==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-12 4E8O . COMPND 2 MOLECULE: AAC(6')-IH PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.J.STOGIOS,G.MINASOV,A.DONG,E.EVDOKIMOVA,V.YIM,P.COURVALIN, . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 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 . 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 . 1 0.3 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 . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 4 2 1 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 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 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 0 A G 0 0 104 0, 0.0 2,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 77.2 4.2 -64.6 0.4 2 1 A M - 0 0 64 46,-0.1 2,-0.5 1,-0.0 48,-0.3 -0.414 360.0-149.6 -65.6 139.8 4.7 -61.3 -1.4 3 2 A N E -A 49 0A 91 46,-3.9 46,-3.7 -2,-0.1 2,-0.5 -0.961 3.6-155.4-116.3 131.6 3.2 -58.3 0.3 4 3 A I E +A 48 0A 44 -2,-0.5 44,-0.2 44,-0.3 42,-0.0 -0.905 24.5 164.9-104.8 125.9 1.9 -55.2 -1.5 5 4 A M E -A 47 0A 47 42,-2.7 42,-2.5 -2,-0.5 2,-0.1 -0.982 41.2-104.0-140.5 149.7 1.9 -52.0 0.4 6 5 A P E -A 46 0A 92 0, 0.0 2,-0.5 0, 0.0 40,-0.2 -0.431 52.7-100.6 -65.1 151.0 1.6 -48.2 -0.2 7 6 A I - 0 0 10 38,-2.0 2,-0.1 -2,-0.1 38,-0.1 -0.648 36.1-155.5 -86.7 124.7 4.9 -46.5 0.1 8 7 A S > - 0 0 49 -2,-0.5 3,-2.1 1,-0.1 30,-0.0 -0.470 33.9-101.8 -92.2 166.4 5.7 -44.7 3.4 9 8 A E T 3 S+ 0 0 131 1,-0.3 3,-0.4 -2,-0.1 -1,-0.1 0.634 121.0 57.5 -64.8 -12.5 8.2 -41.8 3.9 10 9 A S T 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.307 94.5 65.2-100.5 7.7 10.7 -44.3 5.4 11 10 A Q <> + 0 0 34 -3,-2.1 4,-1.8 1,-0.1 -1,-0.2 -0.025 60.0 116.1-117.6 27.3 10.8 -46.5 2.3 12 11 A L H > S+ 0 0 35 -3,-0.4 4,-3.4 1,-0.2 5,-0.2 0.815 70.8 62.3 -64.8 -30.5 12.3 -44.0 -0.1 13 12 A S H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 108.2 38.0 -61.2 -56.7 15.4 -46.3 -0.4 14 13 A D H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.883 119.4 50.0 -61.6 -40.8 13.6 -49.3 -1.9 15 14 A W H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.935 111.8 47.3 -63.5 -48.1 11.4 -47.0 -4.0 16 15 A L H X S+ 0 0 17 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.918 108.5 55.4 -59.4 -46.1 14.3 -45.0 -5.3 17 16 A A H X S+ 0 0 57 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.849 116.3 36.0 -58.1 -39.4 16.3 -48.2 -6.2 18 17 A L H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.820 115.2 56.0 -82.3 -33.5 13.5 -49.6 -8.4 19 18 A R H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.787 103.5 55.3 -68.9 -29.9 12.5 -46.1 -9.6 20 19 A C H < S+ 0 0 33 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.798 106.6 50.5 -72.9 -30.5 16.0 -45.5 -10.9 21 20 A L H < S+ 0 0 97 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 0.890 115.5 42.4 -72.3 -40.8 15.9 -48.7 -13.0 22 21 A L H < S+ 0 0 49 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.931 134.8 16.6 -69.8 -47.3 12.6 -47.7 -14.5 23 22 A W S < S- 0 0 90 -4,-2.6 2,-0.3 -5,-0.1 -1,-0.3 -0.753 80.0-148.0-131.5 85.7 13.6 -44.1 -15.1 24 23 A P + 0 0 112 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.359 46.2 125.3 -56.0 113.7 17.4 -43.5 -14.9 25 24 A D - 0 0 87 -2,-0.3 2,-0.2 -5,-0.0 -2,-0.0 -0.852 64.2 -62.4-152.2-174.0 17.9 -39.9 -13.5 26 25 A H >> - 0 0 138 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.575 43.3-122.3 -87.7 148.1 19.7 -38.3 -10.6 27 26 A E H 3> S+ 0 0 124 1,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.841 106.9 50.3 -59.8 -45.3 18.8 -39.2 -7.0 28 27 A D H 3> S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.812 110.3 52.3 -66.6 -30.1 17.9 -35.8 -5.6 29 28 A V H <> S+ 0 0 55 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.968 114.2 42.2 -64.4 -56.4 15.6 -35.2 -8.5 30 29 A H H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.948 112.7 55.0 -49.0 -56.9 13.8 -38.5 -7.9 31 30 A L H X S+ 0 0 55 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.840 108.3 44.2 -54.0 -46.9 13.7 -38.0 -4.1 32 31 A Q H X S+ 0 0 121 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.786 114.7 50.2 -74.6 -27.4 12.0 -34.6 -4.0 33 32 A E H X S+ 0 0 84 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.907 111.3 50.7 -68.5 -42.5 9.5 -35.7 -6.6 34 33 A M H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.878 106.7 52.9 -63.0 -41.5 8.9 -38.8 -4.5 35 34 A R H X S+ 0 0 151 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.856 109.8 48.9 -64.6 -35.9 8.3 -36.9 -1.3 36 35 A Q H >< S+ 0 0 109 -4,-1.2 3,-1.0 1,-0.2 4,-0.4 0.913 106.3 57.0 -67.6 -44.0 5.7 -34.7 -3.0 37 36 A L H >< S+ 0 0 7 -4,-2.0 3,-1.7 1,-0.2 6,-0.2 0.845 96.3 63.5 -55.5 -40.4 3.8 -37.7 -4.4 38 37 A I H 3< S+ 0 0 48 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 103.5 47.6 -59.3 -32.0 3.3 -39.3 -1.0 39 38 A T T << S+ 0 0 115 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.3 0.475 89.8 105.8 -89.0 -3.9 1.1 -36.5 0.2 40 39 A Q X - 0 0 60 -3,-1.7 3,-1.2 -4,-0.4 -3,-0.0 -0.678 55.3-158.5 -90.8 127.0 -1.1 -36.4 -2.9 41 40 A A T 3 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.760 94.2 55.2 -70.4 -27.8 -4.6 -37.7 -2.8 42 41 A H T 3 S+ 0 0 77 21,-0.1 21,-1.9 20,-0.0 2,-0.3 0.320 100.6 80.3 -87.5 8.5 -4.8 -38.2 -6.5 43 42 A R E < - B 0 62A 34 -3,-1.2 2,-0.4 19,-0.2 19,-0.2 -0.873 54.0-171.1-119.6 149.1 -1.7 -40.4 -6.5 44 43 A L E + B 0 61A 24 17,-2.5 17,-2.7 -2,-0.3 2,-0.4 -0.990 5.4 178.2-136.4 128.9 -1.0 -44.0 -5.6 45 44 A Q E - B 0 60A 13 -2,-0.4 -38,-2.0 15,-0.2 2,-0.3 -0.989 9.7-174.0-133.5 127.0 2.5 -45.6 -5.2 46 45 A L E -AB 6 59A 6 13,-2.7 13,-2.0 -2,-0.4 2,-0.4 -0.847 13.5-161.7-122.4 152.6 3.0 -49.2 -4.2 47 46 A L E -AB 5 58A 0 -42,-2.5 -42,-2.7 -2,-0.3 2,-0.5 -0.981 13.7-143.7-126.0 143.5 5.9 -51.5 -3.4 48 47 A A E -AB 4 57A 0 9,-2.6 8,-2.5 -2,-0.4 9,-0.9 -0.932 19.2-166.1-105.2 130.9 5.9 -55.3 -3.4 49 48 A Y E -AB 3 55A 12 -46,-3.7 -46,-3.9 -2,-0.5 6,-0.2 -0.928 6.0-148.4-119.7 140.9 7.9 -57.1 -0.7 50 49 A T > - 0 0 14 4,-1.7 3,-0.6 -2,-0.4 -47,-0.1 0.011 43.1 -82.5 -83.6-163.6 8.9 -60.7 -0.4 51 50 A D T 3 S+ 0 0 124 1,-0.2 -1,-0.0 2,-0.1 -49,-0.0 0.911 131.4 51.8 -64.6 -47.3 9.5 -62.9 2.7 52 51 A T T 3 S- 0 0 114 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.362 121.5-110.9 -74.7 8.3 13.0 -61.5 3.2 53 52 A Q < + 0 0 159 -3,-0.6 2,-0.5 1,-0.2 -2,-0.1 0.901 65.2 158.1 55.1 44.8 11.4 -58.1 3.0 54 53 A Q - 0 0 82 -40,-0.0 -4,-1.7 2,-0.0 2,-0.5 -0.873 45.1-125.5 -97.1 126.2 13.2 -57.5 -0.3 55 54 A A E +B 49 0A 11 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.614 41.1 161.8 -71.6 119.8 11.6 -54.9 -2.5 56 55 A I E + 0 0 0 -8,-2.5 29,-3.0 -2,-0.5 2,-0.3 0.491 56.5 22.8-121.1 -9.9 10.9 -56.6 -5.9 57 56 A A E -BC 48 84A 0 -9,-0.9 -9,-2.6 27,-0.2 2,-0.3 -0.991 54.1-170.3-157.4 151.3 8.3 -54.4 -7.6 58 57 A M E -BC 47 83A 0 25,-2.8 25,-2.8 -2,-0.3 2,-0.3 -0.977 3.0-172.6-140.0 155.1 7.0 -50.9 -7.6 59 58 A L E -BC 46 82A 0 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.4 -0.994 4.4-167.2-145.1 144.6 4.0 -49.1 -9.3 60 59 A E E +BC 45 81A 2 21,-3.2 21,-2.0 -2,-0.3 20,-1.6 -0.994 15.6 166.6-128.3 141.0 2.9 -45.5 -9.6 61 60 A A E -BC 44 79A 0 -17,-2.7 -17,-2.5 -2,-0.4 2,-0.3 -0.969 12.0-162.7-147.3 163.9 -0.5 -44.3 -10.7 62 61 A S E -BC 43 78A 2 16,-2.3 16,-2.4 -2,-0.3 2,-0.5 -0.928 25.2-115.9-141.4 163.1 -2.7 -41.2 -10.8 63 62 A I E - C 0 77A 2 -21,-1.9 2,-0.5 -2,-0.3 14,-0.2 -0.924 33.6-154.1 -98.4 128.4 -6.2 -39.9 -11.2 64 63 A R E + C 0 76A 26 12,-2.7 12,-1.4 -2,-0.5 4,-0.1 -0.907 21.9 176.9-108.8 129.9 -6.5 -37.7 -14.3 65 64 A Y + 0 0 117 -2,-0.5 2,-0.2 10,-0.2 -1,-0.1 0.563 65.3 73.2-106.4 -12.3 -9.2 -35.0 -14.7 66 65 A E S S- 0 0 44 1,-0.1 10,-0.2 10,-0.1 147,-0.0 -0.663 104.9 -68.0 -98.5 160.3 -8.1 -33.7 -18.0 67 66 A Y - 0 0 112 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.192 46.4-162.8 -57.3 123.3 -8.6 -35.6 -21.3 68 67 A V > - 0 0 7 5,-0.3 3,-1.7 -4,-0.1 5,-0.1 -0.929 30.6-105.1-105.2 127.6 -6.6 -38.8 -21.7 69 68 A N T 3 S+ 0 0 15 -2,-0.5 68,-0.1 1,-0.2 222,-0.1 -0.168 100.9 18.5 -50.5 134.2 -6.3 -40.2 -25.2 70 69 A G T 3 S+ 0 0 10 1,-0.3 -1,-0.2 66,-0.1 2,-0.2 0.257 101.0 107.7 91.2 -12.7 -8.5 -43.3 -26.0 71 70 A T < - 0 0 9 -3,-1.7 -1,-0.3 1,-0.1 3,-0.0 -0.508 48.5-166.8 -94.9 163.9 -10.9 -42.8 -23.0 72 71 A Q + 0 0 159 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.224 69.9 67.2-130.7 8.8 -14.5 -41.7 -23.1 73 72 A T S S- 0 0 48 -5,-0.1 -5,-0.3 0, 0.0 -2,-0.1 -0.883 74.5-119.2-125.2 158.8 -14.9 -41.0 -19.3 74 73 A S S S+ 0 0 81 -2,-0.3 2,-0.2 1,-0.1 -9,-0.1 -0.955 86.8 31.0-147.7 132.9 -13.4 -38.5 -16.9 75 74 A P S S+ 0 0 26 0, 0.0 36,-0.5 0, 0.0 37,-0.3 0.591 77.4 175.3 -79.0 172.7 -11.8 -38.9 -14.5 76 75 A V E -C 64 0A 2 -12,-1.4 -12,-2.7 -2,-0.2 2,-0.2 -0.951 33.2-112.1-132.7 154.6 -9.8 -42.0 -15.3 77 76 A A E -Cd 63 113A 0 35,-2.3 37,-2.7 -2,-0.3 2,-0.4 -0.589 34.7-157.5 -77.8 152.9 -7.0 -43.9 -13.5 78 77 A F E -Cd 62 114A 9 -16,-2.4 -16,-2.3 -2,-0.2 2,-0.8 -0.989 16.3-133.3-138.7 129.1 -3.7 -43.7 -15.2 79 78 A L E +C 61 0A 5 35,-2.3 37,-0.5 -2,-0.4 -18,-0.2 -0.704 24.7 177.7 -81.0 109.5 -0.7 -46.0 -14.9 80 79 A E E - 0 0 46 -20,-1.6 2,-0.3 -2,-0.8 -19,-0.2 0.842 63.3 -25.9 -81.7 -35.7 2.3 -43.7 -14.5 81 80 A G E -C 60 0A 8 -21,-2.0 -21,-3.2 2,-0.0 -1,-0.3 -0.945 51.0-170.3-174.1 153.8 4.9 -46.5 -14.1 82 81 A I E +C 59 0A 14 -2,-0.3 2,-0.4 -23,-0.3 -23,-0.2 -0.965 7.1 179.8-152.2 135.1 5.4 -50.1 -13.1 83 82 A F E -C 58 0A 27 -25,-2.8 -25,-2.8 -2,-0.3 2,-0.4 -0.985 4.1-178.1-139.1 130.4 8.6 -52.1 -12.6 84 83 A V E -C 57 0A 8 -2,-0.4 -27,-0.2 -27,-0.2 5,-0.1 -0.988 39.4-107.2-119.8 135.4 9.1 -55.7 -11.5 85 84 A L > - 0 0 22 -29,-3.0 3,-2.2 -2,-0.4 4,-0.4 -0.389 35.2-117.2 -55.3 137.5 12.6 -57.2 -11.0 86 85 A P G > S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.835 112.7 56.4 -47.9 -42.1 13.2 -59.6 -14.0 87 86 A E G 3 S+ 0 0 137 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.639 109.0 45.6 -68.7 -17.8 13.4 -62.6 -11.7 88 87 A Y G X S+ 0 0 66 -3,-2.2 3,-0.8 -32,-0.2 5,-0.4 0.273 84.1 91.5-113.2 9.0 10.0 -62.0 -10.1 89 88 A R G X S+ 0 0 135 -3,-1.2 3,-1.9 -4,-0.4 5,-0.2 0.852 77.6 63.3 -72.1 -35.5 7.9 -61.3 -13.2 90 89 A R G 3 S+ 0 0 245 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.561 93.2 67.7 -67.3 -6.5 6.9 -64.9 -13.7 91 90 A S G < S- 0 0 67 -3,-0.8 -1,-0.3 0, 0.0 -2,-0.2 0.531 105.1-124.7 -90.5 -8.5 5.1 -64.7 -10.3 92 91 A G <> + 0 0 38 -3,-1.9 4,-0.6 -4,-0.1 -3,-0.1 0.981 62.1 141.7 58.7 58.7 2.4 -62.3 -11.6 93 92 A I H > + 0 0 11 -5,-0.4 4,-1.5 -4,-0.2 5,-0.1 0.667 68.3 63.1 -95.1 -25.0 3.0 -59.5 -9.0 94 93 A A H > S+ 0 0 18 -5,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 101.3 52.4 -61.8 -40.7 2.4 -56.9 -11.7 95 94 A T H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 109.0 48.7 -60.0 -47.1 -1.1 -58.3 -12.0 96 95 A G H X S+ 0 0 16 -4,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.750 110.0 52.8 -66.5 -25.9 -1.6 -57.9 -8.2 97 96 A L H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.877 108.0 49.9 -75.0 -40.6 -0.3 -54.4 -8.4 98 97 A V H >X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 3,-0.6 0.910 106.1 57.0 -62.3 -43.2 -2.7 -53.4 -11.1 99 98 A Q H 3X S+ 0 0 109 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.841 102.1 55.4 -58.2 -36.1 -5.6 -54.8 -9.1 100 99 A Q H 3X S+ 0 0 84 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.825 106.7 50.9 -69.0 -31.4 -4.8 -52.5 -6.2 101 100 A V H <>S+ 0 0 0 -4,-3.2 5,-1.7 2,-0.2 3,-1.5 0.878 107.5 55.0 -73.4 -41.7 -9.7 -46.1 -8.8 106 105 A K H ><5S+ 0 0 86 -4,-3.4 3,-1.5 1,-0.3 -1,-0.2 0.881 106.7 52.6 -52.6 -43.0 -13.2 -47.6 -8.4 107 106 A Q T 3<5S+ 0 0 142 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.463 105.3 56.1 -78.0 -1.3 -13.3 -45.8 -5.0 108 107 A F T < 5S- 0 0 54 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.165 123.5-105.2-109.1 13.3 -12.4 -42.6 -6.8 109 108 A A T < 5S+ 0 0 81 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.895 73.5 142.7 58.8 45.5 -15.4 -42.9 -9.2 110 109 A C < + 0 0 4 -5,-1.7 -1,-0.2 -8,-0.2 -34,-0.2 -0.891 29.8 177.1-110.1 147.0 -13.3 -44.1 -12.2 111 110 A T + 0 0 79 -36,-0.5 184,-3.2 -2,-0.4 2,-0.3 0.444 66.8 60.8-122.6 -10.7 -14.5 -46.7 -14.7 112 111 A E E - E 0 294A 6 -37,-0.3 -35,-2.3 182,-0.2 2,-0.5 -0.931 60.3-158.5-122.6 147.9 -11.6 -46.7 -17.1 113 112 A F E -dE 77 293A 0 180,-2.6 180,-1.7 -2,-0.3 -35,-0.2 -0.948 21.7-175.3-127.9 105.2 -7.9 -47.4 -16.5 114 113 A A E +dE 78 292A 0 -37,-2.7 -35,-2.3 -2,-0.5 2,-0.3 -0.556 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