==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-05 2D2G . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR C.JACKSON,H.K.KIM,P.D.CARR,J.W.LIU,D.L.OLLIS . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.3 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 3 0 0 3 2 1 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 33 A T 0 0 166 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.3 49.2 32.1 -25.1 2 34 A G + 0 0 63 1,-0.3 2,-0.1 0, 0.0 0, 0.0 -0.269 360.0 110.8 97.9 -49.4 46.2 34.3 -26.0 3 35 A D - 0 0 89 -2,-0.5 11,-2.4 10,-0.1 12,-0.4 -0.366 53.0-158.3 -59.4 138.5 43.4 32.3 -24.3 4 36 A L E -A 13 0A 90 9,-0.3 2,-0.4 10,-0.1 -1,-0.0 -0.934 13.9-162.9-125.2 147.3 41.9 34.1 -21.3 5 37 A I E -A 12 0A 9 7,-2.7 7,-2.1 -2,-0.3 2,-0.4 -0.975 24.7-120.6-124.9 142.2 39.9 33.0 -18.2 6 38 A N E +A 11 0A 48 -2,-0.4 2,-0.3 5,-0.2 88,-0.2 -0.677 33.5 176.5 -81.4 132.5 37.9 35.3 -15.9 7 39 A T E > -A 10 0A 3 3,-1.5 3,-1.8 -2,-0.4 125,-0.4 -0.781 48.4 -97.4-121.3 171.9 38.9 35.3 -12.2 8 40 A V T 3 S+ 0 0 5 84,-2.8 85,-0.1 1,-0.3 74,-0.1 0.639 127.9 49.4 -66.5 -15.3 37.6 37.4 -9.3 9 41 A R T 3 S- 0 0 110 1,-0.4 -1,-0.3 83,-0.3 84,-0.1 0.365 125.2 -97.3 -99.6 3.2 40.5 39.8 -9.8 10 42 A G E < -A 7 0A 23 -3,-1.8 -3,-1.5 122,-0.1 -1,-0.4 -0.688 69.4 -9.2 113.7-167.3 39.8 40.0 -13.5 11 43 A P E -A 6 0A 93 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.339 55.9-179.5 -69.8 140.2 41.2 38.4 -16.7 12 44 A I E -A 5 0A 14 -7,-2.1 -7,-2.7 -2,-0.1 2,-0.2 -0.979 35.7-101.0-132.9 150.6 44.2 36.1 -16.7 13 45 A P E > -A 4 0A 42 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.537 30.7-127.1 -64.2 137.7 46.0 34.2 -19.4 14 46 A V G > S+ 0 0 15 -11,-2.4 3,-1.8 1,-0.3 4,-0.5 0.856 109.6 62.9 -48.4 -41.2 45.0 30.5 -19.4 15 47 A S G 3 S+ 0 0 87 -12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.632 96.9 57.7 -66.7 -13.7 48.7 29.6 -19.3 16 48 A E G < S+ 0 0 105 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.488 81.7 84.8 -93.7 -3.5 49.0 31.4 -15.9 17 49 A A < + 0 0 2 -3,-1.8 47,-0.2 -4,-0.3 -2,-0.2 0.904 66.7 164.3 -61.2 -39.6 46.4 29.2 -14.2 18 50 A G + 0 0 9 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.1 -0.212 55.2 13.8 59.1-149.2 49.1 26.6 -13.5 19 51 A F S S- 0 0 27 43,-0.4 45,-2.7 303,-0.1 46,-1.8 -0.470 85.5-170.8 -61.7 113.9 48.3 23.9 -10.9 20 52 A T E -b 65 0B 2 298,-2.4 2,-0.6 -2,-0.4 246,-0.3 -0.942 27.2-150.8-124.8 128.5 44.6 24.3 -10.5 21 53 A L E -b 66 0B 0 44,-2.4 46,-2.6 -2,-0.4 246,-0.2 -0.881 16.7-163.8 -95.1 116.9 42.1 22.8 -8.1 22 54 A T E S+ 0 0 6 244,-0.8 2,-0.3 -2,-0.6 245,-0.1 0.482 71.1 40.4 -91.3 -4.5 38.8 22.6 -10.0 23 55 A H E S+ 0 0 3 243,-0.2 246,-2.2 45,-0.1 245,-0.6 -0.776 77.6 123.3-145.8 97.9 36.2 22.1 -7.2 24 56 A E E -b 68 0B 0 43,-2.1 45,-2.1 -2,-0.3 2,-0.3 -0.874 39.4-144.4-144.4 170.5 36.7 24.1 -4.0 25 57 A H - 0 0 14 245,-1.6 3,-0.2 -2,-0.3 247,-0.2 -0.994 15.3-160.4-140.6 136.4 34.9 26.6 -1.8 26 58 A I S S- 0 0 0 -2,-0.3 246,-2.6 1,-0.3 247,-0.8 0.917 95.4 -0.6 -69.9 -47.3 36.0 29.5 0.3 27 59 A C E -d 273 0C 10 245,-0.2 2,-0.8 244,-0.2 -1,-0.3 -0.972 62.1-149.0-147.0 126.0 32.7 29.2 2.2 28 60 A G E +d 274 0C 4 245,-2.6 247,-2.4 -2,-0.3 248,-1.2 -0.844 54.0 118.6 -93.1 106.1 29.8 26.7 1.8 29 61 A S - 0 0 1 45,-2.6 2,-0.3 -2,-0.8 46,-0.2 -0.372 58.8 -83.8-141.7-144.2 26.8 28.7 2.9 30 62 A S >> - 0 0 31 45,-0.2 3,-2.1 44,-0.2 4,-0.5 -0.967 52.7 -74.5-141.9 154.8 23.5 30.0 1.7 31 63 A A T 34 S- 0 0 44 -2,-0.3 42,-0.1 42,-0.3 46,-0.1 -0.222 117.0 -0.6 -50.9 129.9 22.3 33.1 -0.3 32 64 A G T 3> S+ 0 0 53 44,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.292 100.7 112.2 77.0 -9.1 22.4 36.2 1.9 33 65 A F H <> S+ 0 0 46 -3,-2.1 4,-2.7 1,-0.2 -2,-0.1 0.881 72.4 50.8 -70.4 -41.8 23.6 34.2 5.0 34 66 A L H < S+ 0 0 12 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.887 114.6 45.9 -63.4 -38.6 27.1 35.7 5.3 35 67 A R H 4 S+ 0 0 178 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.864 119.4 40.6 -66.6 -39.6 25.6 39.2 5.2 36 68 A A H < S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.792 132.4 16.3 -84.7 -30.3 22.8 38.4 7.7 37 69 A W >< + 0 0 140 -4,-2.7 3,-1.9 -5,-0.2 4,-0.3 -0.351 62.2 152.8-144.6 58.4 24.7 36.3 10.2 38 70 A P G > S+ 0 0 29 0, 0.0 3,-1.9 0, 0.0 9,-0.1 0.798 70.8 72.6 -65.0 -24.2 28.5 36.7 9.9 39 71 A E G > S+ 0 0 124 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.699 78.4 76.7 -61.8 -20.9 28.9 35.9 13.6 40 72 A F G < S+ 0 0 64 -3,-1.9 -1,-0.3 1,-0.3 3,-0.1 0.859 101.1 40.9 -53.0 -36.6 28.0 32.3 12.7 41 73 A F G < S- 0 0 29 -3,-1.9 2,-1.7 -4,-0.3 -1,-0.3 0.044 126.2-101.8 -96.9 22.4 31.6 32.2 11.4 42 74 A G S < S- 0 0 56 -3,-2.1 2,-0.3 4,-0.1 -1,-0.1 -0.555 90.5 -30.3 82.9 -69.9 33.0 34.1 14.4 43 75 A S > - 0 0 47 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.948 59.8-104.4-162.8 165.8 33.1 37.1 12.1 44 76 A R H > S+ 0 0 79 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.920 123.6 53.9 -57.9 -44.8 33.6 37.9 8.4 45 77 A K H > S+ 0 0 149 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.905 108.6 48.0 -55.7 -46.1 37.1 39.1 9.3 46 78 A A H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 112.3 49.3 -62.1 -45.2 37.9 35.7 11.0 47 79 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 112.5 46.9 -59.9 -49.0 36.5 33.8 8.0 48 80 A A H X S+ 0 0 4 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.922 112.0 50.8 -58.4 -46.0 38.6 35.8 5.6 49 81 A E H X S+ 0 0 95 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.0 48.3 -59.1 -47.5 41.8 35.4 7.7 50 82 A K H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.905 112.7 48.9 -57.0 -46.0 41.3 31.6 7.9 51 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.899 110.1 50.8 -62.4 -43.6 40.8 31.5 4.1 52 84 A V H X S+ 0 0 16 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.937 111.4 47.8 -62.6 -44.8 43.9 33.6 3.5 53 85 A R H X S+ 0 0 149 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.939 114.3 48.0 -58.5 -47.5 46.0 31.3 5.7 54 86 A G H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 112.8 46.2 -60.6 -46.0 44.5 28.2 4.0 55 87 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.861 110.8 53.1 -67.8 -36.3 45.1 29.5 0.4 56 88 A R H X S+ 0 0 137 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.887 108.6 50.8 -64.7 -37.8 48.7 30.6 1.3 57 89 A H H X S+ 0 0 79 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.929 111.6 47.4 -63.4 -45.6 49.4 27.1 2.5 58 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.2 0.920 111.8 51.3 -58.9 -42.9 48.0 25.7 -0.7 59 91 A R H ><5S+ 0 0 95 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.900 106.3 53.0 -62.3 -45.1 50.1 28.2 -2.7 60 92 A A H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.8 54.3 -58.5 -35.6 53.3 27.2 -0.8 61 93 A A T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.460 132.4 -93.5 -77.2 -2.9 52.4 23.6 -1.8 62 94 A G T < 5S+ 0 0 34 -3,-1.7 -43,-0.4 1,-0.3 2,-0.4 0.431 77.3 141.9 107.7 1.5 52.3 24.7 -5.5 63 95 A V < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.614 17.6 172.0 -75.2 126.6 48.6 25.5 -6.0 64 96 A Q + 0 0 82 -45,-2.7 27,-2.2 -2,-0.4 2,-0.3 0.701 61.8 21.7-106.9 -23.4 48.2 28.5 -8.3 65 97 A T E -bc 20 91B 0 -46,-1.8 -44,-2.4 25,-0.2 2,-0.4 -0.997 56.0-165.9-145.6 139.2 44.4 28.6 -8.9 66 98 A I E -bc 21 92B 0 25,-2.5 27,-2.2 -2,-0.3 2,-0.7 -0.955 18.2-138.9-119.8 151.0 41.3 27.3 -7.4 67 99 A V E - c 0 93B 0 -46,-2.6 -43,-2.1 -2,-0.4 2,-1.0 -0.950 15.4-153.5-103.1 111.3 37.8 27.1 -8.9 68 100 A D E -b 24 0B 1 25,-2.3 27,-0.4 -2,-0.7 -43,-0.2 -0.784 9.5-170.9 -86.0 105.5 35.3 28.2 -6.3 69 101 A V + 0 0 0 -45,-2.1 2,-0.4 -2,-1.0 -1,-0.1 0.115 35.6 135.6 -89.3 24.6 32.2 26.3 -7.4 70 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.599 39.2-160.1 -71.9 123.5 29.9 28.1 -4.9 71 103 A T > > - 0 0 0 -2,-0.4 5,-1.9 23,-0.1 3,-1.3 -0.371 39.6 -82.8 -87.2 176.0 26.7 29.1 -6.7 72 104 A F G > 5S+ 0 0 62 25,-0.7 3,-1.5 1,-0.2 26,-0.1 0.910 132.5 48.3 -38.3 -51.8 24.2 31.8 -5.7 73 105 A D G 3 5S+ 0 0 1 1,-0.3 -42,-0.3 24,-0.3 -1,-0.2 0.536 101.1 61.7 -84.1 -4.8 22.5 29.2 -3.4 74 106 A I G < 5S- 0 0 4 -3,-1.3 -45,-2.6 -44,-0.2 -1,-0.3 0.312 121.7-110.9 -87.9 4.5 25.8 28.1 -1.8 75 107 A G T < 5 - 0 0 12 -3,-1.5 -45,-0.2 -4,-0.2 -41,-0.2 0.764 44.1-166.3 68.9 26.3 25.9 31.8 -0.7 76 108 A R < - 0 0 14 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.153 5.7-163.0 -37.6 125.5 28.9 32.7 -3.0 77 109 A D > - 0 0 14 1,-0.1 4,-2.1 -50,-0.1 3,-0.4 -0.904 5.1-171.1-121.7 95.9 30.2 36.1 -1.8 78 110 A V H > S+ 0 0 0 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.817 83.9 56.5 -65.1 -30.0 32.3 37.3 -4.7 79 111 A R H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 107.5 49.9 -63.9 -40.2 33.7 40.3 -2.8 80 112 A L H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.937 110.7 49.7 -61.3 -46.6 35.0 37.8 -0.1 81 113 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.925 111.1 49.0 -58.4 -45.8 36.6 35.7 -2.9 82 114 A A H X S+ 0 0 24 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.909 111.5 49.7 -61.6 -43.2 38.2 38.8 -4.4 83 115 A E H X S+ 0 0 99 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.924 115.3 41.3 -61.6 -47.4 39.6 39.9 -1.0 84 116 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.863 112.5 55.1 -75.2 -32.2 41.1 36.5 -0.1 85 117 A S H X>S+ 0 0 0 -4,-2.6 5,-1.3 -5,-0.3 4,-1.1 0.921 111.3 45.7 -61.0 -46.3 42.4 36.0 -3.7 86 118 A R H <5S+ 0 0 177 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.921 114.7 46.3 -62.4 -49.2 44.3 39.3 -3.4 87 119 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 120.8 36.5 -65.5 -35.6 45.6 38.6 0.0 88 120 A A H <5S- 0 0 3 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.533 100.3-129.6 -95.6 -7.1 46.8 35.1 -0.6 89 121 A D T <5 + 0 0 76 -4,-1.1 2,-0.4 -3,-0.3 -3,-0.2 0.936 64.4 129.3 50.3 54.2 48.0 35.6 -4.2 90 122 A V < - 0 0 1 -5,-1.3 -25,-0.2 -6,-0.2 -1,-0.2 -0.996 61.2-118.4-133.0 129.7 46.0 32.6 -5.5 91 123 A H E -c 65 0B 39 -27,-2.2 -25,-2.5 -2,-0.4 2,-0.4 -0.428 26.9-161.3 -65.9 139.9 43.7 33.0 -8.5 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.8 -2,-0.1 2,-0.5 -0.984 6.2-157.6-127.6 122.2 40.0 32.2 -7.9 93 125 A V E -c 67 0B 1 -27,-2.2 -25,-2.3 -2,-0.4 2,-0.2 -0.846 19.2-144.4 -92.2 127.4 37.5 31.5 -10.7 94 126 A A - 0 0 0 -2,-0.5 40,-2.7 38,-0.4 41,-0.7 -0.532 11.3-135.5 -91.7 163.1 33.9 32.2 -9.6 95 127 A A E -e 135 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.805 14.2-167.2-117.5 153.0 30.9 30.2 -10.6 96 128 A T E +e 136 0D 0 39,-2.3 41,-3.0 -2,-0.3 2,-0.2 -0.484 49.1 77.3-111.3-166.5 27.3 30.7 -11.8 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.526 77.4 -80.6 100.7-169.4 24.6 28.0 -12.0 98 130 A L - 0 0 1 39,-1.0 41,-0.5 -2,-0.2 -2,-0.0 -0.997 29.0-158.6-140.8 138.8 22.5 26.5 -9.2 99 131 A W - 0 0 40 -2,-0.3 40,-0.3 39,-0.2 -27,-0.0 0.100 52.2 -72.7 -89.4-155.6 23.2 23.8 -6.6 100 132 A F S S+ 0 0 78 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.194 118.1 67.1-100.6 20.4 20.5 21.8 -4.8 101 133 A D + 0 0 84 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.155 63.3 159.8-125.1 43.2 19.2 24.5 -2.4 102 134 A P - 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0 0 5 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.577 49.7-117.6 -66.9 122.3 52.7 7.6 -12.4 310 342 A P >> - 0 0 59 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.276 14.6-120.7 -61.7 147.8 55.2 9.7 -14.5 311 343 A P H 3> S+ 0 0 81 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.861 113.7 56.8 -56.2 -39.9 55.7 13.4 -13.6 312 344 A E H 3> S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.840 107.0 49.1 -60.4 -36.5 54.6 14.4 -17.1 313 345 A T H <> S+ 0 0 27 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.910 110.9 49.1 -71.8 -40.4 51.3 12.6 -16.5 314 346 A L H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.884 111.4 49.5 -67.1 -38.8 50.7 14.2 -13.2 315 347 A A H X>S+ 0 0 50 -4,-2.7 4,-1.9 2,-0.2 5,-1.2 0.871 108.7 53.8 -65.2 -38.2 51.5 17.7 -14.7 316 348 A G H <>S+ 0 0 21 -4,-1.8 5,-2.7 3,-0.2 -2,-0.2 0.897 111.8 45.3 -62.5 -40.3 49.0 16.9 -17.5 317 349 A V H <5S+ 0 0 5 -4,-2.1 -51,-0.3 3,-0.2 -2,-0.2 0.909 121.8 34.7 -70.0 -42.4 46.3 16.1 -14.9 318 350 A T H <5S+ 0 0 9 -4,-2.1 -298,-2.4 -5,-0.1 -2,-0.2 0.597 136.0 16.4 -93.1 -15.3 46.8 19.1 -12.6 319 351 A V T X5S+ 0 0 54 -4,-1.9 4,-2.1 -300,-0.2 -3,-0.2 0.679 125.5 41.5-119.8 -59.3 47.8 21.7 -15.2 320 352 A A H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.897 113.3 53.3 -56.0 -41.1 42.2 22.3 -16.0 323 355 A A H X S+ 0 0 22 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.940 112.3 43.1 -57.6 -51.4 43.6 24.7 -18.7 324 356 A R H < S+ 0 0 100 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.2 0.882 116.7 49.1 -61.8 -39.9 41.8 22.9 -21.5 325 357 A F H < S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.940 115.4 40.7 -66.4 -49.6 38.6 22.7 -19.4 326 358 A L H < S+ 0 0 5 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.768 88.0 103.2 -76.0 -29.4 38.5 26.3 -18.3 327 359 A S S < S- 0 0 10 -4,-2.2 2,-0.1 -5,-0.3 -322,-0.1 -0.386 87.9-109.6 -55.1 120.0 39.5 27.9 -21.6 328 360 A P 0 0 61 0, 0.0 -164,-0.2 0, 0.0 -165,-0.2 -0.398 360.0 360.0 -59.2 126.9 36.3 29.2 -23.2 329 361 A T 0 0 118 -166,-2.0 -165,-0.2 -4,-0.1 -166,-0.1 0.562 360.0 360.0-137.9 360.0 35.6 26.8 -26.1