==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/DNA 20-APR-08 3CVX . COMPND 2 MOLECULE: RE11660P; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.J.MAUL,T.R.M.BARENDS,A.F.GLAS,M.J.CRYLE,I.SCHLICHTING, . 502 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.4 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 . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 37.6 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 1 2 4 1 1 1 0 4 2 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 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 4 A Q 0 0 140 0, 0.0 2,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 83.3 24.1 34.9 -43.5 2 5 A R - 0 0 60 95,-0.1 2,-0.3 1,-0.0 33,-0.2 -0.256 360.0 -82.2-119.5-157.3 24.8 31.2 -44.5 3 6 A S E -a 35 0A 19 31,-1.5 33,-2.4 -2,-0.1 2,-0.4 -0.852 37.8-122.4-115.1 158.3 22.9 28.4 -46.3 4 7 A T E -ab 36 99A 6 94,-1.4 96,-2.3 93,-0.4 97,-1.0 -0.850 11.2-157.5-107.7 134.0 20.3 26.0 -44.8 5 8 A L E -ab 37 101A 4 31,-3.4 33,-2.8 -2,-0.4 2,-0.5 -0.943 18.2-160.2-104.7 124.8 20.4 22.2 -44.7 6 9 A V E -ab 38 102A 1 95,-2.7 97,-2.1 -2,-0.5 2,-0.5 -0.917 17.3-172.6-113.2 124.3 17.0 20.6 -44.4 7 10 A H E -ab 39 103A 2 31,-0.9 33,-2.9 -2,-0.5 2,-0.7 -0.970 21.0-149.0-101.9 130.8 16.1 17.2 -43.2 8 11 A W E -a 40 0A 5 95,-3.3 97,-0.4 -2,-0.5 2,-0.3 -0.890 6.1-153.1-106.5 112.9 12.4 16.6 -43.8 9 12 A F E +a 41 0A 0 31,-3.7 33,-0.7 -2,-0.7 3,-0.1 -0.659 39.5 133.2 -81.5 134.5 10.7 14.2 -41.3 10 13 A R S S- 0 0 26 1,-1.7 2,-0.2 -2,-0.3 -1,-0.1 0.228 83.0 -2.6-134.7 -82.2 7.6 12.3 -42.4 11 14 A K S S+ 0 0 28 94,-0.2 -1,-1.7 1,-0.1 94,-0.3 -0.428 114.0 65.2 -91.0-176.6 8.0 8.8 -41.3 12 15 A G - 0 0 1 252,-0.6 2,-1.4 251,-0.2 253,-0.3 0.985 60.1-179.7 62.0 60.3 11.3 7.8 -39.6 13 16 A L + 0 0 1 251,-1.5 2,-0.3 248,-0.2 208,-0.2 -0.578 44.8 92.0 -93.5 71.6 10.8 10.0 -36.5 14 17 A R - 0 0 2 -2,-1.4 253,-0.1 -3,-0.1 252,-0.1 -0.976 64.9-144.1-155.5 157.8 14.0 9.0 -34.8 15 18 A L S > S+ 0 0 5 -2,-0.3 3,-0.7 251,-0.1 7,-0.1 0.794 81.0 84.8 -91.5 -40.0 17.7 10.1 -34.5 16 19 A H T 3 S- 0 0 12 1,-0.2 157,-0.2 250,-0.1 158,-0.2 -0.353 105.0 -0.1 -67.2 142.7 19.1 6.6 -34.3 17 20 A D T 3 S+ 0 0 0 156,-1.0 -1,-0.2 155,-0.9 253,-0.1 0.901 88.6 137.2 38.7 59.9 19.8 4.8 -37.6 18 21 A N X> + 0 0 1 -3,-0.7 4,-2.9 155,-0.5 3,-0.7 -0.754 25.4 176.1-128.8 85.2 18.6 7.8 -39.8 19 22 A P H 3> S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.845 80.8 58.1 -59.7 -36.8 21.1 8.2 -42.6 20 23 A A H 3> S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 111,-0.1 0.831 114.1 38.5 -61.4 -35.0 19.1 11.0 -44.2 21 24 A L H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 3,-0.5 0.887 114.1 53.6 -79.9 -44.8 19.4 12.9 -41.0 22 25 A S H X S+ 0 0 17 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.853 102.5 59.0 -58.3 -38.7 23.0 12.0 -40.2 23 26 A H H X S+ 0 0 57 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.852 106.7 47.6 -60.3 -38.1 24.1 13.1 -43.7 24 27 A I H X S+ 0 0 1 -4,-0.6 4,-2.1 -3,-0.5 -1,-0.2 0.927 116.7 43.3 -65.4 -47.4 22.8 16.6 -42.9 25 28 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.911 114.5 47.3 -67.8 -46.0 24.5 16.7 -39.5 26 29 A T H X S+ 0 0 57 -4,-3.5 4,-0.7 1,-0.2 -1,-0.2 0.690 112.8 51.2 -73.4 -19.6 27.9 15.2 -40.6 27 30 A A H < S+ 0 0 35 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.914 111.5 47.2 -74.9 -48.0 27.9 17.6 -43.6 28 31 A A H >< S+ 0 0 4 -4,-2.1 3,-1.4 1,-0.2 6,-0.3 0.922 114.6 43.8 -61.0 -51.2 27.3 20.6 -41.3 29 32 A N H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.775 111.7 54.9 -66.8 -28.2 29.9 19.7 -38.7 30 33 A A T 3< S+ 0 0 82 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.198 115.5 40.1 -89.6 14.4 32.5 18.8 -41.4 31 34 A A S X S- 0 0 31 -3,-1.4 3,-1.3 4,-0.0 -1,-0.2 -0.305 95.0-156.5-151.2 58.8 32.0 22.3 -42.9 32 35 A P T 3 + 0 0 79 0, 0.0 -3,-0.1 0, 0.0 148,-0.1 0.099 63.9 3.0 -52.6 146.7 31.8 24.5 -39.8 33 36 A G T 3 S+ 0 0 39 147,-0.6 -4,-0.1 146,-0.4 147,-0.1 0.504 104.6 93.2 64.4 7.9 30.0 27.9 -39.7 34 37 A R S < S+ 0 0 143 -3,-1.3 -31,-1.5 -6,-0.3 2,-0.3 0.508 81.3 49.8-104.6 -9.2 28.8 27.7 -43.3 35 38 A Y E -a 3 0A 20 -4,-0.2 2,-0.4 -33,-0.2 -31,-0.2 -0.865 56.0-148.3-133.7 158.7 25.4 26.2 -42.6 36 39 A F E -a 4 0A 16 -33,-2.4 -31,-3.4 -2,-0.3 2,-0.4 -0.990 26.0-138.9-120.3 139.1 22.1 26.4 -40.7 37 40 A V E -a 5 0A 2 -2,-0.4 -31,-0.2 -33,-0.2 41,-0.1 -0.835 18.4-178.1-102.2 132.0 20.3 23.1 -39.9 38 41 A R E -a 6 0A 2 -33,-2.8 2,-0.9 -2,-0.4 -31,-0.9 -0.775 4.5-173.2-129.3 86.5 16.5 22.8 -40.2 39 42 A P E -a 7 0A 0 0, 0.0 41,-1.7 0, 0.0 2,-0.3 -0.729 29.1-173.5 -76.3 109.0 15.1 19.4 -39.2 40 43 A I E -ac 8 80A 0 -33,-2.9 -31,-3.7 -2,-0.9 2,-0.4 -0.730 32.3-161.5-114.5 153.7 11.5 19.9 -40.2 41 44 A F E -ac 9 81A 22 39,-2.6 41,-1.6 -2,-0.3 2,-0.7 -0.997 21.6-141.4-125.5 127.6 8.1 18.2 -40.0 42 45 A I E - c 0 82A 21 -33,-0.7 2,-0.5 -2,-0.4 41,-0.2 -0.802 20.6-168.5 -94.3 113.1 5.4 19.5 -42.3 43 46 A L E - c 0 83A 12 39,-2.9 41,-3.2 -2,-0.7 3,-0.1 -0.870 16.4-150.0-106.6 127.7 2.0 19.5 -40.6 44 47 A D > - 0 0 34 -2,-0.5 3,-0.8 39,-0.2 39,-0.1 -0.850 10.3-172.0 -94.0 104.8 -1.2 20.1 -42.5 45 48 A P T 3 S+ 0 0 66 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.685 79.1 69.4 -73.8 -17.3 -3.5 21.8 -39.9 46 49 A G T > S+ 0 0 53 1,-0.2 2,-0.9 2,-0.1 3,-0.5 0.836 93.6 57.5 -64.7 -36.6 -6.5 21.4 -42.2 47 50 A I T < S+ 0 0 65 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.1 -0.483 71.8 102.2 -98.5 62.9 -6.6 17.7 -41.8 48 51 A L T 3 S+ 0 0 17 -2,-0.9 159,-0.3 -3,-0.4 -1,-0.2 0.631 87.1 38.6-109.3 -25.3 -7.0 17.4 -38.0 49 52 A D S < S+ 0 0 99 -3,-0.5 2,-0.6 157,-0.1 -2,-0.1 -0.143 79.8 126.4-119.3 35.6 -10.7 16.6 -37.9 50 53 A W > - 0 0 125 1,-0.1 3,-1.4 3,-0.1 -3,-0.0 -0.883 67.9-123.0 -90.8 117.0 -10.8 14.3 -41.0 51 54 A M T 3 S+ 0 0 115 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.642 97.8 74.1 -25.1 -51.5 -12.5 11.0 -39.8 52 55 A Q T 3 S+ 0 0 23 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.343 87.3 67.0 -67.2 5.8 -9.7 8.6 -40.7 53 56 A V S < S- 0 0 23 -3,-1.4 337,-0.2 338,-0.1 338,-0.1 -0.920 75.6-151.1-126.4 106.6 -7.4 9.6 -37.9 54 57 A G > - 0 0 4 336,-2.4 4,-1.4 -2,-0.5 3,-0.5 -0.222 28.8-108.3 -66.8 162.1 -8.7 8.8 -34.4 55 58 A A H > S+ 0 0 5 1,-0.2 4,-2.0 153,-0.2 5,-0.2 0.858 115.4 63.9 -60.6 -37.8 -7.7 10.9 -31.4 56 59 A N H > S+ 0 0 14 1,-0.2 4,-1.6 155,-0.2 -1,-0.2 0.864 104.0 45.6 -55.4 -42.3 -5.5 8.1 -30.1 57 60 A R H > S+ 0 0 18 -3,-0.5 4,-2.2 333,-0.3 -1,-0.2 0.839 108.2 57.0 -72.0 -34.9 -3.1 8.3 -33.1 58 61 A W H X S+ 0 0 23 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.863 106.9 50.4 -61.2 -37.5 -3.1 12.1 -32.8 59 62 A R H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.908 107.3 53.7 -64.0 -44.2 -1.8 11.7 -29.3 60 63 A F H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.911 111.3 44.8 -58.4 -45.2 0.9 9.3 -30.5 61 64 A L H X S+ 0 0 15 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.901 111.1 53.5 -65.2 -43.0 2.1 11.9 -33.1 62 65 A Q H X S+ 0 0 10 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.896 113.0 43.7 -57.8 -43.3 1.9 14.7 -30.5 63 66 A Q H X S+ 0 0 41 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.834 113.7 51.9 -71.0 -34.8 4.1 12.7 -28.1 64 67 A T H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 157,-0.3 0.895 109.8 47.2 -68.9 -43.3 6.4 11.6 -31.0 65 68 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.845 111.6 52.4 -67.4 -34.1 7.0 15.2 -32.2 66 69 A E H X S+ 0 0 94 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.851 113.1 43.7 -70.1 -37.0 7.7 16.3 -28.6 67 70 A D H X S+ 0 0 16 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.949 110.5 53.9 -70.9 -51.7 10.3 13.5 -28.1 68 71 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.870 110.4 48.8 -49.3 -42.9 11.9 14.1 -31.4 69 72 A D H X S+ 0 0 20 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.903 110.1 50.3 -63.8 -44.0 12.3 17.8 -30.5 70 73 A N H X S+ 0 0 53 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.822 113.1 46.8 -64.3 -33.0 13.8 16.8 -27.0 71 74 A Q H X S+ 0 0 34 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.815 112.2 48.8 -78.6 -34.3 16.3 14.5 -28.7 72 75 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.3 3,-0.5 0.793 104.2 62.2 -71.8 -30.8 17.2 17.1 -31.3 73 76 A R H ><5S+ 0 0 124 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.871 98.2 55.9 -59.4 -41.2 17.7 19.6 -28.5 74 77 A K H 3<5S+ 0 0 129 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 102.3 56.7 -65.0 -25.7 20.5 17.4 -27.0 75 78 A L T <<5S- 0 0 15 -3,-0.5 103,-2.2 -4,-0.5 -1,-0.3 0.046 126.2-100.2 -94.2 23.6 22.3 17.6 -30.4 76 79 A N T < 5S+ 0 0 78 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.749 98.0 81.8 61.9 28.6 22.4 21.4 -30.2 77 80 A S < - 0 0 21 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.2 -0.436 62.2-145.7-130.6-153.4 19.4 21.7 -32.6 78 81 A R - 0 0 66 -2,-0.2 2,-0.3 -3,-0.1 -9,-0.1 -0.958 23.8 -92.8-169.6 170.3 15.6 21.5 -32.5 79 82 A L - 0 0 1 -2,-0.3 2,-0.5 -14,-0.1 -39,-0.2 -0.671 25.5-151.7 -92.0 152.3 12.5 20.4 -34.5 80 83 A F E -c 40 0A 5 -41,-1.7 -39,-2.6 -2,-0.3 2,-1.5 -0.881 3.6-165.0-126.7 99.0 10.6 22.7 -36.7 81 84 A V E -c 41 0A 0 116,-2.9 2,-0.4 -2,-0.5 -39,-0.2 -0.661 16.9-165.1 -84.7 89.0 6.9 21.8 -37.1 82 85 A V E -c 42 0A 0 -41,-1.6 -39,-2.9 -2,-1.5 2,-0.3 -0.643 11.0-135.9 -82.2 125.7 6.0 23.9 -40.1 83 86 A R E +c 43 0A 61 -2,-0.4 -39,-0.2 113,-0.3 2,-0.2 -0.611 57.6 50.1 -84.1 138.8 2.3 24.3 -40.7 84 87 A G S S- 0 0 14 -41,-3.2 -2,-0.0 -2,-0.3 3,-0.0 -0.626 89.3 -51.9 130.7 173.5 0.9 24.0 -44.2 85 88 A K >> - 0 0 122 -2,-0.2 4,-2.9 1,-0.1 3,-0.9 -0.681 48.3-124.6 -81.5 138.9 0.8 21.8 -47.3 86 89 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.828 108.7 60.1 -52.7 -38.9 4.3 20.9 -48.7 87 90 A A H 34 S+ 0 0 83 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.856 115.6 33.3 -59.5 -39.8 3.4 22.3 -52.2 88 91 A E H <> S+ 0 0 104 -3,-0.9 4,-0.9 2,-0.1 -1,-0.2 0.895 119.9 52.1 -78.4 -45.2 2.9 25.8 -50.7 89 92 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.911 100.1 57.4 -64.2 -51.7 5.5 25.5 -47.9 90 93 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.887 101.8 52.4 -50.7 -54.0 8.7 24.4 -49.8 91 94 A P H > S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.878 112.9 46.6 -52.9 -43.1 8.9 27.3 -52.3 92 95 A R H X S+ 0 0 61 -4,-0.9 4,-2.7 -3,-0.4 5,-0.2 0.957 116.6 41.6 -61.3 -55.2 8.7 29.9 -49.5 93 96 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 6,-0.3 0.692 108.4 62.3 -72.3 -20.1 11.3 28.2 -47.2 94 97 A F H X>S+ 0 0 11 -4,-2.5 5,-1.4 -5,-0.3 4,-0.7 0.931 114.7 32.1 -64.8 -47.5 13.6 27.4 -50.1 95 98 A K H <5S+ 0 0 157 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.1 0.907 122.3 46.6 -75.8 -46.2 14.0 31.1 -50.8 96 99 A S H <5S+ 0 0 37 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.712 122.1 35.8 -76.2 -21.9 13.8 32.5 -47.3 97 100 A W H <5S- 0 0 9 -4,-1.2 -93,-0.4 -5,-0.2 -1,-0.2 0.557 99.7-132.5-102.0 -12.8 16.2 29.8 -45.8 98 101 A R T <5 - 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0 0 1 -103,-2.2 3,-0.4 -2,-0.4 2,-0.4 -0.362 35.0-143.0 -61.9 114.2 26.2 20.2 -33.9 179 182 A K S S- 0 0 112 -2,-0.3 -146,-0.4 1,-0.2 -1,-0.1 -0.652 72.6 -7.6 -83.0 128.8 29.5 22.1 -33.5 180 183 A N S S+ 0 0 122 -2,-0.4 -147,-0.6 1,-0.2 -1,-0.2 0.963 86.4 154.2 50.6 71.6 29.3 25.9 -33.5 181 184 A M - 0 0 39 -3,-0.4 -1,-0.2 -149,-0.1 2,-0.1 -0.866 25.0-167.0-135.6 97.4 25.6 26.4 -34.5 182 185 A P - 0 0 64 0, 0.0 -149,-0.0 0, 0.0 0, 0.0 -0.384 45.7 -82.5 -70.1 161.6 23.7 29.5 -33.6 183 186 A T - 0 0 123 1,-0.1 3,-0.1 -2,-0.1 -106,-0.0 -0.487 55.9-100.0 -64.8 132.7 19.9 29.4 -34.0 184 187 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.267 48.6 -95.0 -52.9 137.8 18.9 30.1 -37.6 185 188 A P - 0 0 83 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.277 51.5 -91.0 -58.7 142.6 17.8 33.7 -38.0 186 189 A K - 0 0 133 -3,-0.1 8,-0.0 4,-0.1 -3,-0.0 -0.339 43.1-144.1 -61.2 122.7 14.0 34.1 -37.8 187 190 A D > - 0 0 4 -2,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.018 38.8 -80.1 -73.1-173.1 12.3 33.9 -41.1 188 191 A E H > S+ 0 0 99 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.794 132.1 46.2 -64.2 -31.0 9.2 35.9 -42.2 189 192 A V H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.872 112.6 49.2 -77.1 -40.4 6.8 33.6 -40.3 190 193 A E H 4 S+ 0 0 13 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.766 103.2 61.4 -72.0 -28.4 9.0 33.5 -37.1 191 194 A Q H < S+ 0 0 126 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.888 108.5 42.7 -63.3 -40.3 9.3 37.3 -37.0 192 195 A K H < S+ 0 0 193 -4,-0.8 2,-0.2 1,-0.3 -2,-0.2 0.731 137.1 10.6 -82.3 -24.3 5.5 37.7 -36.7 193 196 A D >< - 0 0 90 -4,-1.2 3,-1.4 1,-0.1 -1,-0.3 -0.766 63.4-161.2-154.0 111.4 5.3 34.8 -34.1 194 197 A S T 3 S+ 0 0 88 1,-0.3 3,-0.4 -3,-0.3 -4,-0.1 0.760 92.4 55.3 -62.6 -28.3 8.4 33.3 -32.6 195 198 A A T > S+ 0 0 44 1,-0.2 3,-1.0 2,-0.1 -1,-0.3 0.048 73.4 116.2 -93.8 25.1 6.6 30.1 -31.5 196 199 A A T < S+ 0 0 17 -3,-1.4 -113,-0.3 1,-0.2 -1,-0.2 0.767 78.9 37.7 -67.7 -29.9 5.4 29.4 -35.0 197 200 A Y T 3 S+ 0 0 4 -3,-0.4 -116,-2.9 -115,-0.1 -1,-0.2 0.204 89.1 124.2-110.5 14.0 7.3 26.1 -35.5 198 201 A D S < S- 0 0 67 -3,-1.0 -118,-0.1 -118,-0.2 3,-0.0 -0.201 74.6 -78.2 -69.1 163.1 7.0 24.7 -32.0 199 202 A C - 0 0 24 1,-0.1 2,-0.2 -120,-0.1 -1,-0.2 -0.445 50.8-111.8 -60.5 128.0 5.5 21.3 -31.2 200 203 A P - 0 0 1 0, 0.0 -134,-0.1 0, 0.0 -1,-0.1 -0.470 33.9-131.6 -59.3 129.0 1.7 21.3 -31.3 201 204 A T >> - 0 0 77 -2,-0.2 4,-2.0 1,-0.1 3,-1.2 -0.326 30.9 -93.3 -74.6 166.0 0.4 20.8 -27.8 202 205 A M H 3> S+ 0 0 66 1,-0.3 4,-3.2 2,-0.2 -1,-0.1 0.902 127.3 56.2 -44.2 -52.8 -2.4 18.2 -27.0 203 206 A K H 34 S+ 0 0 187 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.821 109.6 47.7 -48.2 -37.8 -5.1 20.9 -27.5 204 207 A Q H <4 S+ 0 0 84 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.937 120.8 31.0 -76.4 -50.0 -3.7 21.6 -31.0 205 208 A L H < S+ 0 0 1 -4,-2.0 2,-1.0 1,-0.2 -2,-0.2 0.892 114.5 61.3 -76.7 -40.9 -3.4 18.1 -32.4 206 209 A V < + 0 0 9 -4,-3.2 -1,-0.2 -5,-0.3 -157,-0.1 -0.752 52.6 163.3 -96.6 96.9 -6.3 16.5 -30.5 207 210 A K S S+ 0 0 110 -2,-1.0 -1,-0.2 -159,-0.3 -158,-0.1 0.580 77.5 42.4 -86.3 -12.7 -9.5 18.2 -31.5 208 211 A R > + 0 0 90 1,-0.1 3,-1.9 2,-0.0 -1,-0.2 -0.560 63.4 166.7-133.6 71.0 -11.7 15.4 -30.1 209 212 A P G > + 0 0 73 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.540 66.8 76.5 -69.8 -7.6 -10.2 14.3 -26.7 210 213 A E G 3 S+ 0 0 148 1,-0.2 -2,-0.0 -155,-0.0 0, 0.0 0.647 89.7 58.7 -75.6 -16.1 -13.4 12.3 -25.8 211 214 A E G < S+ 0 0 63 -3,-1.9 2,-0.4 2,-0.0 -1,-0.2 0.594 83.9 108.9 -81.0 -14.7 -12.2 9.6 -28.2 212 215 A L < - 0 0 39 -3,-0.8 3,-0.1 -4,-0.2 145,-0.1 -0.515 48.6-175.0 -72.8 120.2 -8.9 9.3 -26.2 213 216 A G - 0 0 21 143,-0.5 144,-0.1 -2,-0.4 2,-0.1 -0.101 46.7 -38.8 -93.8-162.0 -8.6 6.1 -24.2 214 217 A P - 0 0 67 0, 0.0 2,-2.1 0, 0.0 3,-0.3 -0.364 57.0-121.4 -65.3 140.0 -5.9 5.1 -21.7 215 218 A N + 0 0 71 1,-0.2 142,-0.1 -3,-0.1 -3,-0.0 -0.417 55.1 149.3 -82.4 65.7 -2.4 6.1 -22.8 216 219 A K + 0 0 60 -2,-2.1 -1,-0.2 1,-0.2 141,-0.0 0.774 67.4 39.4 -71.4 -28.6 -1.0 2.5 -22.8 217 220 A F S S- 0 0 9 -3,-0.3 -1,-0.2 140,-0.2 2,-0.1 -0.803 77.5-156.6-129.8 89.8 1.6 3.1 -25.5 218 221 A P - 0 0 41 0, 0.0 -158,-0.1 0, 0.0 2,-0.1 -0.355 21.4-121.7 -61.1 140.9 3.4 6.5 -25.4 219 222 A G + 0 0 9 -160,-0.2 4,-0.2 4,-0.1 3,-0.1 -0.288 58.5 73.3 -80.3 167.5 4.8 7.8 -28.7 220 223 A G S > S- 0 0 0 1,-0.1 4,-1.5 2,-0.1 -156,-0.1 -0.185 81.6 -85.9 112.3 158.2 8.4 8.6 -29.5 221 224 A E H > S+ 0 0 8 -157,-0.3 4,-2.6 -208,-0.2 5,-0.2 0.854 119.1 59.7 -63.5 -40.3 11.9 7.1 -30.1 222 225 A T H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 109.4 40.8 -60.6 -46.1 12.7 6.9 -26.4 223 226 A E H > S+ 0 0 38 -4,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.815 111.6 58.5 -72.3 -32.7 9.8 4.7 -25.5 224 227 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.933 111.5 40.6 -58.7 -48.8 10.4 2.7 -28.7 225 228 A L H X S+ 0 0 53 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.882 115.6 51.7 -67.0 -41.1 13.9 1.9 -27.5 226 229 A R H X S+ 0 0 101 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.913 112.5 45.0 -60.4 -46.1 12.7 1.3 -23.9 227 230 A R H X S+ 0 0 41 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.840 112.2 52.5 -69.9 -35.4 10.0 -1.1 -25.1 228 231 A M H >X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 3,-0.5 0.980 110.6 45.0 -63.7 -57.8 12.4 -3.0 -27.4 229 232 A E H 3X S+ 0 0 84 -4,-2.3 4,-0.8 1,-0.3 -2,-0.2 0.872 110.2 57.9 -53.2 -40.8 15.0 -3.6 -24.8 230 233 A E H 3< S+ 0 0 116 -4,-1.9 3,-0.5 -5,-0.2 4,-0.4 0.901 111.1 41.6 -53.2 -46.4 12.2 -4.6 -22.4 231 234 A S H X< S+ 0 0 20 -4,-1.8 3,-0.7 -3,-0.5 -2,-0.2 0.896 112.2 53.3 -70.5 -43.5 11.2 -7.3 -24.9 232 235 A L H 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.496 88.0 84.4 -73.7 -4.5 14.7 -8.4 -25.7 233 236 A K T 3< S+ 0 0 171 -4,-0.8 2,-1.6 -3,-0.5 -1,-0.2 0.927 83.4 57.7 -63.6 -48.0 15.5 -8.9 -22.0 234 237 A D <> + 0 0 92 -3,-0.7 4,-2.3 -4,-0.4 3,-0.3 -0.636 69.9 177.6 -84.1 82.0 14.1 -12.4 -22.0 235 238 A E H > S+ 0 0 44 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.708 77.7 57.8 -62.6 -21.9 16.3 -13.8 -24.7 236 239 A I H > S+ 0 0 79 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.942 107.7 45.8 -68.8 -50.1 14.7 -17.2 -24.2 237 240 A W H > S+ 0 0 92 -3,-0.3 4,-0.9 1,-0.2 -2,-0.2 0.909 114.1 49.4 -58.3 -46.2 11.2 -15.8 -25.0 238 241 A V H >< S+ 0 0 4 -4,-2.3 3,-0.6 -7,-0.2 55,-0.4 0.933 111.8 48.9 -56.0 -50.3 12.6 -13.9 -28.0 239 242 A A H 3< S+ 0 0 0 -4,-2.0 48,-2.6 1,-0.2 -2,-0.2 0.864 117.2 37.4 -62.3 -42.2 14.4 -17.0 -29.4 240 243 A R H 3< S+ 0 0 114 -4,-2.1 -1,-0.2 46,-0.2 -2,-0.2 0.404 82.2 140.3 -98.4 0.9 11.5 -19.4 -29.2 241 244 A F << - 0 0 11 -4,-0.9 2,-0.4 -3,-0.6 52,-0.2 -0.168 26.8-177.0 -44.0 125.4 8.7 -16.9 -30.1 242 245 A E >> - 0 0 79 50,-0.1 3,-1.6 1,-0.1 4,-0.6 -0.960 22.8-142.1-132.9 116.2 6.1 -18.5 -32.5 243 246 A K G >4 S+ 0 0 38 48,-2.2 3,-1.2 -2,-0.4 120,-0.1 0.817 98.2 51.0 -47.3 -48.1 3.4 -16.2 -33.7 244 247 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 47,-0.0 0.767 103.3 60.8 -64.4 -24.6 0.5 -18.7 -33.6 245 248 A N G <4 S+ 0 0 116 -3,-1.6 2,-0.3 2,-0.1 -2,-0.2 0.626 83.0 98.5 -77.3 -14.2 1.3 -19.6 -30.0 246 249 A T S << S- 0 0 13 -3,-1.2 117,-0.1 -4,-0.6 9,-0.1 -0.596 81.1-116.0 -78.1 132.5 0.8 -16.0 -28.8 247 250 A A - 0 0 19 -2,-0.3 7,-0.5 1,-0.1 3,-0.4 -0.458 14.8-157.4 -73.3 134.6 -2.7 -15.4 -27.2 248 251 A P S S+ 0 0 7 0, 0.0 113,-0.5 0, 0.0 116,-0.1 0.766 92.5 41.2 -76.3 -26.1 -5.0 -13.0 -29.0 249 252 A N S S+ 0 0 2 177,-0.1 186,-0.2 111,-0.1 2,-0.2 0.057 75.2 132.0-118.0 22.2 -7.1 -12.3 -25.8 250 253 A S - 0 0 40 -3,-0.4 4,-0.2 1,-0.1 111,-0.1 -0.541 60.9-128.1 -69.6 142.6 -4.5 -12.0 -23.0 251 254 A L S S+ 0 0 69 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.915 98.1 41.9 -64.0 -46.1 -5.1 -8.9 -20.9 252 255 A E S S- 0 0 115 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 -0.833 115.7 -81.1 -97.0 144.6 -1.6 -7.7 -21.3 253 256 A P - 0 0 37 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.105 29.6-159.0 -52.0 130.6 0.0 -8.0 -24.8 254 257 A S S S+ 0 0 27 -7,-0.5 2,-0.2 -4,-0.2 -7,-0.0 0.641 78.2 51.8 -81.7 -17.7 1.4 -11.5 -25.6 255 258 A T S S- 0 0 21 -8,-0.1 106,-0.0 -9,-0.1 -8,-0.0 -0.504 101.7 -91.6-111.5-177.1 3.6 -9.9 -28.3 256 259 A T - 0 0 20 -2,-0.2 -25,-0.1 1,-0.0 -26,-0.0 0.840 39.2-148.6 -65.4 -39.4 6.1 -7.1 -28.4 257 260 A V + 0 0 3 1,-0.0 4,-0.1 -40,-0.0 -30,-0.1 0.939 54.4 130.4 60.3 52.9 3.8 -4.2 -29.4 258 261 A L > + 0 0 1 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.300 37.4 101.4-108.4 3.8 6.4 -2.3 -31.4 259 262 A S H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.826 79.1 49.3 -62.5 -37.4 4.2 -1.9 -34.4 260 263 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.866 114.1 47.4 -68.9 -32.4 3.2 1.7 -33.8 261 264 A Y H >>S+ 0 0 0 2,-0.2 5,-2.9 1,-0.2 6,-1.8 0.828 114.1 46.3 -74.7 -35.2 6.9 2.6 -33.3 262 265 A L H <5S+ 0 0 17 -4,-2.3 -1,-0.2 3,-0.2 -3,-0.2 0.807 110.9 55.3 -73.4 -31.5 7.9 0.7 -36.4 263 266 A K H <5S+ 0 0 23 -4,-1.9 -2,-0.2 -5,-0.2 -251,-0.2 0.940 115.9 34.3 -65.2 -51.7 5.0 2.4 -38.3 264 267 A F H <5S- 0 0 24 -4,-2.0 -251,-1.5 -253,-0.1 -252,-0.6 0.645 114.9-115.5 -78.6 -16.8 6.1 6.0 -37.4 265 268 A G T <5S+ 0 0 1 -4,-0.9 -3,-0.2 -253,-0.3 -4,-0.1 0.828 75.4 133.5 81.5 34.6 9.7 5.0 -37.6 266 269 A C S - 0 0 0 -2,-0.4 4,-2.4 1,-0.2 3,-0.2 -0.650 8.8-153.4 -74.7 118.1 14.6 1.3 -36.9 269 272 A A H > S+ 0 0 1 -2,-0.6 4,-2.0 -133,-0.5 -1,-0.2 0.791 98.6 57.5 -60.4 -29.0 13.5 -2.1 -38.3 270 273 A R H > S+ 0 0 16 -135,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.894 107.6 45.6 -66.1 -43.1 17.1 -2.5 -39.2 271 274 A L H > S+ 0 0 29 -3,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.891 111.8 50.6 -69.2 -42.6 18.2 -2.2 -35.6 272 275 A F H X S+ 0 0 5 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 113.2 47.8 -60.5 -44.3 15.4 -4.5 -34.3 273 276 A N H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.938 113.2 47.3 -56.9 -51.6 16.6 -7.0 -36.9 274 277 A Q H X S+ 0 0 79 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.891 111.8 50.1 -60.0 -44.1 20.3 -6.5 -35.9 275 278 A K H X S+ 0 0 55 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.840 113.0 47.1 -63.6 -36.0 19.4 -6.9 -32.2 276 279 A L H >X S+ 0 0 2 -4,-1.8 4,-2.5 -5,-0.2 3,-0.7 0.911 105.8 57.9 -71.5 -46.0 17.4 -10.1 -32.9 277 280 A K H 3X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.896 105.6 49.5 -51.6 -48.0 20.1 -11.7 -35.0 278 281 A E H 3X S+ 0 0 77 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.738 110.1 51.8 -67.8 -24.2 22.7 -11.5 -32.2 279 282 A I H XX S+ 0 0 4 -3,-0.7 4,-2.0 -4,-0.7 3,-0.7 0.906 105.9 54.4 -74.9 -44.8 20.2 -13.1 -29.8 280 283 A I H 3< S+ 0 0 35 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.915 106.6 51.8 -49.9 -49.7 19.6 -15.9 -32.2 281 284 A K H 3< S+ 0 0 178 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 112.5 46.6 -60.3 -27.6 23.4 -16.6 -32.3 282 285 A R H << S+ 0 0 129 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.736 105.6 63.3 -88.3 -25.9 23.4 -16.7 -28.5 283 286 A Q < - 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