==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUN-08 2K5T . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YHHK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR J.R.CORT,A.YEE,G.T.MONTELIONE,C.H.ARROWSMITH,M.A.KENNEDY, . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 25.0 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 . 4 3.1 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 . 32 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 0 0 1 1 1 0 0 0 0 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 1 0 2 0 0 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 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 M 0 0 191 0, 0.0 2,-0.5 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 104.7 94.0 -17.7 1.7 2 2 A K - 0 0 172 2,-0.0 2,-0.6 0, 0.0 43,-0.3 -0.975 360.0-128.1-116.5 130.1 96.2 -15.3 3.6 3 3 A L - 0 0 12 -2,-0.5 2,-1.0 41,-0.1 41,-0.2 -0.645 21.6-140.0 -76.0 115.9 97.4 -12.0 2.1 4 4 A T E -A 43 0A 78 39,-1.0 39,-2.6 -2,-0.6 2,-0.7 -0.678 16.9-164.7 -82.7 101.2 101.2 -11.8 2.5 5 5 A I E -A 42 0A 46 -2,-1.0 2,-0.3 37,-0.2 37,-0.2 -0.790 10.8-173.5 -90.2 113.4 102.0 -8.3 3.4 6 6 A I E -A 41 0A 63 35,-3.2 35,-3.5 -2,-0.7 2,-0.5 -0.760 22.5-126.9-106.6 153.3 105.7 -7.6 3.0 7 7 A R E -A 40 0A 146 -2,-0.3 2,-1.5 33,-0.2 3,-0.3 -0.883 22.1-129.5-100.9 126.5 107.7 -4.6 3.9 8 8 A L + 0 0 14 31,-2.8 31,-0.4 -2,-0.5 3,-0.1 -0.602 49.2 147.4 -80.9 91.5 109.7 -3.1 1.0 9 9 A E S S+ 0 0 122 -2,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.671 73.1 28.7 -93.1 -24.0 113.2 -2.8 2.6 10 10 A K S S- 0 0 185 -3,-0.3 2,-0.6 22,-0.1 -1,-0.3 -0.998 72.2-148.5-140.1 139.5 114.9 -3.5 -0.7 11 11 A F - 0 0 40 -2,-0.3 2,-0.1 20,-0.2 -3,-0.0 -0.936 10.2-165.6-115.4 116.0 113.7 -2.8 -4.2 12 12 A S > - 0 0 43 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.434 37.1-110.7 -84.9 171.1 114.8 -5.1 -7.1 13 13 A D H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.751 122.1 57.1 -74.2 -21.3 114.3 -4.0 -10.7 14 14 A Q H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 109.9 41.7 -69.8 -49.3 111.6 -6.7 -10.9 15 15 A D H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 110.2 61.7 -61.3 -38.8 109.8 -5.1 -8.0 16 16 A R H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.900 105.6 44.8 -53.8 -47.0 110.5 -1.7 -9.7 17 17 A I H X S+ 0 0 111 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.936 113.4 47.8 -66.6 -48.3 108.6 -2.7 -12.8 18 18 A D H X S+ 0 0 68 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.839 109.7 54.5 -65.4 -32.3 105.5 -4.2 -11.0 19 19 A L H >X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 3,-0.6 0.918 108.2 48.3 -64.9 -42.5 105.4 -1.1 -8.8 20 20 A Q H 3< S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.3 59.1 -69.0 -20.7 105.3 1.1 -11.9 21 21 A K H 3< S+ 0 0 170 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.752 108.4 44.4 -77.0 -26.5 102.6 -1.2 -13.1 22 22 A I H << S+ 0 0 22 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.827 123.6 36.2 -82.6 -37.4 100.6 -0.3 -10.0 23 23 A W >< + 0 0 27 -4,-2.3 3,-1.1 1,-0.1 -1,-0.3 -0.772 66.2 168.9-117.9 85.9 101.4 3.4 -10.4 24 24 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.588 80.2 52.4 -74.4 -9.7 101.4 4.2 -14.2 25 25 A E T 3 S+ 0 0 182 -3,-0.1 2,-0.7 2,-0.1 -5,-0.1 0.464 91.1 92.5-101.1 -5.2 101.5 7.9 -13.5 26 26 A Y S < S- 0 0 95 -3,-1.1 -3,-0.1 -6,-0.2 -4,-0.0 -0.815 71.3-140.2 -99.7 116.3 104.4 7.7 -11.2 27 27 A S - 0 0 97 -2,-0.7 2,-0.3 1,-0.1 -2,-0.1 -0.594 40.1 -94.6 -72.5 130.1 107.9 8.2 -12.7 28 28 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.260 51.8-176.1 -53.1 104.6 110.4 5.7 -11.1 29 29 A S - 0 0 53 -2,-0.3 -3,-0.0 1,-0.0 0, 0.0 0.021 49.1 -77.0 -81.5-161.7 112.1 7.6 -8.3 30 30 A S - 0 0 94 2,-0.1 -1,-0.0 -2,-0.0 0, 0.0 0.786 54.8-137.8 -70.4 -26.2 114.9 6.2 -6.1 31 31 A L + 0 0 30 1,-0.2 2,-0.5 -21,-0.0 -20,-0.2 0.992 39.3 169.0 58.1 78.7 112.4 4.1 -4.2 32 32 A Q - 0 0 169 -22,-0.1 2,-0.2 0, 0.0 -1,-0.2 -0.954 14.3-173.6-134.0 111.3 113.9 4.8 -0.8 33 33 A V - 0 0 43 -2,-0.5 2,-0.2 -24,-0.2 5,-0.2 -0.650 3.6-173.4-103.6 159.1 112.3 4.0 2.5 34 34 A D - 0 0 71 3,-1.5 -1,-0.0 -2,-0.2 0, 0.0 -0.635 50.8 -81.4-130.7-166.4 113.3 4.8 6.1 35 35 A D S S+ 0 0 124 -2,-0.2 3,-0.1 1,-0.1 21,-0.1 0.651 131.9 38.1 -79.1 -11.6 111.9 3.7 9.4 36 36 A N S S+ 0 0 56 1,-0.2 20,-3.1 19,-0.1 2,-1.2 0.854 109.5 58.5 -96.2 -59.8 109.2 6.3 9.1 37 37 A H E S+ B 0 55A 98 18,-0.3 -3,-1.5 19,-0.1 2,-0.6 -0.608 76.0 176.3 -74.3 97.5 108.4 6.2 5.4 38 38 A R E - B 0 54A 67 16,-2.7 16,-2.5 -2,-1.2 2,-0.6 -0.920 17.9-162.0-115.8 115.4 107.4 2.6 5.2 39 39 A I E - B 0 53A 25 -2,-0.6 -31,-2.8 -31,-0.4 2,-0.4 -0.855 10.6-163.9 -98.6 118.8 106.1 1.1 1.9 40 40 A Y E -AB 7 52A 26 12,-2.4 12,-2.2 -2,-0.6 2,-0.5 -0.833 4.1-155.0-106.3 142.7 104.2 -2.2 2.4 41 41 A A E -AB 6 51A 1 -35,-3.5 -35,-3.2 -2,-0.4 2,-1.0 -0.959 5.4-151.8-123.6 117.7 103.4 -4.5 -0.5 42 42 A A E -AB 5 50A 0 8,-2.6 7,-3.0 -2,-0.5 8,-1.8 -0.758 19.2-176.1 -91.7 99.8 100.5 -6.9 -0.3 43 43 A R E -AB 4 48A 67 -39,-2.6 -39,-1.0 -2,-1.0 2,-0.8 -0.873 9.7-164.7-104.2 111.0 101.5 -9.9 -2.4 44 44 A F E > S- B 0 47A 68 3,-1.8 3,-0.8 -2,-0.7 -41,-0.1 -0.857 80.3 -12.6 -97.5 107.8 98.8 -12.5 -2.9 45 45 A N T 3 S- 0 0 129 -2,-0.8 2,-1.3 -43,-0.3 -1,-0.3 0.997 130.5 -50.9 60.5 65.3 100.5 -15.7 -4.2 46 46 A E T 3 S+ 0 0 175 -3,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.035 120.8 97.9 72.6 -29.9 103.8 -14.1 -5.1 47 47 A R E < S-B 44 0A 149 -2,-1.3 -3,-1.8 -3,-0.8 2,-0.4 -0.667 82.8-105.0-101.6 145.6 102.2 -11.3 -7.1 48 48 A L E +B 43 0A 16 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.503 43.0 162.1 -65.2 117.8 101.4 -7.7 -6.0 49 49 A L E + 0 0 29 -7,-3.0 20,-2.9 -2,-0.4 2,-0.3 0.653 69.2 9.2-106.9 -27.1 97.7 -7.4 -5.4 50 50 A A E -BC 42 68A 0 -8,-1.8 -8,-2.6 18,-0.3 -1,-0.4 -0.992 59.8-163.1-152.8 149.2 97.8 -4.2 -3.4 51 51 A A E +BC 41 67A 1 16,-2.3 16,-2.8 -2,-0.3 2,-0.3 -0.999 11.1 176.4-138.3 135.5 100.3 -1.5 -2.5 52 52 A V E -BC 40 66A 6 -12,-2.2 -12,-2.4 -2,-0.4 2,-0.5 -0.996 17.2-151.2-140.6 141.0 100.2 1.1 0.3 53 53 A R E +B 39 0A 70 12,-2.3 11,-2.1 -2,-0.3 12,-0.5 -0.963 16.3 180.0-114.5 123.5 102.6 3.7 1.6 54 54 A V E -BC 38 63A 2 -16,-2.5 -16,-2.7 -2,-0.5 2,-0.9 -0.983 16.8-154.1-125.2 124.4 102.4 4.7 5.3 55 55 A T E -BC 37 62A 27 7,-3.3 7,-2.3 -2,-0.5 2,-1.7 -0.829 6.7-167.9 -97.9 99.5 104.7 7.4 6.8 56 56 A L E - C 0 61A 11 -20,-3.1 2,-1.1 -2,-0.9 5,-0.2 -0.562 8.6-173.0 -85.9 70.4 105.0 6.6 10.5 57 57 A S E > - C 0 60A 55 -2,-1.7 3,-1.6 3,-0.5 2,-0.6 -0.561 66.2 -47.5 -67.3 99.1 106.6 9.9 11.4 58 58 A G T 3 S- 0 0 58 -2,-1.1 34,-0.1 1,-0.2 -2,-0.0 -0.629 122.2 -25.6 74.2-116.4 107.4 9.1 15.1 59 59 A T T 3 S+ 0 0 92 -2,-0.6 35,-0.5 32,-0.1 2,-0.4 0.152 117.4 103.2-114.1 14.7 104.3 7.6 16.6 60 60 A E E < -C 57 0A 130 -3,-1.6 2,-0.8 32,-0.1 -3,-0.5 -0.832 64.2-142.9-101.3 134.6 102.0 9.3 14.1 61 61 A G E -Cd 56 95A 2 33,-2.2 35,-3.3 -2,-0.4 2,-0.7 -0.846 16.3-176.0-106.1 106.0 100.5 7.3 11.2 62 62 A A E -Cd 55 96A 38 -7,-2.3 -7,-3.3 -2,-0.8 2,-0.6 -0.873 6.9-164.5-101.6 108.4 100.3 9.1 7.9 63 63 A L E +Cd 54 97A 6 33,-3.3 35,-3.1 -2,-0.7 -9,-0.2 -0.833 17.4 164.6 -93.9 119.9 98.6 7.0 5.2 64 64 A D E + 0 0 64 -11,-2.1 2,-0.4 -2,-0.6 -1,-0.2 0.880 53.0 9.6 -99.3 -75.3 99.1 8.5 1.8 65 65 A S E + 0 0 24 -12,-0.5 -12,-2.3 2,-0.0 2,-0.4 -0.896 51.1 179.2-121.9 141.9 98.4 6.2 -1.1 66 66 A L E +C 52 0A 31 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.966 3.6 177.1-140.9 120.0 96.7 2.8 -1.5 67 67 A R E -C 51 0A 87 -16,-2.8 -16,-2.3 -2,-0.4 2,-0.3 -0.956 4.3-176.6-128.4 114.7 96.1 0.9 -4.7 68 68 A V E -C 50 0A 32 -2,-0.5 -18,-0.3 -18,-0.3 -19,-0.1 -0.773 50.1 -81.0 -95.3 151.7 94.6 -2.5 -4.9 69 69 A R > - 0 0 112 -20,-2.9 3,-2.0 -2,-0.3 -1,-0.1 -0.255 42.5-117.0 -54.1 140.3 94.4 -4.2 -8.3 70 70 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.804 114.0 55.4 -52.2 -38.3 91.4 -2.8 -10.3 71 71 A V T 3 S+ 0 0 122 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.762 92.3 76.0 -68.4 -23.0 89.7 -6.3 -10.4 72 72 A T < + 0 0 27 -3,-2.0 3,-0.3 1,-0.2 -1,-0.2 -0.460 50.6 134.4 -90.9 64.0 89.9 -6.5 -6.6 73 73 A R S S+ 0 0 208 -2,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.258 83.1 13.8 -94.7 12.6 87.0 -4.1 -6.0 74 74 A R S S+ 0 0 231 -3,-0.2 -1,-0.3 4,-0.0 -3,-0.0 -0.335 81.7 110.7 173.8 90.6 85.6 -6.5 -3.4 75 75 A R S S- 0 0 181 -3,-0.3 2,-0.8 -2,-0.1 -3,-0.0 0.149 82.7-107.2-156.5 17.6 87.6 -9.4 -2.0 76 76 A G S > S+ 0 0 42 1,-0.1 4,-3.2 4,-0.0 3,-0.3 -0.025 93.1 110.6 78.3 -34.5 88.3 -8.5 1.6 77 77 A V H > S+ 0 0 14 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.816 73.8 50.6 -39.7 -52.4 92.0 -7.8 0.7 78 78 A G H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 116.9 36.9 -56.9 -55.1 91.7 -4.0 1.2 79 79 A Q H > S+ 0 0 69 -3,-0.3 4,-3.1 1,-0.2 5,-0.3 0.894 115.2 56.2 -67.8 -39.6 90.1 -4.1 4.6 80 80 A Y H X S+ 0 0 70 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.923 109.7 46.8 -53.7 -47.8 92.2 -7.0 5.7 81 81 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.944 113.1 47.0 -62.2 -51.0 95.3 -5.1 4.8 82 82 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 115.8 45.2 -59.6 -46.6 94.2 -1.9 6.6 83 83 A E H X S+ 0 0 89 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.932 110.7 54.7 -61.4 -44.7 93.2 -3.9 9.7 84 84 A E H X S+ 0 0 43 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.894 108.1 49.2 -56.6 -43.8 96.4 -5.9 9.5 85 85 A V H X S+ 0 0 12 -4,-2.5 4,-1.1 1,-0.2 3,-0.4 0.938 113.2 45.9 -61.1 -46.8 98.4 -2.7 9.5 86 86 A L H < S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.688 112.6 52.2 -72.3 -18.4 96.5 -1.3 12.5 87 87 A R H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.700 114.2 41.0 -88.7 -22.1 96.8 -4.6 14.3 88 88 A N H < S+ 0 0 101 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.1 0.503 108.4 64.1-103.1 -7.3 100.6 -4.8 13.9 89 89 A N S < S+ 0 0 26 -4,-1.1 -1,-0.2 -5,-0.2 2,-0.1 -0.783 70.7 175.3-118.4 85.6 101.3 -1.2 14.6 90 90 A P + 0 0 109 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.417 58.5 35.8 -84.5 163.0 100.3 -0.5 18.2 91 91 A G S S+ 0 0 56 1,-0.2 2,-1.0 -2,-0.1 3,-0.1 -0.199 83.0 111.2 88.8 -45.9 100.8 2.7 20.1 92 92 A V + 0 0 13 -2,-0.8 -1,-0.2 1,-0.2 36,-0.1 -0.508 37.6 166.1 -61.9 99.1 100.1 4.8 17.0 93 93 A S + 0 0 64 -2,-1.0 35,-2.4 -34,-0.3 2,-0.9 0.731 55.6 69.5 -92.6 -25.5 96.8 6.2 18.1 94 94 A C E - E 0 127A 56 -35,-0.5 -33,-2.2 33,-0.2 2,-0.7 -0.811 60.3-179.4-102.4 98.8 96.5 8.9 15.4 95 95 A W E -dE 61 126A 5 31,-1.7 31,-2.7 -2,-0.9 2,-0.5 -0.884 5.8-174.7 -97.2 113.2 95.8 7.4 12.0 96 96 A W E -dE 62 125A 94 -35,-3.3 -33,-3.3 -2,-0.7 2,-0.5 -0.943 5.8-164.1-112.7 123.0 95.6 10.2 9.4 97 97 A M E -dE 63 124A 10 27,-3.6 27,-2.8 -2,-0.5 -33,-0.2 -0.927 11.5-142.4-111.4 123.4 94.7 9.3 5.9 98 98 A A - 0 0 31 -35,-3.1 25,-0.1 -2,-0.5 24,-0.0 -0.456 9.7-141.3 -81.2 153.7 95.3 11.8 3.1 99 99 A D > - 0 0 51 23,-0.3 3,-2.5 -2,-0.1 -1,-0.1 0.736 22.4-160.5 -84.6 -26.6 92.9 12.2 0.1 100 100 A A T 3 - 0 0 59 1,-0.3 3,-0.1 -35,-0.0 -2,-0.0 0.599 61.1 -74.5 59.1 14.4 95.8 12.6 -2.2 101 101 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.728 81.5 169.9 71.2 20.9 93.5 14.3 -4.7 102 102 A V < - 0 0 53 -3,-2.5 3,-0.4 1,-0.1 -1,-0.2 -0.456 28.1-161.7 -67.9 134.3 92.0 10.9 -5.6 103 103 A E S > S+ 0 0 170 1,-0.2 3,-0.6 -2,-0.2 -1,-0.1 0.633 90.8 64.3 -93.3 -17.2 88.9 11.1 -7.7 104 104 A D T 3> S+ 0 0 113 1,-0.2 4,-2.7 2,-0.1 3,-0.4 0.144 70.9 114.7 -83.9 19.5 87.8 7.6 -6.8 105 105 A R H 3> + 0 0 103 -3,-0.4 4,-3.5 1,-0.2 5,-0.2 0.775 63.9 63.3 -64.8 -27.0 87.6 9.1 -3.4 106 106 A G H <> S+ 0 0 60 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.949 110.2 38.1 -60.0 -48.2 83.8 8.5 -3.4 107 107 A V H > S+ 0 0 84 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.901 116.3 54.2 -65.8 -42.5 84.5 4.8 -3.6 108 108 A M H X S+ 0 0 44 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.928 107.9 47.9 -59.2 -48.4 87.4 5.1 -1.2 109 109 A T H X S+ 0 0 25 -4,-3.5 4,-3.4 2,-0.2 5,-0.3 0.866 108.4 55.3 -63.4 -35.5 85.3 6.9 1.4 110 110 A A H X S+ 0 0 52 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.918 111.3 44.9 -61.0 -42.9 82.6 4.2 1.1 111 111 A F H X S+ 0 0 45 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.910 114.2 50.4 -62.1 -44.3 85.4 1.7 1.8 112 112 A M H X>S+ 0 0 1 -4,-2.8 4,-3.3 1,-0.2 5,-2.3 0.923 110.8 46.9 -62.4 -48.1 86.6 3.9 4.7 113 113 A Q H <5S+ 0 0 131 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.5 48.2 -64.9 -38.7 83.2 4.3 6.3 114 114 A A H <5S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.724 116.7 44.1 -75.8 -21.9 82.4 0.6 6.1 115 115 A L H <5S- 0 0 37 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.880 128.1 -88.8 -87.6 -45.7 85.8 -0.3 7.5 116 116 A G T <5S+ 0 0 31 -4,-3.3 2,-0.3 1,-0.2 -3,-0.2 0.583 77.2 127.7 138.0 44.5 85.8 2.3 10.3 117 117 A F < - 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