==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-OCT-08 3F0A . COMPND 2 MOLECULE: N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,S.CLANCY, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 25.8 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 . 3 1.9 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 . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 1 1 0 0 1 1 0 0 0 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 2 0 1 2 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 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 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 0 136 0, 0.0 2,-0.5 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 96.0 9.6 1.7 -36.1 2 2 A S - 0 0 76 2,-0.0 69,-1.5 0, 0.0 2,-0.5 -0.795 360.0-160.1 -92.1 124.2 12.5 4.2 -36.4 3 3 A I E -A 70 0A 46 -2,-0.5 2,-0.4 67,-0.2 67,-0.2 -0.927 6.2-170.5-110.2 126.2 14.2 5.0 -33.0 4 4 A E E -A 69 0A 99 65,-2.4 65,-2.7 -2,-0.5 2,-0.5 -0.906 8.8-154.6-110.6 135.8 16.4 8.1 -32.6 5 5 A I E +A 68 0A 37 -2,-0.4 2,-0.3 63,-0.2 63,-0.2 -0.957 31.1 144.9-109.8 122.8 18.5 8.8 -29.5 6 6 A R E -A 67 0A 114 61,-1.8 61,-2.7 -2,-0.5 2,-0.1 -0.975 54.2 -83.0-147.2 162.4 19.3 12.4 -28.7 7 7 A K E -A 66 0A 52 -2,-0.3 59,-0.3 59,-0.2 2,-0.1 -0.442 52.9-113.2 -62.3 141.2 19.8 14.7 -25.8 8 8 A L - 0 0 0 57,-2.4 2,-0.3 -2,-0.1 57,-0.1 -0.363 30.6-158.3 -69.5 155.9 16.5 16.0 -24.3 9 9 A S > - 0 0 37 -2,-0.1 3,-2.5 48,-0.0 4,-0.3 -0.819 37.5 -92.2-130.5 168.0 15.6 19.6 -24.6 10 10 A I G > S+ 0 0 91 1,-0.3 3,-1.7 -2,-0.3 4,-0.3 0.799 122.1 64.4 -57.7 -28.8 13.2 21.7 -22.6 11 11 A E G 3 S+ 0 0 144 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.615 92.9 64.7 -68.1 -12.4 10.4 21.1 -25.1 12 12 A D G <> S+ 0 0 18 -3,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.564 76.7 96.5 -85.3 -5.9 10.6 17.4 -24.2 13 13 A L H <> S+ 0 0 8 -3,-1.7 4,-2.2 -4,-0.3 5,-0.2 0.880 78.8 46.4 -52.1 -57.1 9.5 18.2 -20.6 14 14 A E H > S+ 0 0 145 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.852 117.3 41.7 -61.6 -38.4 5.7 17.4 -20.7 15 15 A T H > S+ 0 0 75 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.770 109.7 61.1 -81.4 -21.2 6.0 14.1 -22.5 16 16 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.939 104.4 48.5 -63.2 -48.4 9.0 13.2 -20.4 17 17 A I H X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.904 111.0 50.7 -59.7 -41.5 6.8 13.4 -17.3 18 18 A E H X S+ 0 0 98 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.900 110.2 48.6 -67.3 -37.3 4.1 11.2 -19.0 19 19 A V H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.977 112.6 49.2 -62.1 -52.6 6.6 8.5 -19.9 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.931 112.7 47.6 -50.2 -51.6 8.0 8.5 -16.4 21 21 A R H X S+ 0 0 65 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.946 114.5 45.1 -56.4 -50.9 4.5 8.3 -14.9 22 22 A E H X S+ 0 0 81 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.858 116.2 45.6 -64.0 -38.5 3.4 5.5 -17.3 23 23 A S H X S+ 0 0 4 -4,-3.0 4,-3.3 -5,-0.2 5,-0.2 0.923 113.4 50.8 -72.1 -45.1 6.6 3.5 -16.8 24 24 A W H X S+ 0 0 10 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.949 107.0 51.5 -57.5 -53.9 6.6 4.0 -13.0 25 25 A K H < S+ 0 0 128 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.923 118.7 40.2 -50.4 -45.4 2.9 2.8 -12.5 26 26 A W H >< S+ 0 0 115 -4,-1.5 3,-1.6 -5,-0.2 4,-0.2 0.968 114.0 49.8 -66.6 -56.9 3.8 -0.4 -14.5 27 27 A T H 3< S+ 0 0 24 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.838 119.3 35.9 -53.6 -41.4 7.3 -1.1 -13.1 28 28 A Y T >X S+ 0 0 15 -4,-2.4 4,-1.8 -5,-0.2 3,-1.5 0.077 74.4 124.5-107.3 27.2 6.3 -0.8 -9.4 29 29 A A T <4 S+ 0 0 79 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.822 89.1 29.9 -56.6 -32.9 2.8 -2.3 -9.6 30 30 A G T 34 S+ 0 0 69 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.327 123.1 52.1-106.5 9.5 3.7 -4.9 -6.9 31 31 A I T <4 S+ 0 0 38 -3,-1.5 2,-0.2 1,-0.3 -2,-0.2 0.847 109.7 21.2-111.8 -57.4 6.3 -2.8 -5.1 32 32 A Y S < S- 0 0 55 -4,-1.8 -1,-0.3 -7,-0.1 2,-0.1 -0.738 80.5-101.9-112.9 165.8 4.8 0.7 -4.2 33 33 A S > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.446 34.4-107.4 -83.8 157.1 1.2 1.9 -3.8 34 34 A E H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.864 121.6 45.3 -49.6 -42.2 -0.6 4.0 -6.4 35 35 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.902 106.4 57.2 -70.3 -43.6 -0.3 7.1 -4.2 36 36 A Y H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.928 112.6 44.2 -52.5 -43.5 3.4 6.5 -3.3 37 37 A I H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.897 111.1 51.5 -68.1 -44.3 4.0 6.6 -7.1 38 38 A E H X S+ 0 0 105 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.796 114.2 45.8 -63.9 -31.4 1.8 9.6 -7.8 39 39 A S H X S+ 0 0 36 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.918 111.0 51.5 -77.7 -44.4 3.7 11.5 -5.1 40 40 A W H X>S+ 0 0 71 -4,-2.7 4,-2.9 -5,-0.3 5,-1.0 0.925 112.5 46.5 -54.7 -46.0 7.1 10.3 -6.4 41 41 A I H X5S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.926 114.5 47.8 -62.2 -43.7 6.1 11.5 -9.9 42 42 A R H <5S+ 0 0 134 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 122.5 32.6 -65.5 -39.3 4.9 14.9 -8.5 43 43 A E H <5S+ 0 0 96 -4,-3.0 3,-0.4 2,-0.1 -2,-0.2 0.847 128.5 29.4 -89.8 -41.3 7.9 15.5 -6.3 44 44 A K H <5S+ 0 0 68 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.812 124.3 44.3 -90.3 -35.2 10.9 14.0 -8.1 45 45 A Y S < - 0 0 28 -3,-0.4 4,-2.4 1,-0.1 5,-0.3 -0.334 61.2-112.7 -75.0 158.7 8.5 17.9 -11.3 47 47 A K H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 115.6 48.5 -53.2 -48.5 8.6 20.4 -14.1 48 48 A E H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.943 112.4 45.0 -62.8 -50.0 11.2 22.5 -12.3 49 49 A K H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.941 115.8 46.1 -60.9 -50.9 13.6 19.7 -11.3 50 50 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.884 110.7 54.5 -60.3 -37.9 13.6 18.0 -14.7 51 51 A L H X S+ 0 0 42 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.970 109.3 46.5 -61.4 -52.5 14.0 21.3 -16.4 52 52 A N H X S+ 0 0 84 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.871 114.9 48.2 -53.8 -40.3 17.1 22.1 -14.4 53 53 A E H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.900 110.7 49.9 -68.0 -41.2 18.4 18.6 -15.1 54 54 A I H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.895 113.1 48.7 -64.4 -39.2 17.7 18.9 -18.8 55 55 A V H X S+ 0 0 66 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.925 108.6 50.6 -67.6 -45.3 19.5 22.2 -18.8 56 56 A R H <>S+ 0 0 48 -4,-2.5 5,-2.6 1,-0.2 7,-0.5 0.878 114.1 47.2 -62.0 -34.7 22.5 20.9 -17.0 57 57 A S H ><5S+ 0 0 0 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.899 112.0 48.0 -67.7 -44.9 22.7 18.1 -19.6 58 58 A Q H 3<5S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.822 110.2 53.8 -64.4 -32.4 22.3 20.4 -22.5 59 59 A S T 3<5S- 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.436 114.9-120.2 -84.6 -1.0 25.0 22.6 -21.0 60 60 A N T < 5S+ 0 0 96 -3,-1.2 -3,-0.2 3,-0.2 -2,-0.1 0.820 72.6 119.2 67.0 37.5 27.3 19.6 -20.9 61 61 A L S S-AB 3 73A 2 3,-2.7 3,-0.9 -2,-0.5 -67,-0.2 -0.877 84.8 -23.3-105.9 99.3 9.9 6.6 -32.0 71 71 A D T 3 S- 0 0 109 -69,-1.5 -1,-0.2 -2,-0.8 -68,-0.1 0.831 129.1 -49.4 69.7 34.6 8.7 8.5 -35.1 72 72 A S T 3 S+ 0 0 93 -70,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.333 116.5 115.2 87.6 -5.6 9.4 11.8 -33.2 73 73 A T E < S-B 70 0A 76 -3,-0.9 -3,-2.7 -58,-0.0 2,-0.3 -0.849 70.2-122.0 -99.7 124.9 7.4 10.7 -30.1 74 74 A L E +B 69 0A 6 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.513 41.3 160.2 -68.2 127.1 9.4 10.3 -26.9 75 75 A I E + 0 0 0 -7,-2.8 20,-2.7 -2,-0.3 2,-0.3 0.403 59.6 6.7-127.3 -0.3 9.1 6.7 -25.6 76 76 A G E -BC 68 94A 0 -8,-0.9 -8,-1.8 18,-0.3 2,-0.3 -0.980 57.3-163.3-170.1 166.0 12.0 6.2 -23.2 77 77 A F E -BC 67 93A 0 16,-2.0 16,-1.9 -2,-0.3 2,-0.4 -0.992 8.9-155.2-160.4 156.7 14.9 8.0 -21.5 78 78 A I E -BC 66 92A 0 -12,-2.6 -12,-2.2 -2,-0.3 2,-0.4 -0.980 11.3-169.9-131.2 145.6 18.1 7.6 -19.6 79 79 A E E -BC 65 91A 0 12,-2.7 12,-2.0 -2,-0.4 11,-1.3 -0.976 3.6-175.6-138.9 124.9 19.7 10.0 -17.2 80 80 A L E -BC 64 89A 0 -16,-3.1 -16,-2.2 -2,-0.4 2,-0.5 -0.846 14.5-146.4-115.2 156.2 23.2 9.8 -15.8 81 81 A K E -BC 63 88A 76 7,-2.1 7,-1.6 -2,-0.3 2,-0.5 -0.985 14.5-153.9-122.4 124.0 25.0 11.9 -13.2 82 82 A I E + C 0 87A 26 -20,-1.9 2,-0.4 -2,-0.5 5,-0.2 -0.846 19.3 169.6-105.1 130.8 28.7 12.6 -13.4 83 83 A I E > - C 0 86A 124 3,-2.1 3,-1.7 -2,-0.5 -2,-0.0 -0.986 70.0 -43.9-133.0 121.5 31.1 13.4 -10.5 84 84 A A T 3 S- 0 0 89 -2,-0.4 36,-0.0 1,-0.2 0, 0.0 -0.313 122.6 -22.4 54.1-132.4 34.8 13.3 -11.5 85 85 A N T 3 S+ 0 0 99 -3,-0.1 36,-1.2 35,-0.1 37,-0.6 0.000 122.4 83.3 -94.7 27.0 35.5 10.2 -13.6 86 86 A K E < -Cd 83 122A 120 -3,-1.7 -3,-2.1 34,-0.2 2,-0.3 -0.951 57.0-155.4-136.1 150.7 32.5 8.2 -12.4 87 87 A A E -Cd 82 123A 6 35,-2.4 37,-2.0 -2,-0.3 2,-0.4 -0.890 8.2-154.5-126.9 155.4 28.8 7.9 -13.3 88 88 A E E -Cd 81 124A 61 -7,-1.6 -7,-2.1 -2,-0.3 2,-1.4 -0.995 21.7-134.9-123.5 130.5 25.6 6.9 -11.7 89 89 A L E +C 80 0A 5 35,-2.8 37,-0.5 -2,-0.4 -9,-0.2 -0.728 29.9 176.3 -83.5 95.7 22.8 5.7 -13.9 90 90 A L E + 0 0 64 -2,-1.4 2,-0.4 -11,-1.3 -1,-0.2 0.936 59.5 7.2 -65.2 -47.9 20.0 7.7 -12.1 91 91 A R E +C 79 0A 29 -12,-2.0 -12,-2.7 -3,-0.2 2,-0.3 -0.997 46.5 166.8-147.5 142.2 17.2 6.7 -14.5 92 92 A L E +C 78 0A 21 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.829 25.5 153.4-151.2 112.8 16.2 4.4 -17.3 93 93 A Y E -C 77 0A 32 -16,-1.9 -16,-2.0 -2,-0.3 2,-0.3 -1.000 18.2-172.6-145.1 139.0 12.5 4.0 -18.2 94 94 A L E -C 76 0A 16 -2,-0.3 -18,-0.3 -18,-0.2 5,-0.1 -0.901 43.6 -90.1-124.4 160.8 10.4 3.2 -21.3 95 95 A K > - 0 0 55 -20,-2.7 3,-2.7 -2,-0.3 4,-0.3 -0.550 47.0-119.6 -60.2 131.4 6.7 3.2 -22.0 96 96 A P G > S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.791 112.9 58.9 -45.5 -37.4 5.8 -0.4 -21.0 97 97 A E G 3 S+ 0 0 164 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.676 104.8 52.7 -69.1 -16.1 4.5 -1.2 -24.5 98 98 A Y G < S+ 0 0 63 -3,-2.7 3,-0.5 -23,-0.2 5,-0.4 0.304 86.7 109.9-101.5 4.1 8.0 -0.3 -25.8 99 99 A T < + 0 0 40 -3,-1.4 -4,-0.0 -4,-0.3 -6,-0.0 -0.257 65.9 33.8 -73.6 166.5 10.0 -2.7 -23.5 100 100 A H S S+ 0 0 192 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.744 88.2 102.1 61.6 27.2 11.8 -5.9 -24.6 101 101 A K S S- 0 0 105 -3,-0.5 -1,-0.1 0, 0.0 -2,-0.1 0.228 100.0-102.6-120.0 12.7 12.7 -4.4 -28.0 102 102 A K S > S+ 0 0 142 3,-0.0 4,-1.9 1,-0.0 5,-0.1 0.546 89.9 121.0 79.9 8.9 16.4 -3.5 -27.3 103 103 A I H > S+ 0 0 6 -5,-0.4 4,-2.0 2,-0.2 5,-0.1 0.873 74.1 49.6 -73.2 -36.4 15.5 0.2 -26.8 104 104 A G H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 110.8 50.3 -62.9 -49.2 16.8 0.1 -23.2 105 105 A K H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 108.8 53.8 -54.5 -40.2 20.0 -1.5 -24.5 106 106 A T H X S+ 0 0 55 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.877 108.3 47.3 -64.6 -42.2 20.3 1.2 -27.1 107 107 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.929 112.4 51.0 -63.5 -45.6 20.0 4.1 -24.6 108 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.908 108.7 50.8 -57.7 -43.7 22.7 2.3 -22.4 109 109 A L H X S+ 0 0 87 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.874 110.0 51.0 -64.2 -37.6 25.1 2.0 -25.4 110 110 A E H X S+ 0 0 70 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.925 111.5 45.9 -63.9 -48.1 24.7 5.7 -26.2 111 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 113.1 51.3 -60.0 -42.1 25.4 6.7 -22.7 112 112 A E H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.883 106.8 53.4 -66.0 -36.9 28.4 4.3 -22.6 113 113 A K H X S+ 0 0 154 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.927 112.0 44.9 -62.3 -42.2 29.6 5.8 -25.8 114 114 A I H X S+ 0 0 37 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.858 110.6 54.0 -71.3 -33.7 29.5 9.3 -24.3 115 115 A X H X>S+ 0 0 3 -4,-2.6 5,-2.7 2,-0.2 4,-0.5 0.896 108.2 49.8 -66.0 -40.5 31.1 8.1 -21.1 116 116 A K H ><5S+ 0 0 174 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.861 108.2 52.5 -66.2 -36.5 34.0 6.7 -23.0 117 117 A K H 3<5S+ 0 0 178 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.3 46.6 -62.5 -37.1 34.4 10.0 -24.9 118 118 A K H 3<5S- 0 0 74 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.468 115.4-112.4 -86.9 -1.1 34.5 11.6 -21.4 119 119 A G T <<5 + 0 0 34 -3,-0.7 2,-0.6 -4,-0.5 -3,-0.2 0.629 62.6 153.2 80.1 12.2 37.0 9.2 -19.8 120 120 A I < + 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -34,-0.2 -0.692 15.8 173.6 -81.6 116.7 34.4 7.8 -17.4 121 121 A L + 0 0 104 -36,-1.2 38,-2.5 -2,-0.6 2,-0.4 0.377 56.2 53.1-105.3 0.0 35.4 4.2 -16.5 122 122 A E E -dE 86 158A 51 -37,-0.6 -35,-2.4 36,-0.2 2,-0.4 -0.999 53.9-178.2-142.9 139.3 32.9 3.3 -13.8 123 123 A C E +dE 87 157A 0 34,-2.6 34,-3.6 -2,-0.4 2,-0.3 -1.000 7.9 178.4-138.3 135.9 29.2 3.3 -13.7 124 124 A R E -dE 88 156A 94 -37,-2.0 -35,-2.8 -2,-0.4 2,-0.3 -0.920 2.0-178.8-138.8 163.4 26.9 2.4 -10.8 125 125 A L E - 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