 31.8 85.6 49.9 52 55 A E < - 0 0 13 -3,-0.8 2,-0.3 19,-0.2 19,-0.2 -0.993 64.1-172.7-145.7 146.8 28.2 85.4 48.7 53 56 A R E - B 0 70A 71 17,-2.3 17,-2.9 -2,-0.3 2,-0.4 -0.992 9.7-164.7-140.7 134.7 25.0 87.2 49.7 54 57 A R E - B 0 69A 19 -2,-0.3 -47,-2.3 15,-0.2 2,-0.3 -0.967 6.1-175.6-130.7 150.7 21.4 86.4 48.5 55 58 A F E -AB 6 68A 15 13,-2.7 13,-2.6 -2,-0.4 2,-0.3 -0.956 14.1-145.1-142.6 149.1 18.2 88.1 48.6 56 59 A V E -AB 5 67A 0 -51,-3.1 -51,-2.4 -2,-0.3 2,-0.5 -0.892 13.3-141.6-116.4 148.5 14.6 87.3 47.6 57 60 A V E -AB 4 66A 0 9,-1.8 8,-2.9 -2,-0.3 9,-1.2 -0.949 24.0-176.7-114.6 129.8 12.2 89.8 46.1 58 61 A E E -AB 3 64A 16 -55,-2.3 -55,-2.6 -2,-0.5 6,-0.2 -0.912 18.3-128.4-124.8 148.1 8.6 89.5 47.3 59 62 A D > - 0 0 29 4,-1.9 3,-1.9 -2,-0.3 -57,-0.2 -0.320 43.1 -85.8 -83.3-179.8 5.4 91.4 46.4 60 63 A A T 3 S+ 0 0 45 -59,-0.5 -58,-0.1 1,-0.3 -1,-0.0 0.857 131.6 50.7 -48.3 -43.0 2.9 93.0 48.8 61 64 A Q T 3 S- 0 0 153 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.223 119.3-110.7 -84.7 13.4 1.1 89.6 49.2 62 65 A K < + 0 0 116 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.700 64.9 151.6 64.4 24.8 4.4 87.8 50.0 63 66 A N - 0 0 82 1,-0.0 -4,-1.9 2,-0.0 2,-0.5 -0.714 51.7-117.5 -76.3 133.8 4.6 85.8 46.8 64 67 A L E +B 58 0A 33 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.685 35.8 177.0 -77.7 123.8 8.3 85.2 45.9 65 68 A I E - 0 0 0 -8,-2.9 22,-2.5 -2,-0.5 2,-0.3 0.810 53.5 -33.9 -93.4 -42.7 9.1 86.9 42.6 66 69 A G E -BC 57 86A 0 -9,-1.2 -9,-1.8 20,-0.3 2,-0.4 -0.965 50.5-103.2-169.5-178.7 12.8 86.2 42.2 67 70 A L E -BC 56 85A 1 18,-2.3 18,-2.1 -2,-0.3 2,-0.4 -0.965 17.7-163.2-126.7 136.8 16.3 85.7 43.6 68 71 A V E -BC 55 84A 1 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.4 -0.994 16.2-174.3-115.0 126.6 19.2 88.2 43.5 69 72 A E E -BC 54 83A 20 14,-2.7 14,-2.0 -2,-0.4 2,-0.5 -0.987 14.8-167.5-127.1 133.8 22.6 86.6 44.2 70 73 A L E +BC 53 82A 2 -17,-2.9 -17,-2.3 -2,-0.4 2,-0.2 -0.982 22.5 169.7-115.2 122.1 26.0 88.3 44.7 71 74 A I E + C 0 81A 33 10,-2.7 10,-2.5 -2,-0.5 -19,-0.2 -0.733 50.3 37.8-126.9 177.0 28.8 85.9 44.6 72 75 A E E S- 0 0 76 -2,-0.2 2,-0.3 8,-0.2 -20,-0.2 0.848 75.1-177.2 50.6 39.1 32.7 86.1 44.4 73 76 A I E - 0 0 13 -22,-2.5 2,-0.4 -3,-0.2 7,-0.2 -0.488 7.2-172.0 -71.9 130.6 32.5 89.1 46.7 74 77 A N E >> - C 0 79A 60 5,-2.2 5,-1.1 -2,-0.3 4,-0.9 -0.991 15.4-161.2-127.9 125.7 36.0 90.6 47.3 75 78 A Y T 45S+ 0 0 109 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.0 0.437 86.9 51.5 -98.4 4.0 36.4 93.3 49.9 76 79 A I T 45S+ 0 0 140 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.842 122.4 29.1 -90.7 -53.6 39.8 94.6 48.7 77 80 A H T 45S- 0 0 131 2,-0.1 -2,-0.2 36,-0.0 37,-0.1 0.647 102.8-138.6 -83.5 -15.0 38.8 95.1 45.0 78 81 A R T <5 + 0 0 79 -4,-0.9 36,-2.6 1,-0.2 37,-1.7 0.935 54.4 132.3 59.6 55.4 35.2 95.7 46.2 79 82 A S E < +Cd 74 115A 23 -5,-1.1 -5,-2.2 35,-0.2 2,-0.3 -0.911 30.7 177.8-133.9 158.4 33.6 93.7 43.4 80 83 A A E - d 0 116A 0 35,-1.5 37,-2.1 -2,-0.3 2,-0.4 -0.982 28.8-119.7-159.9 154.4 31.0 91.0 43.0 81 84 A E E -Cd 71 117A 40 -10,-2.5 -10,-2.7 -2,-0.3 2,-0.3 -0.804 32.0-156.2 -99.2 137.0 29.3 89.0 40.4 82 85 A F E +C 70 0A 3 35,-2.7 37,-0.4 -2,-0.4 2,-0.3 -0.895 15.9 172.8-116.6 142.4 25.5 89.4 40.3 83 86 A Q E -C 69 0A 60 -14,-2.0 -14,-2.7 -2,-0.3 2,-0.4 -0.992 8.4-166.8-141.3 149.0 22.8 87.1 38.9 84 87 A I E -C 68 0A 17 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.984 1.9-171.1-130.7 148.7 19.0 87.3 39.1 85 88 A I E -C 67 0A 14 -18,-2.1 -18,-2.3 -2,-0.4 2,-0.4 -0.999 8.6-155.5-134.5 134.7 16.3 84.7 38.4 86 89 A I E -C 66 0A 18 -2,-0.4 -20,-0.3 -20,-0.2 5,-0.1 -0.922 31.1-105.9-110.1 137.7 12.7 85.4 38.2 87 90 A A > - 0 0 2 -22,-2.5 3,-2.7 -2,-0.4 4,-0.4 -0.366 33.3-115.9 -56.4 135.7 10.2 82.6 38.8 88 91 A P G > S+ 0 0 83 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.844 112.7 58.6 -48.5 -38.5 8.6 81.4 35.5 89 92 A E G 3 S+ 0 0 128 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.690 109.3 46.2 -71.9 -9.7 5.0 82.6 36.5 90 93 A H G X S+ 0 0 25 -3,-2.7 3,-0.9 -25,-0.2 5,-0.3 0.317 83.4 118.8-112.7 8.6 6.3 86.2 36.9 91 94 A Q T < S+ 0 0 117 -3,-1.5 -4,-0.0 -4,-0.4 0, 0.0 -0.337 73.5 20.6 -71.6 151.9 8.3 86.6 33.8 92 95 A G T 3 S+ 0 0 90 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.615 90.0 107.2 66.0 10.9 7.4 89.3 31.3 93 96 A K S < S- 0 0 131 -3,-0.9 -1,-0.1 0, 0.0 -2,-0.1 -0.002 98.3-103.8-101.4 25.5 5.4 91.3 33.8 94 97 A G S S+ 0 0 46 1,-0.1 4,-0.2 3,-0.0 -3,-0.1 0.905 86.2 122.4 50.0 52.2 8.2 94.0 34.0 95 98 A F > + 0 0 52 -5,-0.3 4,-2.3 2,-0.1 5,-0.2 0.613 51.7 78.3-107.8 -20.1 9.8 93.0 37.3 96 99 A A H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 93.0 52.8 -59.2 -36.2 13.4 92.3 36.1 97 100 A R H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 109.8 48.5 -64.0 -45.3 14.1 96.1 36.0 98 101 A T H > S+ 0 0 42 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.894 110.6 49.8 -60.3 -40.8 12.9 96.5 39.5 99 102 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.917 110.7 50.8 -67.0 -41.9 15.0 93.5 40.8 100 103 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.947 111.8 46.6 -60.5 -49.8 18.1 94.9 39.1 101 104 A N H X S+ 0 0 77 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.837 110.0 52.7 -59.2 -38.4 17.6 98.3 40.6 102 105 A R H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 112.4 46.0 -65.0 -39.3 17.0 96.9 44.1 103 106 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.888 114.3 47.6 -69.6 -41.1 20.2 94.9 43.8 104 107 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.929 111.1 51.5 -64.0 -45.7 22.2 97.8 42.5 105 108 A D H X S+ 0 0 72 -4,-2.9 4,-2.7 -5,-0.2 5,-0.5 0.953 114.1 42.7 -53.3 -51.5 20.8 100.0 45.2 106 109 A Y H X>S+ 0 0 67 -4,-2.2 5,-2.5 1,-0.2 4,-1.9 0.959 115.5 50.4 -63.5 -45.5 21.8 97.6 47.9 107 110 A S H <5S+ 0 0 0 -4,-3.0 6,-2.7 1,-0.2 -1,-0.2 0.888 122.4 30.1 -56.9 -41.7 25.2 96.9 46.4 108 111 A F H <5S+ 0 0 3 -4,-2.7 -1,-0.2 4,-0.2 -2,-0.2 0.744 125.6 37.7 -99.6 -26.3 26.2 100.5 46.0 109 112 A T H <5S+ 0 0 65 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.633 132.3 16.9-105.7 -16.6 24.4 102.3 48.8 110 113 A I T <5S+ 0 0 106 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.688 128.6 41.5-118.2 -47.6 24.7 99.8 51.7 111 114 A L S - 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