==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/DNA 14-AUG-09 2WQ7 . COMPND 2 MOLECULE: RE11660P; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR A.F.GLAS,E.KAYA,S.SCHNEIDER,M.J.MAUL,T.CARELL . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 0.2 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 . 25 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 2 1 4 1 2 0 0 4 2 1 1 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 2 A D > 0 0 108 0, 0.0 3,-1.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -5.8 26.7 -34.4 40.8 2 3 A S T 3 + 0 0 105 1,-0.2 0, 0.0 185,-0.0 0, 0.0 0.476 360.0 55.5 -75.3 -5.6 24.4 -36.4 42.9 3 4 A Q T 3 S+ 0 0 173 2,-0.1 -1,-0.2 34,-0.0 2,-0.1 0.283 79.3 126.8-108.8 6.1 25.9 -34.5 45.7 4 5 A R < - 0 0 16 -3,-1.0 33,-0.2 33,-0.1 2,-0.2 -0.394 50.1-140.7 -70.2 143.9 25.2 -30.9 44.5 5 6 A S E -a 37 0A 34 31,-1.5 33,-2.2 -2,-0.1 2,-0.4 -0.564 22.8-119.9 -91.6 162.6 23.5 -28.4 46.7 6 7 A T E -ab 38 101A 5 94,-2.6 96,-2.6 31,-0.2 97,-1.1 -0.922 13.5-156.3-115.7 137.6 20.9 -26.0 45.1 7 8 A L E -ab 39 103A 1 31,-2.7 33,-2.5 -2,-0.4 2,-0.4 -0.912 20.3-161.1-105.9 126.7 21.0 -22.2 45.0 8 9 A V E -ab 40 104A 1 95,-2.8 97,-2.6 -2,-0.5 2,-0.5 -0.928 16.8-167.2-119.3 133.2 17.6 -20.7 44.5 9 10 A H E -ab 41 105A 4 31,-1.6 33,-3.1 -2,-0.4 2,-0.7 -0.976 16.3-151.1-112.7 126.2 16.4 -17.3 43.4 10 11 A W E -ab 42 106A 7 95,-3.1 97,-0.5 -2,-0.5 2,-0.4 -0.860 6.3-156.4-103.1 110.7 12.8 -16.6 44.0 11 12 A F E +a 43 0A 1 31,-3.2 33,-0.6 -2,-0.7 3,-0.1 -0.675 37.6 136.3 -82.1 133.5 11.2 -14.2 41.5 12 13 A R S S- 0 0 28 1,-1.6 2,-0.2 -2,-0.4 -1,-0.2 0.322 85.9 -5.5-135.3 -69.0 8.1 -12.3 42.8 13 14 A K S S+ 0 0 29 94,-0.3 -1,-1.6 1,-0.1 254,-0.2 -0.278 114.0 71.6-103.7-162.2 8.6 -8.8 41.6 14 15 A G + 0 0 1 1,-0.2 2,-2.1 250,-0.2 253,-0.3 0.917 59.7 175.9 56.5 44.9 12.0 -8.1 39.9 15 16 A L + 0 0 2 251,-1.9 208,-0.4 248,-0.1 2,-0.3 -0.432 46.0 84.3 -83.7 66.6 11.0 -10.1 36.8 16 17 A R - 0 0 2 -2,-2.1 253,-0.1 -3,-0.2 252,-0.1 -0.979 69.6-138.5-157.1 160.1 14.2 -9.2 35.0 17 18 A L S > S+ 0 0 4 -2,-0.3 3,-0.5 251,-0.2 7,-0.1 0.805 81.0 83.2 -91.4 -36.3 17.8 -10.3 34.6 18 19 A H T 3 S+ 0 0 11 1,-0.2 157,-0.2 250,-0.2 158,-0.2 -0.331 102.2 3.9 -71.2 151.0 19.3 -6.7 34.5 19 20 A D T 3 S+ 0 0 0 155,-1.6 -1,-0.2 156,-0.4 253,-0.1 0.878 87.6 138.3 41.5 56.9 20.1 -4.9 37.8 20 21 A N <> + 0 0 1 155,-0.6 4,-3.1 -3,-0.5 5,-0.2 -0.762 27.1 178.2-132.7 84.3 19.1 -7.8 39.9 21 22 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.879 82.2 54.7 -57.7 -41.8 21.6 -8.2 42.8 22 23 A A H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 111,-0.1 0.919 115.4 39.1 -60.3 -44.4 19.7 -11.2 44.3 23 24 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.932 114.4 52.9 -68.2 -46.8 19.8 -13.1 41.0 24 25 A S H X S+ 0 0 15 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.898 103.5 58.7 -56.2 -39.9 23.4 -12.0 40.2 25 26 A H H X S+ 0 0 61 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.908 106.8 47.1 -58.8 -47.3 24.6 -13.2 43.6 26 27 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.927 114.4 46.0 -62.0 -45.6 23.3 -16.8 42.8 27 28 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.884 113.7 49.2 -64.3 -41.5 24.9 -16.9 39.4 28 29 A T H X S+ 0 0 90 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.921 111.4 49.2 -64.5 -44.2 28.2 -15.5 40.6 29 30 A A H X S+ 0 0 26 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.922 109.5 51.7 -64.3 -44.1 28.3 -18.0 43.5 30 31 A A H < S+ 0 0 3 -4,-2.5 3,-0.4 1,-0.2 6,-0.3 0.958 110.6 47.3 -56.6 -52.5 27.6 -21.0 41.1 31 32 A N H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.0 62.8 -62.2 -25.2 30.4 -20.0 38.8 32 33 A A H < S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.927 114.1 31.3 -64.9 -44.0 32.8 -19.5 41.7 33 34 A A S >X S- 0 0 25 -4,-1.6 3,-1.0 -3,-0.4 4,-0.7 -0.846 83.0-166.4-118.7 96.1 32.5 -23.2 42.7 34 35 A P T 34 S+ 0 0 62 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.770 78.9 27.7 -59.2 -44.5 32.0 -25.0 39.4 35 36 A G T 34 S+ 0 0 47 1,-0.1 -4,-0.1 148,-0.1 -5,-0.0 0.398 105.5 85.2 -99.2 9.0 30.9 -28.5 40.3 36 37 A R T <4 S+ 0 0 148 -3,-1.0 -31,-1.5 -6,-0.3 2,-0.3 0.850 84.0 29.4 -81.0 -39.0 29.3 -27.5 43.5 37 38 A Y E < -a 5 0A 28 -4,-0.7 2,-0.3 -7,-0.2 -31,-0.2 -0.838 50.7-141.9-129.5 161.1 25.8 -26.3 42.9 38 39 A F E -a 6 0A 10 -33,-2.2 -31,-2.7 -2,-0.3 2,-0.4 -0.864 28.3-138.6-110.0 148.7 22.7 -26.5 40.8 39 40 A V E -a 7 0A 5 -2,-0.3 -31,-0.2 -33,-0.2 -33,-0.0 -0.948 18.6-177.7-114.2 131.2 20.8 -23.2 40.1 40 41 A R E -a 8 0A 3 -33,-2.5 -31,-1.6 -2,-0.4 2,-0.6 -0.882 6.3-169.2-127.8 100.9 17.0 -22.9 40.2 41 42 A P E -a 9 0A 0 0, 0.0 41,-2.3 0, 0.0 2,-0.3 -0.817 27.7-172.4 -86.6 121.7 15.5 -19.5 39.4 42 43 A I E -ac 10 82A 0 -33,-3.1 -31,-3.2 -2,-0.6 2,-0.4 -0.864 32.2-166.6-125.7 153.7 11.8 -19.9 40.3 43 44 A F E -ac 11 83A 22 39,-2.2 41,-1.9 -2,-0.3 2,-0.6 -0.999 24.0-140.5-128.4 130.2 8.4 -18.2 40.2 44 45 A I E - c 0 84A 23 -33,-0.6 2,-0.6 -2,-0.4 41,-0.2 -0.845 16.2-167.6-101.5 120.7 5.7 -19.6 42.4 45 46 A L E - c 0 85A 12 39,-2.4 41,-1.4 -2,-0.6 42,-0.1 -0.905 13.2-150.7-113.7 106.6 2.2 -19.7 40.8 46 47 A D > - 0 0 42 -2,-0.6 3,-1.2 39,-0.2 4,-0.3 -0.649 9.4-158.6 -72.6 107.0 -0.8 -20.4 43.0 47 48 A P T 3 S+ 0 0 65 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.533 84.8 63.4 -72.6 -6.2 -3.2 -22.1 40.5 48 49 A G T > S+ 0 0 53 1,-0.2 3,-1.0 2,-0.1 4,-0.2 0.777 91.3 62.9 -83.9 -30.3 -6.3 -21.3 42.6 49 50 A I G X S+ 0 0 63 -3,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.538 73.0 95.7 -74.5 -5.4 -5.9 -17.5 42.3 50 51 A L G 3 S+ 0 0 11 1,-0.3 159,-0.5 -4,-0.3 -1,-0.2 0.636 90.4 43.8 -63.4 -9.8 -6.4 -17.7 38.5 51 52 A D G < S+ 0 0 92 -3,-1.0 -1,-0.3 157,-0.1 -2,-0.2 0.506 76.7 126.6-111.6 -13.3 -10.1 -16.9 39.2 52 53 A W X - 0 0 127 -3,-1.3 3,-1.6 -4,-0.2 -3,-0.0 -0.342 56.3-147.3 -44.1 112.2 -9.5 -14.1 41.8 53 54 A M T 3 S+ 0 0 125 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.598 88.6 79.6 -69.0 -11.8 -11.7 -11.4 40.2 54 55 A Q T 3 S+ 0 0 28 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.489 88.1 62.1 -73.4 -6.4 -9.2 -8.8 41.5 55 56 A V S < S- 0 0 17 -3,-1.6 337,-0.2 -6,-0.1 338,-0.1 -0.978 81.5-151.2-120.0 117.7 -6.9 -9.7 38.6 56 57 A G > - 0 0 5 336,-1.8 4,-1.7 -2,-0.5 3,-0.3 -0.322 28.3-102.8 -83.7 168.3 -8.4 -9.0 35.2 57 58 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 117.0 58.4 -62.7 -41.2 -7.5 -10.9 32.0 58 59 A N H > S+ 0 0 9 155,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.897 107.7 47.6 -57.9 -38.9 -5.3 -8.1 30.6 59 60 A R H > S+ 0 0 15 -3,-0.3 4,-2.2 333,-0.3 -1,-0.2 0.907 108.9 53.3 -73.2 -35.1 -3.1 -8.3 33.6 60 61 A W H X S+ 0 0 18 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.915 108.4 51.4 -58.7 -43.1 -2.9 -12.2 33.5 61 62 A R H X S+ 0 0 28 -4,-2.5 4,-2.6 1,-0.2 160,-0.2 0.882 107.3 52.5 -62.6 -38.7 -1.8 -11.9 29.9 62 63 A F H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.930 110.9 46.9 -63.1 -43.4 1.0 -9.5 30.8 63 64 A L H X S+ 0 0 17 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.936 111.0 52.6 -63.4 -41.7 2.2 -11.9 33.5 64 65 A Q H X S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.930 112.6 44.1 -60.0 -46.9 2.1 -14.8 31.0 65 66 A Q H X S+ 0 0 44 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.894 112.4 53.6 -63.9 -40.5 4.1 -12.8 28.5 66 67 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 157,-0.3 0.922 107.9 48.6 -62.8 -45.5 6.5 -11.7 31.2 67 68 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.907 111.0 51.6 -63.2 -39.7 7.3 -15.2 32.5 68 69 A E H X S+ 0 0 95 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.908 111.3 46.9 -63.4 -43.8 7.9 -16.4 28.9 69 70 A D H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.942 111.5 51.4 -61.3 -46.3 10.3 -13.6 28.3 70 71 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 109.8 49.4 -58.4 -42.3 12.1 -14.3 31.6 71 72 A D H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.950 110.1 52.4 -61.7 -46.3 12.4 -18.0 30.7 72 73 A N H X S+ 0 0 60 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.878 111.6 45.1 -54.3 -44.0 13.9 -16.9 27.3 73 74 A Q H X S+ 0 0 30 -4,-2.4 4,-0.5 2,-0.2 3,-0.2 0.886 112.0 51.1 -71.6 -38.3 16.5 -14.7 28.9 74 75 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 -5,-0.2 3,-1.5 0.886 101.9 62.1 -65.4 -36.9 17.4 -17.3 31.5 75 76 A R H ><5S+ 0 0 129 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.883 96.9 59.6 -55.0 -37.8 17.9 -19.9 28.7 76 77 A K H 3<5S+ 0 0 129 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.708 101.8 53.2 -64.8 -20.8 20.7 -17.6 27.3 77 78 A L T <<5S- 0 0 16 -3,-1.5 103,-2.7 -4,-0.5 -1,-0.3 0.178 127.3-100.0 -96.8 17.2 22.6 -18.0 30.6 78 79 A N T < 5S+ 0 0 82 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.771 97.7 91.7 67.0 28.9 22.4 -21.8 30.3 79 80 A S < - 0 0 18 -5,-2.0 2,-0.3 -8,-0.1 -1,-0.2 -0.379 57.8-154.1-126.7-159.8 19.5 -21.8 32.8 80 81 A R - 0 0 66 -2,-0.1 2,-0.4 -3,-0.1 -9,-0.1 -0.947 27.2 -92.4-169.3 170.7 15.7 -21.6 32.6 81 82 A L - 0 0 0 -2,-0.3 2,-0.6 -41,-0.1 -39,-0.2 -0.791 26.8-153.3 -96.3 141.6 12.8 -20.5 34.7 82 83 A F E -c 42 0A 7 -41,-2.3 -39,-2.2 -2,-0.4 2,-0.9 -0.959 5.0-163.3-112.6 112.7 11.0 -23.0 36.9 83 84 A V E -c 43 0A 0 116,-2.8 2,-0.6 -2,-0.6 -39,-0.2 -0.850 11.7-163.4 -97.3 103.3 7.4 -22.0 37.5 84 85 A V E -c 44 0A 0 -41,-1.9 -39,-2.4 -2,-0.9 2,-0.4 -0.773 10.3-139.7 -93.9 119.3 6.4 -24.0 40.5 85 86 A R E +c 45 0A 60 -2,-0.6 2,-0.3 113,-0.3 -39,-0.2 -0.675 60.2 52.5 -80.2 130.9 2.7 -24.3 41.1 86 87 A G S S- 0 0 18 -41,-1.4 -2,-0.0 -2,-0.4 -38,-0.0 -0.903 87.1 -56.5 147.1-167.1 1.5 -24.0 44.7 87 88 A K >> - 0 0 100 -2,-0.3 4,-3.1 1,-0.1 3,-1.6 -0.898 41.2-122.1-110.7 142.7 1.7 -21.9 47.8 88 89 A P H 3> S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.789 109.1 64.8 -50.4 -33.3 5.1 -20.9 49.4 89 90 A A H 34 S+ 0 0 76 1,-0.2 -3,-0.0 2,-0.2 28,-0.0 0.850 118.0 23.9 -61.4 -38.0 4.0 -22.5 52.7 90 91 A E H <> S+ 0 0 117 -3,-1.6 4,-1.4 2,-0.1 -1,-0.2 0.759 121.2 56.8 -95.6 -34.2 3.9 -25.9 51.1 91 92 A V H X S+ 0 0 2 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.923 104.1 50.9 -65.4 -45.7 6.3 -25.4 48.2 92 93 A F H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.917 107.1 51.4 -64.3 -44.9 9.3 -24.3 50.3 93 94 A P H > S+ 0 0 41 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.944 114.2 46.6 -56.0 -44.3 9.3 -27.2 52.8 94 95 A R H X S+ 0 0 68 -4,-1.4 4,-3.1 1,-0.2 3,-0.3 0.961 117.7 38.9 -61.5 -53.1 9.2 -29.6 49.9 95 96 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 6,-0.3 0.834 105.5 62.9 -77.3 -30.8 11.9 -28.1 47.7 96 97 A F H <>S+ 0 0 8 -4,-2.6 5,-1.6 -5,-0.2 -1,-0.2 0.909 118.1 33.8 -52.0 -39.5 14.3 -27.1 50.5 97 98 A K H ><5S+ 0 0 137 -4,-1.1 3,-0.7 -3,-0.3 -2,-0.2 0.942 120.5 46.6 -80.0 -56.2 14.4 -30.9 51.1 98 99 A S H 3<5S+ 0 0 44 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.869 123.1 33.9 -53.8 -44.3 14.1 -32.2 47.5 99 100 A W T 3<5S- 0 0 10 -4,-2.8 -1,-0.2 -5,-0.2 -61,-0.2 0.456 101.3-126.9 -97.4 -1.4 16.6 -29.8 46.0 100 101 A R T < 5 - 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0 0 192 -2,-0.2 -2,-0.1 1,-0.0 -1,-0.0 -0.657 20.5-136.3 -89.8 147.8 23.6 6.6 48.7 170 171 A V - 0 0 59 -2,-0.3 3,-0.1 -29,-0.1 -29,-0.1 -0.920 26.2-121.2-104.3 124.5 22.2 5.0 45.6 171 172 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.050 35.5 -85.6 -62.6 163.3 23.5 1.5 45.0 172 173 A K - 0 0 183 1,-0.1 2,-0.5 0, 0.0 100,-0.1 -0.465 40.1-125.4 -65.9 139.3 25.4 0.5 41.9 173 174 A V - 0 0 33 -2,-0.1 2,-0.2 99,-0.1 -1,-0.1 -0.800 30.9-144.7 -87.4 125.4 23.2 -0.6 39.0 174 175 A L - 0 0 66 -2,-0.5 -155,-1.6 1,-0.1 99,-0.0 -0.528 0.4-132.0 -92.8 159.2 24.2 -4.1 37.8 175 176 A G - 0 0 51 -157,-0.2 -155,-0.6 1,-0.2 -156,-0.4 -0.012 51.3 -60.0 -83.1-162.6 24.2 -5.6 34.4 176 177 A V - 0 0 73 -158,-0.2 -1,-0.2 1,-0.1 -158,-0.2 -0.562 66.0-100.4 -79.0 146.3 22.8 -9.0 33.4 177 178 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.075 43.9 -88.7 -62.4 171.9 24.4 -12.0 35.3 178 179 A E - 0 0 129 -154,-0.2 -147,-0.1 1,-0.1 3,-0.1 -0.495 44.1 -96.1 -81.2 150.6 27.1 -14.2 33.8 179 180 A K - 0 0 120 -2,-0.2 2,-0.3 1,-0.1 -101,-0.2 -0.342 46.8-107.4 -59.0 140.4 26.4 -17.4 31.8 180 181 A L - 0 0 1 -103,-2.7 2,-0.4 3,-0.1 3,-0.3 -0.586 33.2-146.0 -75.6 137.3 26.5 -20.5 33.9 181 182 A K S S- 0 0 122 -2,-0.3 -1,-0.0 1,-0.2 -104,-0.0 -0.843 70.8 -3.9-103.3 139.3 29.6 -22.6 33.3 182 183 A N S S+ 0 0 121 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.883 87.4 149.3 51.6 50.2 29.6 -26.4 33.5 183 184 A M - 0 0 35 -3,-0.3 -1,-0.2 -105,-0.0 2,-0.1 -0.859 28.6-166.2-123.4 95.4 26.0 -26.6 34.7 184 185 A P - 0 0 55 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.417 44.4 -82.9 -69.2 155.9 24.0 -29.7 33.7 185 186 A T - 0 0 125 1,-0.1 3,-0.1 -2,-0.1 -106,-0.0 -0.309 56.6 -99.9 -56.6 140.2 20.2 -29.5 34.1 186 187 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.267 44.9 -94.0 -57.0 151.2 19.3 -30.3 37.8 187 188 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.405 49.8 -97.0 -63.5 145.5 18.0 -33.8 38.4 188 189 A K - 0 0 116 -3,-0.1 2,-0.1 4,-0.1 8,-0.0 -0.428 35.5-142.6 -65.5 134.8 14.3 -34.2 38.3 189 190 A D > - 0 0 11 -2,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.255 39.8 -84.9 -82.0-177.2 12.5 -34.0 41.6 190 191 A E H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.861 130.5 51.1 -60.7 -36.7 9.5 -36.2 42.3 191 192 A V H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.938 111.5 46.4 -65.0 -48.7 7.1 -33.7 40.7 192 193 A E H 4 S+ 0 0 14 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.807 106.0 60.4 -62.4 -33.8 9.2 -33.5 37.5 193 194 A Q H < S+ 0 0 137 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.863 107.4 45.2 -66.1 -34.7 9.5 -37.3 37.3 194 195 A K H < S+ 0 0 180 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.849 134.2 12.6 -71.7 -36.6 5.7 -37.5 37.1 195 196 A D >< - 0 0 87 -4,-1.6 3,-2.2 -5,-0.1 -1,-0.3 -0.878 62.9-158.0-147.7 106.7 5.4 -34.7 34.5 196 197 A S T 3 S+ 0 0 87 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.799 97.2 51.2 -58.9 -27.5 8.5 -33.4 32.7 197 198 A A T > S+ 0 0 40 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.249 73.3 115.9 -93.7 13.5 6.7 -30.1 32.0 198 199 A A T < S+ 0 0 17 -3,-2.2 -113,-0.3 1,-0.3 -1,-0.2 0.769 83.9 35.6 -53.5 -31.3 5.6 -29.5 35.6 199 200 A Y T 3 S+ 0 0 5 -3,-0.4 -116,-2.8 -4,-0.2 -1,-0.3 0.187 89.1 125.2-111.2 16.0 7.7 -26.3 35.9 200 201 A D S < S- 0 0 70 -3,-1.9 3,-0.1 -118,-0.2 -118,-0.1 -0.360 74.6 -83.3 -72.5 155.1 7.2 -25.0 32.4 201 202 A C - 0 0 22 -120,-0.1 -1,-0.1 1,-0.1 -137,-0.0 -0.346 53.7-102.7 -57.1 138.2 5.9 -21.5 31.8 202 203 A P - 0 0 1 0, 0.0 -134,-0.1 0, 0.0 2,-0.1 -0.291 33.4-129.0 -65.1 142.6 2.1 -21.3 31.9 203 204 A T > - 0 0 68 1,-0.1 4,-1.7 -3,-0.1 3,-0.3 -0.397 27.2-103.7 -80.3 167.1 0.3 -21.0 28.6 204 205 A M H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.932 123.3 56.3 -53.1 -43.8 -2.3 -18.3 27.9 205 206 A K H 4 S+ 0 0 186 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.842 109.2 45.9 -61.9 -33.8 -5.0 -21.0 28.3 206 207 A Q H 4 S+ 0 0 83 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.766 121.4 34.6 -80.6 -28.2 -3.7 -21.8 31.8 207 208 A L H < S+ 0 0 0 -4,-1.7 2,-0.9 -3,-0.4 -2,-0.2 0.838 110.6 61.3 -93.8 -37.5 -3.4 -18.2 33.1 208 209 A V < + 0 0 7 -4,-3.2 -1,-0.2 -5,-0.3 -157,-0.1 -0.776 51.2 171.0 -99.9 98.1 -6.3 -16.5 31.3 209 210 A K S S+ 0 0 94 -2,-0.9 -1,-0.2 -159,-0.5 3,-0.1 0.726 78.9 42.6 -75.8 -20.9 -9.6 -18.0 32.4 210 211 A R > + 0 0 70 1,-0.1 3,-2.3 2,-0.0 -1,-0.2 -0.575 60.2 166.6-130.9 74.9 -11.6 -15.3 30.7 211 212 A P G > S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.673 72.1 72.6 -65.9 -19.7 -10.1 -14.6 27.3 212 213 A E G 3 S+ 0 0 144 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.737 91.4 59.7 -67.1 -21.0 -13.2 -12.6 26.2 213 214 A E G < S+ 0 0 80 -3,-2.3 -155,-0.3 2,-0.0 -1,-0.3 0.468 82.8 109.6 -81.4 -4.2 -12.0 -9.9 28.7 214 215 A L < - 0 0 46 -3,-1.6 145,-0.1 -4,-0.2 3,-0.1 -0.553 49.1-170.6 -75.1 136.2 -8.8 -9.5 26.7 215 216 A G - 0 0 19 -2,-0.2 144,-0.1 1,-0.2 143,-0.1 -0.391 45.8 -41.7-108.3-166.8 -8.3 -6.3 24.7 216 217 A P - 0 0 74 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.347 58.7-122.0 -58.3 136.9 -5.7 -5.2 22.1 217 218 A N + 0 0 69 1,-0.2 142,-0.1 -3,-0.1 -3,-0.0 -0.413 54.6 150.9 -84.1 64.1 -2.2 -6.3 23.2 218 219 A K + 0 0 58 -2,-2.0 -1,-0.2 1,-0.2 141,-0.0 0.736 66.9 38.5 -67.9 -27.7 -0.8 -2.7 23.2 219 220 A F S S- 0 0 10 -3,-0.2 -1,-0.2 140,-0.2 2,-0.1 -0.790 79.3-156.0-131.0 88.9 1.8 -3.3 26.0 220 221 A P - 0 0 44 0, 0.0 -158,-0.1 0, 0.0 -2,-0.0 -0.367 23.0-112.6 -66.9 142.7 3.5 -6.8 25.8 221 222 A G + 0 0 9 -160,-0.2 4,-0.3 4,-0.1 -158,-0.1 -0.152 62.0 63.1 -71.3 164.3 4.9 -8.1 29.0 222 223 A G S > S- 0 0 0 2,-0.1 4,-2.2 1,-0.1 3,-0.1 0.140 81.0 -84.3 103.7 153.0 8.6 -8.7 29.9 223 224 A E H > S+ 0 0 8 -208,-0.4 4,-2.5 -157,-0.3 5,-0.3 0.822 119.6 59.2 -55.6 -38.5 12.0 -7.2 30.4 224 225 A T H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.971 110.7 40.4 -57.7 -53.7 12.8 -7.3 26.7 225 226 A E H > S+ 0 0 36 -4,-0.3 4,-3.3 1,-0.2 5,-0.3 0.887 112.3 59.0 -60.5 -39.3 9.8 -5.0 25.8 226 227 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.939 110.2 40.5 -54.7 -51.2 10.6 -2.9 29.0 227 228 A L H X S+ 0 0 50 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.888 115.6 50.9 -68.2 -41.8 14.1 -2.0 27.8 228 229 A R H X S+ 0 0 102 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.907 113.3 45.9 -60.6 -45.6 13.0 -1.5 24.2 229 230 A R H X S+ 0 0 39 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.923 113.6 48.8 -64.7 -43.6 10.2 0.8 25.3 230 231 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.957 111.0 49.9 -59.2 -49.4 12.5 2.7 27.7 231 232 A E H X S+ 0 0 88 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.889 109.8 51.0 -59.9 -39.4 15.2 3.1 25.0 232 233 A E H >< S+ 0 0 121 -4,-2.0 3,-0.6 -5,-0.2 4,-0.5 0.898 111.7 48.3 -64.8 -39.0 12.6 4.4 22.6 233 234 A S H >< S+ 0 0 25 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.923 110.4 50.1 -63.3 -44.1 11.4 6.9 25.2 234 235 A L H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.566 89.0 87.1 -72.9 -8.4 14.9 8.1 26.1 235 236 A K T << S+ 0 0 179 -4,-0.6 2,-1.4 -3,-0.6 -1,-0.2 0.901 80.0 58.4 -65.0 -42.8 15.7 8.7 22.4 236 237 A D <> - 0 0 91 -3,-0.7 4,-2.4 -4,-0.5 3,-0.3 -0.681 69.1-178.1 -87.4 87.3 14.3 12.2 22.2 237 238 A E H > S+ 0 0 52 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.789 78.0 57.1 -64.0 -26.0 16.5 13.8 24.9 238 239 A I H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 108.2 46.7 -67.8 -45.6 14.8 17.2 24.6 239 240 A W H > S+ 0 0 89 -3,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.932 115.4 46.9 -60.2 -46.4 11.4 15.6 25.3 240 241 A V H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.2 55,-0.5 0.957 114.2 46.5 -59.6 -51.7 12.8 13.7 28.2 241 242 A A H 3< S+ 0 0 0 -4,-2.8 48,-2.5 1,-0.2 -2,-0.2 0.853 117.7 41.3 -64.3 -37.4 14.7 16.8 29.6 242 243 A R H 3< S+ 0 0 107 -4,-2.5 -1,-0.2 46,-0.2 -2,-0.2 0.365 83.0 138.8 -93.2 5.3 11.8 19.2 29.3 243 244 A F << + 0 0 7 -3,-1.1 2,-0.4 -4,-0.6 52,-0.2 -0.234 25.8 179.7 -56.2 129.6 9.1 16.8 30.5 244 245 A E > - 0 0 86 1,-0.1 3,-1.7 50,-0.1 4,-0.2 -0.949 20.6-148.8-132.8 113.3 6.4 18.3 32.9 245 246 A K G > S+ 0 0 36 48,-2.5 3,-2.2 -2,-0.4 -1,-0.1 0.866 93.1 56.4 -48.6 -50.1 3.8 15.8 34.0 246 247 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 47,-0.0 0.655 103.4 56.5 -62.9 -16.7 0.9 18.3 34.3 247 248 A N G < S+ 0 0 126 -3,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.310 84.0 102.1 -96.7 4.9 1.3 19.4 30.7 248 249 A T S < S- 0 0 16 -3,-2.2 117,-0.1 -4,-0.2 9,-0.1 -0.726 77.4-113.0 -91.3 142.7 0.9 15.9 29.3 249 250 A A - 0 0 20 -2,-0.3 7,-0.5 1,-0.1 3,-0.3 -0.504 15.0-159.4 -79.2 138.9 -2.5 15.1 27.7 250 251 A P S S+ 0 0 6 0, 0.0 113,-0.5 0, 0.0 -1,-0.1 0.657 92.5 41.6 -83.8 -18.8 -4.9 12.5 29.3 251 252 A N S S+ 0 0 4 177,-0.1 186,-0.2 111,-0.1 2,-0.1 0.075 72.3 128.3-119.8 20.7 -6.8 12.1 26.0 252 253 A S - 0 0 44 -3,-0.3 4,-0.1 1,-0.1 180,-0.1 -0.518 65.9-124.5 -69.8 147.3 -4.2 12.0 23.2 253 254 A L S S+ 0 0 71 -2,-0.1 -1,-0.1 2,-0.1 3,-0.0 0.905 100.3 47.1 -63.8 -38.8 -4.9 8.8 21.2 254 255 A E S S- 0 0 134 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 -0.788 112.9 -86.0 -98.3 144.0 -1.3 7.7 21.7 255 256 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.182 28.3-156.5 -51.3 134.1 0.1 7.9 25.3 256 257 A S S S+ 0 0 26 -7,-0.5 2,-0.2 -4,-0.1 -7,-0.0 0.560 77.6 52.4 -89.5 -7.1 1.6 11.2 26.2 257 258 A T S S- 0 0 23 -8,-0.1 106,-0.0 -9,-0.1 -8,-0.0 -0.462 102.4 -89.6-116.3-175.9 3.8 9.7 28.8 258 259 A T - 0 0 16 -2,-0.2 -25,-0.1 1,-0.1 -1,-0.0 0.815 37.1-147.3 -65.6 -35.4 6.3 6.8 28.8 259 260 A V + 0 0 3 1,-0.1 4,-0.2 3,-0.0 -1,-0.1 0.813 57.6 130.2 60.1 35.7 3.9 3.9 29.7 260 261 A L > + 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-0.4 0.502 39.2 98.0 -86.3 -5.3 6.7 2.3 31.6 261 262 A S H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.854 78.7 49.6 -56.9 -42.0 4.5 1.8 34.7 262 263 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.3 0.902 114.0 48.0 -65.2 -35.2 3.5 -1.9 34.0 263 264 A Y H >>S+ 0 0 0 -3,-0.4 6,-1.9 -4,-0.2 5,-1.4 0.843 113.2 46.9 -71.1 -37.3 7.1 -2.7 33.5 264 265 A L H <5S+ 0 0 13 -4,-2.4 -1,-0.2 4,-0.2 -250,-0.2 0.857 110.2 54.6 -68.5 -37.7 8.1 -0.9 36.7 265 266 A K H <5S+ 0 0 27 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.928 115.5 36.7 -62.4 -45.3 5.3 -2.5 38.6 266 267 A F H <5S- 0 0 20 -4,-2.0 -251,-1.9 -5,-0.2 -1,-0.2 0.542 111.8-116.1 -82.5 -10.9 6.4 -6.1 37.7 267 268 A G T <5S+ 0 0 0 -4,-0.7 -3,-0.2 -253,-0.3 -4,-0.1 0.639 76.2 132.9 78.0 14.7 10.1 -5.2 37.9 268 269 A C S - 0 0 0 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.680 7.9-152.7 -76.7 124.2 14.7 -1.6 37.0 271 272 A A H > S+ 0 0 2 -2,-0.5 4,-2.5 -134,-0.3 -1,-0.2 0.819 98.7 55.9 -61.5 -32.0 13.8 1.8 38.4 272 273 A R H > S+ 0 0 14 -135,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.868 108.4 46.1 -70.4 -39.0 17.4 2.3 39.3 273 274 A L H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 113.7 48.5 -65.3 -45.0 18.5 1.8 35.7 274 275 A F H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 111.7 50.4 -63.1 -41.4 15.8 4.1 34.5 275 276 A N H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.934 110.3 50.4 -60.1 -44.6 16.9 6.7 37.1 276 277 A Q H X S+ 0 0 74 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.917 109.6 49.3 -62.6 -46.8 20.5 6.4 36.0 277 278 A K H X S+ 0 0 60 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.871 110.7 51.0 -58.5 -42.0 19.6 6.9 32.3 278 279 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.922 107.4 52.5 -64.5 -45.9 17.6 10.0 33.1 279 280 A K H X S+ 0 0 100 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 106.6 53.4 -56.5 -43.6 20.4 11.5 35.1 280 281 A E H X S+ 0 0 78 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.891 111.9 46.4 -57.8 -38.9 22.8 11.0 32.2 281 282 A I H X S+ 0 0 3 -4,-1.5 4,-1.1 2,-0.2 3,-0.4 0.932 109.3 52.1 -71.4 -43.4 20.3 12.9 30.0 282 283 A I H >< S+ 0 0 39 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.883 106.1 56.0 -60.1 -38.4 19.7 15.7 32.4 283 284 A K H 3< S+ 0 0 194 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.856 109.7 47.0 -60.9 -39.2 23.5 16.2 32.7 284 285 A R H 3< S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.644 103.9 66.9 -73.9 -21.3 23.5 16.6 28.9 285 286 A Q << - 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