==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 02-NOV-12 3W0P . COMPND 2 MOLECULE: HYGROMYCIN-B 4-O-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.IINO,Y.TAKAKURA,K.FUKANO,Y.SASAKI,T.HOSHINO,K.OHSAWA,A.NAK . 295 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 16.9 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 . 5 1.7 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 1 0 0 1 0 0 3 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 1 1 2 1 0 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 . 1 2 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 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 9 A T >> 0 0 161 0, 0.0 2,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -54.3 11.1 -18.5 22.0 2 10 A S T 34 + 0 0 33 1,-0.2 4,-0.5 2,-0.1 5,-0.0 -0.137 360.0 110.8 -76.7 41.0 9.8 -15.0 22.3 3 11 A V T 3> S+ 0 0 16 -2,-1.1 4,-0.6 3,-0.1 -1,-0.2 0.908 87.4 23.7 -81.7 -47.7 10.5 -14.8 18.5 4 12 A E H <> S+ 0 0 90 -3,-0.8 4,-0.8 2,-0.2 -2,-0.1 0.745 129.4 47.2 -88.3 -27.4 6.8 -14.6 17.3 5 13 A K H X S+ 0 0 151 -4,-0.5 4,-0.7 2,-0.2 -2,-0.1 0.832 107.1 56.1 -81.8 -35.5 5.5 -13.3 20.6 6 14 A F H > S+ 0 0 43 -4,-0.5 4,-0.6 1,-0.2 3,-0.5 0.839 107.8 49.5 -65.2 -33.7 8.2 -10.6 21.0 7 15 A L H >X S+ 0 0 0 -4,-0.6 4,-2.8 1,-0.2 3,-0.7 0.812 96.2 70.2 -74.8 -31.4 7.2 -9.2 17.6 8 16 A I H 3< S+ 0 0 60 -4,-0.8 4,-0.4 1,-0.3 -1,-0.2 0.789 101.8 46.9 -56.1 -28.2 3.6 -9.1 18.5 9 17 A E H 3< S+ 0 0 178 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.721 111.6 50.8 -85.7 -24.1 4.4 -6.3 20.8 10 18 A K H << S+ 0 0 98 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.906 134.9 9.4 -79.1 -45.3 6.5 -4.5 18.2 11 19 A F S < S- 0 0 45 -4,-2.8 -3,-0.2 22,-0.0 -2,-0.2 0.248 96.5-123.3-117.5 8.1 3.9 -4.5 15.5 12 20 A G S S+ 0 0 52 -5,-0.5 2,-0.3 -4,-0.4 -4,-0.2 0.322 92.6 18.2 66.8 -12.0 1.0 -5.8 17.6 13 21 A S - 0 0 76 -6,-0.4 2,-0.3 2,-0.0 -8,-0.0 -0.882 68.1-164.7-179.2 150.5 0.8 -8.6 15.0 14 22 A V - 0 0 13 -2,-0.3 3,-0.4 19,-0.1 2,-0.3 -0.971 12.5-143.8-152.6 133.6 3.0 -10.1 12.4 15 23 A S + 0 0 83 17,-2.2 16,-0.1 -2,-0.3 3,-0.0 -0.942 69.4 9.7-162.3 137.7 2.4 -12.5 9.4 16 24 A D - 0 0 83 -2,-0.3 2,-0.3 14,-0.1 -1,-0.3 0.335 68.6-172.7-104.8 132.1 3.6 -14.6 8.1 17 25 A L + 0 0 46 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.587 11.2 170.7 -78.2 132.1 6.5 -15.4 10.4 18 26 A M E -A 30 0A 83 12,-2.3 12,-2.4 -2,-0.3 2,-0.3 -0.959 32.1-130.8-144.4 122.2 9.0 -18.0 9.0 19 27 A Q E -A 29 0A 86 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.589 22.7-176.9 -69.5 132.0 12.4 -18.9 10.3 20 28 A L E - 0 0 104 8,-2.8 2,-0.3 -2,-0.3 9,-0.2 0.787 59.8 -0.1 -99.5 -36.7 14.8 -18.8 7.5 21 29 A S E -A 28 0A 55 7,-1.6 7,-0.8 2,-0.0 2,-0.4 -0.948 54.6-142.7-151.0 167.5 18.0 -20.1 9.2 22 30 A E E +A 27 0A 132 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 20.3 160.4-140.5 130.3 19.6 -21.3 12.4 23 31 A G E > -A 26 0A 27 3,-2.5 3,-1.1 -2,-0.4 2,-0.5 -0.950 51.4-101.5-133.1 153.7 23.0 -20.8 13.9 24 32 A E T 3 S+ 0 0 194 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.728 117.6 9.2 -72.3 124.3 23.9 -21.3 17.6 25 33 A E T 3 S+ 0 0 142 -2,-0.5 19,-1.9 18,-0.1 20,-0.3 0.403 129.8 62.2 79.4 -0.2 23.9 -17.6 18.7 26 34 A S E < +AB 23 43A 47 -3,-1.1 -3,-2.5 17,-0.2 2,-0.3 -0.984 52.8 163.2-151.9 149.3 22.4 -16.3 15.4 27 35 A R E -AB 22 42A 91 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.978 19.3-146.6-160.2 149.7 19.1 -16.7 13.5 28 36 A A E -AB 21 41A 16 -7,-0.8 -8,-2.8 -2,-0.3 -7,-1.6 -0.958 14.2-177.2-126.6 143.8 17.1 -15.0 10.7 29 37 A F E -AB 19 40A 8 11,-2.6 11,-3.0 -2,-0.4 2,-0.4 -0.960 17.7-143.7-133.6 151.4 13.4 -14.7 10.2 30 38 A S E +AB 18 39A 3 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.3 -0.892 30.8 159.5-104.9 146.1 11.1 -13.2 7.5 31 39 A F E - B 0 38A 0 7,-1.8 7,-3.0 -2,-0.4 2,-0.4 -0.963 28.4-134.1-159.5 159.8 7.8 -11.6 8.6 32 40 A D E + B 0 37A 45 -2,-0.3 -17,-2.2 5,-0.2 2,-0.3 -0.928 21.7 170.5-116.1 145.0 5.3 -9.1 7.2 33 41 A V E > + B 0 36A 33 3,-2.2 3,-2.6 -2,-0.4 -19,-0.1 -0.974 69.4 6.0-146.9 149.2 3.7 -6.1 8.9 34 42 A G T 3 S- 0 0 78 -2,-0.3 3,-0.1 1,-0.3 -20,-0.0 0.720 129.6 -61.3 54.5 24.2 1.5 -3.3 7.5 35 43 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.633 116.2 108.9 78.5 13.0 1.5 -5.1 4.2 36 44 A R E < -B 33 0A 138 -3,-2.6 -3,-2.2 49,-0.0 2,-0.3 -0.879 66.1-118.9-121.7 155.2 5.4 -4.8 3.9 37 45 A G E +B 32 0A 19 -2,-0.3 49,-2.1 -5,-0.2 2,-0.3 -0.768 31.9 177.3-104.6 139.5 8.1 -7.5 4.2 38 46 A Y E -BC 31 85A 31 -7,-3.0 -7,-1.8 -2,-0.3 2,-0.4 -0.887 24.8-135.7-135.2 161.2 10.9 -7.6 6.7 39 47 A V E -BC 30 84A 28 45,-2.7 45,-2.2 -2,-0.3 2,-0.5 -0.980 14.9-162.3-115.7 132.1 13.9 -9.5 8.0 40 48 A L E -BC 29 83A 0 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.965 9.2-173.8-109.7 123.7 14.5 -10.1 11.7 41 49 A R E -BC 28 82A 52 41,-2.4 41,-2.1 -2,-0.5 2,-0.4 -0.945 6.8-164.9-114.2 145.3 18.0 -11.2 12.7 42 50 A V E +BC 27 81A 11 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.3 -0.999 19.0 161.2-128.8 126.9 19.0 -12.2 16.2 43 51 A N E -BC 26 80A 48 37,-2.5 37,-3.0 -2,-0.4 -17,-0.2 -0.987 46.2-132.9-145.8 146.7 22.7 -12.4 17.1 44 52 A S S S+ 0 0 43 -19,-1.9 2,-0.5 -2,-0.3 -18,-0.1 0.704 100.7 60.6 -71.7 -19.0 24.7 -12.4 20.3 45 53 A C - 0 0 60 -20,-0.3 3,-0.3 35,-0.1 4,-0.2 -0.955 62.1-172.9-117.1 122.5 26.9 -9.8 18.6 46 54 A A > + 0 0 18 -2,-0.5 4,-1.7 1,-0.2 3,-0.5 0.524 61.6 95.9 -89.0 -11.9 25.4 -6.5 17.5 47 55 A D H > S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.846 83.2 49.7 -57.3 -38.8 28.4 -5.0 15.7 48 56 A G H > S+ 0 0 12 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.865 106.5 55.5 -71.8 -35.8 27.3 -6.2 12.2 49 57 A F H > S+ 0 0 6 -3,-0.5 4,-2.0 -4,-0.2 -1,-0.2 0.918 107.2 50.0 -62.4 -41.6 23.8 -4.7 12.5 50 58 A Y H X S+ 0 0 85 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.840 110.9 49.4 -66.5 -35.0 25.3 -1.3 13.3 51 59 A K H X S+ 0 0 11 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.918 108.6 52.8 -69.6 -43.6 27.5 -1.5 10.3 52 60 A D H X S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.886 113.2 44.5 -53.6 -43.6 24.6 -2.5 8.1 53 61 A R H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 112.5 51.3 -70.1 -40.4 22.7 0.6 9.4 54 62 A Y H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.939 111.5 47.6 -59.9 -48.3 25.7 2.9 9.0 55 63 A V H X>S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.8 0.889 109.5 51.8 -63.9 -40.9 26.3 1.8 5.4 56 64 A Y H X5S+ 0 0 76 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.937 112.5 47.3 -58.8 -46.8 22.6 2.2 4.4 57 65 A R H <5S+ 0 0 164 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.787 124.9 27.6 -68.9 -29.5 22.6 5.7 5.8 58 66 A H H <5S+ 0 0 62 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.711 132.7 22.2-104.5 -25.5 25.9 6.8 4.1 59 67 A F H <5S+ 0 0 17 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.562 79.6 118.0-125.2 -14.0 26.3 4.8 1.0 60 68 A A << + 0 0 35 -4,-1.1 2,-0.3 -5,-0.8 3,-0.1 -0.322 35.5 142.2 -66.0 142.6 23.0 3.4 -0.3 61 69 A S - 0 0 65 3,-2.3 5,-0.1 1,-0.1 -2,-0.0 -0.933 67.0 -83.8-162.5 178.6 21.9 4.6 -3.8 62 70 A A S S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.909 132.3 44.8 -60.1 -42.6 20.3 3.5 -7.0 63 71 A A S S+ 0 0 58 1,-0.2 -1,-0.2 -3,-0.1 50,-0.2 0.730 121.5 39.6 -72.6 -26.0 23.7 2.1 -8.1 64 72 A L S S- 0 0 2 49,-0.1 -3,-2.3 -5,-0.1 2,-0.4 -0.800 80.5-162.5-129.3 85.0 24.4 0.5 -4.7 65 73 A P + 0 0 24 0, 0.0 141,-1.7 0, 0.0 -3,-0.1 -0.585 16.3 169.0 -76.8 122.5 21.1 -1.0 -3.4 66 74 A I - 0 0 17 -2,-0.4 141,-0.1 139,-0.2 139,-0.1 -1.000 37.0-110.1-134.7 127.6 21.2 -1.7 0.4 67 75 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 -0.344 36.4-109.2 -60.1 141.0 18.2 -2.7 2.5 68 76 A E - 0 0 61 -12,-0.1 17,-2.4 1,-0.0 2,-0.6 -0.496 24.0-139.3 -66.3 135.5 17.0 -0.1 5.0 69 77 A V E +D 84 0A 8 15,-0.2 15,-0.3 -2,-0.2 3,-0.1 -0.895 22.1 179.8 -99.3 118.7 17.6 -0.9 8.7 70 78 A L E + 0 0 65 13,-2.7 2,-0.3 -2,-0.6 14,-0.2 0.803 58.3 0.2 -92.2 -31.5 14.6 -0.0 10.7 71 79 A D E -D 83 0A 47 12,-1.4 12,-2.8 2,-0.0 2,-0.3 -0.984 46.2-172.0-162.1 140.8 15.5 -0.9 14.3 72 80 A I E +D 82 0A 17 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.988 34.8 122.2-132.4 135.1 18.3 -2.4 16.4 73 81 A G E -D 81 0A 22 8,-1.5 8,-2.8 -2,-0.3 2,-0.4 -0.925 59.7 -47.6-168.2-169.6 17.7 -3.3 20.1 74 82 A E E +D 80 0A 134 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.650 30.9 177.8 -79.8 129.4 17.8 -6.0 22.8 75 83 A F S S- 0 0 31 4,-2.8 2,-0.3 1,-0.5 5,-0.2 0.786 81.1 -20.6 -90.7 -43.3 16.1 -9.3 22.1 76 84 A S S S- 0 0 43 3,-2.2 -1,-0.5 5,-0.0 3,-0.1 -0.862 83.6 -82.2-145.5-179.0 17.3 -10.6 25.5 77 85 A E S S+ 0 0 192 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.741 133.8 29.7 -61.1 -21.4 20.0 -9.6 28.0 78 86 A S S S+ 0 0 87 1,-0.1 2,-0.4 -33,-0.0 -1,-0.2 0.542 115.0 66.3-112.5 -8.9 22.4 -11.6 25.9 79 87 A L - 0 0 45 -3,-0.1 -4,-2.8 -34,-0.0 -3,-2.2 -0.911 59.3-156.1-123.3 142.8 20.9 -11.3 22.3 80 88 A T E -CD 43 74A 25 -37,-3.0 -37,-2.5 -2,-0.4 2,-0.3 -0.865 10.5-151.6-113.0 148.7 20.5 -8.3 20.0 81 89 A Y E -CD 42 73A 23 -8,-2.8 -8,-1.5 -2,-0.3 2,-0.4 -0.856 6.8-164.8-120.4 157.6 18.0 -8.0 17.1 82 90 A C E -CD 41 72A 0 -41,-2.1 -41,-2.4 -2,-0.3 2,-0.5 -0.982 4.4-159.9-141.0 131.5 17.9 -6.1 13.9 83 91 A I E +CD 40 71A 3 -12,-2.8 -13,-2.7 -2,-0.4 -12,-1.4 -0.935 22.3 162.7-111.8 127.4 14.9 -5.4 11.6 84 92 A S E -CD 39 69A 12 -45,-2.2 -45,-2.7 -2,-0.5 -15,-0.2 -0.913 43.3 -86.3-136.1 165.4 15.5 -4.5 8.0 85 93 A R E -C 38 0A 54 -17,-2.4 2,-0.5 -2,-0.3 -47,-0.3 -0.527 43.4-121.8 -74.9 138.0 13.5 -4.4 4.8 86 94 A R - 0 0 83 -49,-2.1 2,-0.3 -2,-0.2 -49,-0.2 -0.666 25.7-150.1 -82.7 123.8 13.3 -7.7 2.9 87 95 A A - 0 0 31 -2,-0.5 2,-0.1 1,-0.1 118,-0.1 -0.660 13.8-117.5 -89.5 155.1 14.6 -7.5 -0.7 88 96 A Q + 0 0 125 -2,-0.3 2,-0.2 116,-0.1 116,-0.2 -0.450 67.8 48.7 -79.1 154.7 13.4 -9.6 -3.6 89 97 A G S S- 0 0 30 -2,-0.1 2,-0.3 108,-0.1 110,-0.2 -0.539 75.6 -84.1 115.6-176.7 15.6 -12.1 -5.4 90 98 A V E -E 198 0B 71 108,-1.9 108,-2.8 -2,-0.2 -2,-0.0 -0.841 47.1 -94.6-125.5 159.0 18.0 -14.9 -4.8 91 99 A T E >> -E 197 0B 21 -2,-0.3 4,-2.1 106,-0.2 3,-1.1 -0.303 35.8-108.6 -73.7 163.4 21.8 -14.7 -3.9 92 100 A L T 34 S+ 0 0 2 104,-1.8 102,-0.2 101,-1.4 -1,-0.1 0.772 120.3 53.3 -60.9 -25.9 24.4 -15.0 -6.6 93 101 A Q T 34 S+ 0 0 87 100,-0.6 -1,-0.2 103,-0.2 139,-0.1 0.637 110.6 47.0 -86.2 -10.3 25.4 -18.5 -5.4 94 102 A D T <4 S+ 0 0 105 -3,-1.1 -2,-0.2 99,-0.2 -1,-0.1 0.757 87.3 100.0 -98.1 -29.8 21.8 -19.7 -5.6 95 103 A L S < S- 0 0 22 -4,-2.1 5,-0.1 1,-0.1 138,-0.1 -0.233 93.5 -91.3 -48.5 137.7 21.0 -18.4 -9.1 96 104 A P > - 0 0 65 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.391 34.2-125.5 -57.3 137.8 21.2 -21.1 -11.7 97 105 A E G > S+ 0 0 122 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.784 108.9 61.7 -56.3 -33.9 24.8 -21.1 -13.1 98 106 A T G 3 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.667 103.1 50.4 -70.4 -17.2 23.4 -20.7 -16.6 99 107 A E G < S+ 0 0 109 -3,-2.3 4,-0.4 1,-0.1 -1,-0.2 0.489 87.7 84.5 -97.7 -5.0 21.8 -17.4 -15.7 100 108 A L S X> S+ 0 0 4 -3,-1.0 3,-2.2 -4,-0.5 4,-0.8 0.922 78.9 63.8 -62.9 -46.5 25.0 -15.8 -14.1 101 109 A P G >4 S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.882 98.2 55.9 -46.9 -43.7 26.5 -14.6 -17.4 102 110 A A G 34 S+ 0 0 84 1,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.670 113.2 41.3 -66.2 -17.5 23.6 -12.1 -17.9 103 111 A V G <> S+ 0 0 4 -3,-2.2 4,-2.3 -4,-0.4 -1,-0.3 0.431 85.5 96.0-108.7 3.2 24.2 -10.5 -14.5 104 112 A L H S+ 0 0 90 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.908 111.6 51.9 -70.7 -42.5 28.1 -6.8 -15.8 106 114 A P H > S+ 0 0 14 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.868 112.4 47.3 -51.8 -42.6 25.4 -5.7 -13.3 107 115 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.934 111.0 50.5 -64.4 -47.8 27.5 -7.3 -10.5 108 116 A A H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.865 109.6 52.4 -59.7 -36.0 30.7 -5.6 -11.8 109 117 A E H X S+ 0 0 96 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.857 108.9 48.3 -71.2 -37.0 28.8 -2.3 -11.8 110 118 A V H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.909 110.8 51.3 -65.0 -42.6 27.7 -2.7 -8.2 111 119 A M H X S+ 0 0 29 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.926 110.5 49.4 -61.6 -38.7 31.3 -3.5 -7.2 112 120 A D H X S+ 0 0 110 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 108.9 52.7 -63.4 -43.3 32.4 -0.3 -9.1 113 121 A A H X S+ 0 0 20 -4,-2.0 4,-0.7 -50,-0.2 -1,-0.2 0.862 107.9 51.6 -61.8 -37.7 29.7 1.7 -7.2 114 122 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 72,-0.5 0.985 111.5 45.7 -62.3 -55.2 31.0 0.3 -3.8 115 123 A A H 3< S+ 0 0 25 -4,-2.2 71,-0.3 1,-0.3 -2,-0.2 0.772 112.8 53.2 -55.9 -30.7 34.6 1.3 -4.7 116 124 A A H 3< S+ 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.539 77.3 124.7 -83.5 -10.8 33.3 4.8 -5.8 117 125 A A S << S- 0 0 19 -3,-1.6 2,-0.4 -4,-0.7 69,-0.4 -0.235 70.2-112.6 -53.9 138.4 31.4 5.6 -2.6 118 126 A D - 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0 0 39 -4,-1.3 4,-2.2 1,-0.1 3,-0.3 -0.988 61.1-140.2-136.8 140.2 31.7 -21.5 -6.2 232 240 A A H > S+ 0 0 37 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.870 105.2 57.8 -69.1 -36.7 30.6 -21.1 -9.8 233 241 A C H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.869 110.5 45.7 -60.1 -33.6 29.4 -17.5 -9.2 234 242 A M H > S+ 0 0 0 -3,-0.3 4,-2.2 -7,-0.2 -6,-0.3 0.891 111.5 49.5 -74.8 -48.1 33.0 -16.7 -8.1 235 243 A E H X S+ 0 0 41 -4,-2.2 4,-2.7 -7,-0.5 5,-0.2 0.936 112.6 49.3 -53.8 -47.7 34.8 -18.5 -11.0 236 244 A Q H X S+ 0 0 32 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 112.1 46.6 -63.9 -41.7 32.5 -16.6 -13.5 237 245 A Q H X S+ 0 0 10 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.870 112.4 51.9 -66.5 -35.0 33.2 -13.2 -11.8 238 246 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 109.4 48.6 -66.0 -43.9 36.9 -14.0 -11.8 239 247 A R H X S+ 0 0 155 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.912 111.0 50.8 -61.4 -43.0 36.9 -14.9 -15.5 240 248 A Y H X S+ 0 0 51 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.908 112.7 45.9 -62.4 -43.2 35.0 -11.7 -16.3 241 249 A F H X S+ 0 0 34 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.927 112.1 51.8 -62.1 -46.8 37.5 -9.6 -14.3 242 250 A E H < S+ 0 0 66 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.863 105.8 54.1 -56.9 -44.3 40.5 -11.4 -15.9 243 251 A R H < S+ 0 0 197 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.8 37.5 -57.9 -40.3 39.2 -10.8 -19.4 244 252 A R H < S+ 0 0 114 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.711 130.3 25.6 -88.6 -23.2 39.0 -7.0 -18.6 245 253 A H X + 0 0 68 -4,-2.3 4,-2.7 -5,-0.1 -1,-0.2 -0.550 61.2 164.4-141.8 71.3 42.2 -6.6 -16.5 246 254 A P H > S+ 0 0 85 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.839 80.7 48.9 -63.0 -32.3 44.7 -9.3 -17.4 247 255 A E H >4 S+ 0 0 120 2,-0.2 3,-0.5 1,-0.1 4,-0.3 0.937 113.6 43.5 -71.7 -50.3 47.5 -7.4 -15.6 248 256 A L H >4 S+ 0 0 48 1,-0.2 3,-1.8 2,-0.2 6,-0.3 0.949 111.7 56.1 -56.8 -48.1 45.6 -6.8 -12.3 249 257 A A H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 112.7 41.9 -57.9 -25.5 44.4 -10.3 -12.4 250 258 A G T << S+ 0 0 49 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.315 91.9 124.9-100.8 8.0 48.1 -11.6 -12.6 251 259 A S <> - 0 0 19 -3,-1.8 4,-2.0 -4,-0.3 5,-0.2 -0.306 67.5-130.7 -84.7 151.5 49.6 -9.3 -10.1 252 260 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.836 111.6 56.6 -53.9 -35.7 51.7 -9.9 -6.9 253 261 A R H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 105.1 49.0 -69.1 -43.5 49.3 -7.5 -5.1 254 262 A L H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.947 113.0 47.9 -60.0 -46.4 46.2 -9.5 -6.0 255 263 A R H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.864 109.5 53.0 -60.7 -39.2 47.9 -12.7 -4.8 256 264 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.922 110.1 47.6 -61.5 -44.2 49.0 -11.0 -1.6 257 265 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.877 110.1 52.9 -63.3 -39.7 45.3 -9.9 -0.9 258 266 A M H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.873 111.6 46.6 -61.8 -39.7 44.1 -13.5 -1.7 259 267 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.865 110.2 52.4 -67.7 -37.9 46.6 -14.8 0.9 260 268 A R H X S+ 0 0 3 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.916 115.9 40.8 -64.9 -42.4 45.6 -12.2 3.4 261 269 A I H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 115.7 50.5 -66.7 -46.0 42.0 -13.3 2.9 262 270 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.856 108.8 51.1 -65.0 -39.9 42.8 -17.0 2.8 263 271 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.852 109.5 49.7 -66.5 -36.6 44.9 -16.9 6.0 264 272 A D H X S+ 0 0 41 -4,-1.3 4,-2.9 -5,-0.2 5,-0.2 0.904 111.6 50.0 -66.3 -38.7 42.1 -15.2 7.9 265 273 A Q H X S+ 0 0 60 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 112.5 46.6 -62.8 -43.8 39.7 -17.9 6.6 266 274 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 114.0 48.4 -61.8 -51.0 42.1 -20.7 7.7 267 275 A Y H X S+ 0 0 18 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.944 114.1 44.9 -52.7 -55.1 42.6 -19.0 11.1 268 276 A Q H X S+ 0 0 76 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.892 112.1 51.9 -62.5 -41.9 38.9 -18.5 11.8 269 277 A S H X>S+ 0 0 5 -4,-2.3 5,-2.9 -5,-0.2 4,-0.6 0.912 112.5 46.5 -55.6 -46.6 38.0 -22.1 10.6 270 278 A L H ><5S+ 0 0 40 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.944 112.5 49.8 -66.5 -45.4 40.7 -23.5 13.0 271 279 A V H 3<5S+ 0 0 66 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.3 43.2 -51.5 -47.6 39.4 -21.3 15.9 272 280 A D H 3<5S- 0 0 91 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.499 113.1-120.9 -81.1 -4.3 35.7 -22.4 15.2 273 281 A G T <<5 + 0 0 60 -3,-0.9 2,-1.3 -4,-0.6 -3,-0.2 0.810 57.4 153.9 64.2 35.1 36.9 -26.0 14.8 274 282 A N >< - 0 0 71 -5,-2.9 4,-2.1 1,-0.2 -1,-0.2 -0.760 19.9-176.8 -93.1 91.5 35.6 -26.3 11.2 275 283 A F H > S+ 0 0 166 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.891 76.0 46.5 -63.8 -45.5 38.0 -29.0 10.1 276 284 A D H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 113.1 50.1 -63.4 -42.3 36.9 -29.3 6.4 277 285 A D H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 110.6 49.8 -60.9 -42.1 36.9 -25.5 6.0 278 286 A A H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 110.9 49.0 -64.6 -44.4 40.4 -25.2 7.5 279 287 A A H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 113.5 46.6 -62.0 -43.3 41.8 -27.9 5.2 280 288 A W H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 113.7 47.5 -63.9 -46.1 40.3 -26.4 2.1 281 289 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.897 113.0 50.2 -60.3 -42.5 41.5 -22.8 3.0 282 290 A Q H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.942 110.4 47.6 -61.9 -48.6 45.0 -24.2 3.8 283 291 A G H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.850 111.5 53.1 -62.7 -33.1 45.2 -26.1 0.4 284 292 A R H X S+ 0 0 38 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 109.2 46.8 -68.7 -45.3 44.0 -22.9 -1.3 285 293 A C H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.916 111.0 53.0 -57.8 -45.0 46.7 -20.7 0.3 286 294 A D H X S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.941 108.9 50.2 -55.9 -47.6 49.3 -23.4 -0.6 287 295 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.887 111.4 47.8 -59.9 -39.4 48.1 -23.3 -4.2 288 296 A I H X S+ 0 0 5 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.929 110.7 50.9 -67.9 -43.8 48.4 -19.5 -4.3 289 297 A V H >X S+ 0 0 23 -4,-2.9 3,-1.2 1,-0.2 4,-0.8 0.936 109.8 51.4 -58.5 -45.1 51.9 -19.6 -2.8 290 298 A R H >< S+ 0 0 169 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.912 100.9 61.3 -59.0 -45.1 53.0 -22.2 -5.4 291 299 A S H 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.699 111.6 41.0 -53.2 -20.7 51.7 -19.9 -8.3 292 300 A G H << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.558 87.7 109.5-109.3 -9.2 54.2 -17.3 -7.2 293 301 A A << + 0 0 79 -3,-1.1 -3,-0.0 -4,-0.8 -4,-0.0 -0.259 59.2 47.2 -70.2 155.9 57.4 -19.2 -6.3 294 302 A G 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.814 360.0 360.0 90.7 36.0 60.6 -19.1 -8.4 295 303 A T 0 0 176 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.0 0.765 360.0 360.0-111.5 360.0 61.2 -15.4 -9.1