==== 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 3CVU . 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, . 501 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.6 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 . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 37.5 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 1 0 0 0 0 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 5 A R 0 0 114 0, 0.0 2,-0.2 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 158.5 61.8 -31.0 1.0 2 6 A S E -a 34 0A 26 31,-1.5 33,-2.4 96,-0.0 2,-0.4 -0.634 360.0-114.8-103.5 167.7 63.9 -28.6 -1.1 3 7 A T E -ab 35 98A 6 94,-2.3 96,-2.5 31,-0.2 97,-1.2 -0.873 13.1-156.5-115.3 136.5 66.3 -26.1 0.5 4 8 A L E -ab 36 100A 1 31,-3.0 33,-2.7 -2,-0.4 2,-0.5 -0.949 20.5-162.2-104.7 128.0 66.3 -22.3 0.6 5 9 A V E -ab 37 101A 0 95,-2.7 97,-2.4 -2,-0.5 2,-0.5 -0.934 14.4-166.0-117.6 129.4 69.8 -20.8 1.1 6 10 A H E -ab 38 102A 3 31,-1.5 33,-3.1 -2,-0.5 2,-0.7 -0.971 16.2-149.9-106.6 130.3 70.8 -17.4 2.2 7 11 A W E -ab 39 103A 6 95,-3.1 97,-0.5 -2,-0.5 2,-0.4 -0.882 6.9-157.8-106.6 108.0 74.5 -16.6 1.6 8 12 A F E +a 40 0A 1 31,-3.1 33,-0.6 -2,-0.7 3,-0.2 -0.694 36.9 137.5 -76.6 130.6 76.0 -14.2 4.1 9 13 A R S S- 0 0 30 1,-1.5 -1,-0.2 -2,-0.4 2,-0.2 0.333 87.3 -7.9-131.6 -70.4 79.2 -12.4 2.9 10 14 A K S S+ 0 0 25 94,-0.2 -1,-1.5 1,-0.1 254,-0.2 -0.205 113.6 75.4 -94.4-155.9 78.6 -8.9 4.2 11 15 A G + 0 0 1 1,-0.2 2,-2.2 250,-0.2 253,-0.3 0.889 58.4 173.2 53.9 42.3 75.1 -8.2 5.6 12 16 A L + 0 0 2 251,-1.8 208,-0.3 248,-0.1 2,-0.3 -0.429 46.3 82.4 -83.2 66.1 76.1 -10.1 8.8 13 17 A R - 0 0 2 -2,-2.2 253,-0.1 -3,-0.1 252,-0.1 -0.970 69.6-139.8-156.3 160.4 72.9 -9.2 10.6 14 18 A L S > S+ 0 0 4 -2,-0.3 3,-0.6 251,-0.2 7,-0.1 0.770 80.5 85.0 -92.0 -35.8 69.3 -10.3 10.9 15 19 A H T 3 S+ 0 0 12 1,-0.2 157,-0.2 250,-0.2 158,-0.2 -0.337 101.9 2.9 -70.2 149.3 67.8 -6.8 11.0 16 20 A D T 3 S+ 0 0 0 155,-1.7 -1,-0.2 156,-0.2 253,-0.1 0.876 88.7 137.7 40.0 57.8 67.0 -4.9 7.7 17 21 A N <> + 0 0 0 -3,-0.6 4,-2.8 155,-0.5 5,-0.2 -0.781 26.7 176.8-131.7 83.3 68.1 -7.9 5.6 18 22 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 81.0 56.3 -60.7 -34.6 65.6 -8.3 2.7 19 23 A A H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 111,-0.1 0.918 114.0 39.3 -61.6 -44.4 67.6 -11.2 1.2 20 24 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.919 114.7 52.9 -70.5 -45.1 67.4 -13.2 4.4 21 25 A S H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.834 102.1 60.2 -59.6 -35.7 63.8 -12.1 5.2 22 26 A H H X S+ 0 0 45 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.891 107.0 46.5 -59.1 -40.3 62.8 -13.3 1.7 23 27 A I H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.899 114.1 47.1 -67.5 -42.8 64.0 -16.8 2.6 24 28 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.879 114.0 45.0 -72.6 -38.7 62.3 -16.8 6.0 25 29 A T H X S+ 0 0 59 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.866 111.8 54.2 -73.1 -34.6 58.9 -15.5 4.8 26 30 A A H X S+ 0 0 26 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.910 110.0 47.4 -62.9 -42.2 59.0 -18.0 1.9 27 31 A A H >< S+ 0 0 3 -4,-2.0 3,-0.9 1,-0.2 6,-0.3 0.943 114.1 45.1 -64.0 -49.8 59.5 -20.9 4.3 28 32 A N H 3< S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 105.6 63.0 -68.3 -23.3 56.7 -19.8 6.6 29 33 A A H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.735 117.8 27.6 -69.7 -24.6 54.4 -19.2 3.6 30 34 A A S X< S- 0 0 29 -3,-0.9 3,-2.0 -4,-0.8 4,-0.5 -0.564 88.3-162.1-134.3 70.2 54.7 -22.9 2.8 31 35 A P T 3 S+ 0 0 67 0, 0.0 148,-0.1 0, 0.0 -3,-0.1 -0.232 75.0 20.7 -61.9 141.1 55.3 -24.7 6.1 32 36 A G T 3 S+ 0 0 39 147,-0.5 -4,-0.1 146,-0.4 147,-0.1 0.298 104.7 89.7 88.4 -8.6 56.7 -28.2 5.7 33 37 A R S < S+ 0 0 140 -3,-2.0 -31,-1.5 -6,-0.3 2,-0.3 0.795 83.8 34.7 -92.0 -31.5 57.9 -27.6 2.2 34 38 A Y E -a 2 0A 20 -4,-0.5 2,-0.4 -7,-0.2 -2,-0.3 -0.882 56.6-141.0-128.5 153.5 61.4 -26.3 2.7 35 39 A F E -a 3 0A 28 -33,-2.4 -31,-3.0 -2,-0.3 2,-0.5 -0.875 27.5-140.1 -99.8 146.6 64.6 -26.5 4.8 36 40 A V E -a 4 0A 4 -2,-0.4 -31,-0.2 -33,-0.2 -33,-0.0 -0.934 18.2-176.7-109.3 130.9 66.4 -23.2 5.5 37 41 A R E -a 5 0A 4 -33,-2.7 -31,-1.5 -2,-0.5 2,-0.6 -0.876 6.9-168.5-128.5 96.2 70.2 -22.9 5.4 38 42 A P E -a 6 0A 1 0, 0.0 41,-2.7 0, 0.0 2,-0.3 -0.794 27.3-172.6 -79.3 118.3 71.7 -19.6 6.3 39 43 A I E -ac 7 79A 0 -33,-3.1 -31,-3.1 -2,-0.6 2,-0.4 -0.839 31.4-167.5-122.3 151.7 75.4 -20.0 5.3 40 44 A F E -ac 8 80A 22 39,-2.3 41,-2.0 -2,-0.3 2,-0.6 -0.994 23.1-142.4-127.5 129.2 78.7 -18.3 5.5 41 45 A I E - c 0 81A 21 -33,-0.6 2,-0.6 -2,-0.4 41,-0.2 -0.841 16.9-169.6-100.0 122.2 81.5 -19.7 3.3 42 46 A L E - c 0 82A 10 39,-2.3 41,-2.4 -2,-0.6 -2,-0.0 -0.937 14.3-152.4-114.4 115.2 84.9 -19.6 4.8 43 47 A D > - 0 0 47 -2,-0.6 3,-0.9 39,-0.2 4,-0.1 -0.779 7.6-161.7 -82.4 109.7 88.1 -20.4 2.8 44 48 A P G > S+ 0 0 63 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.587 79.8 74.3 -73.7 -7.3 90.5 -21.8 5.4 45 49 A G G > S+ 0 0 45 1,-0.2 3,-0.8 2,-0.1 -2,-0.0 0.869 91.2 53.8 -66.4 -38.8 93.5 -21.2 3.1 46 50 A I G X S+ 0 0 71 -3,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.369 75.3 99.4 -83.9 6.4 93.5 -17.4 3.6 47 51 A L G < S+ 0 0 12 -3,-0.7 159,-0.5 1,-0.3 -1,-0.2 0.713 92.8 38.5 -67.1 -18.4 93.6 -17.6 7.5 48 52 A D G < S+ 0 0 92 -3,-0.8 -1,-0.3 -4,-0.1 2,-0.3 0.224 85.0 125.8-113.5 9.8 97.4 -16.9 7.3 49 53 A W X - 0 0 134 -3,-1.4 3,-1.3 1,-0.1 -3,-0.0 -0.559 62.5-135.3 -67.5 132.6 97.2 -14.4 4.4 50 54 A M T 3 S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.664 92.6 74.6 -73.5 -17.9 99.0 -11.3 5.6 51 55 A Q T 3 S+ 0 0 12 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.406 89.9 63.3 -79.5 2.1 96.4 -8.7 4.4 52 56 A V S < S- 0 0 24 -3,-1.3 337,-0.2 -6,-0.1 338,-0.1 -0.972 81.1-150.6-122.7 113.0 94.0 -9.7 7.2 53 57 A G > - 0 0 5 336,-1.9 4,-1.7 -2,-0.5 3,-0.3 -0.314 27.9-103.7 -77.9 167.5 95.4 -8.9 10.6 54 58 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 116.7 59.2 -63.0 -37.5 94.6 -10.8 13.8 55 59 A N H > S+ 0 0 9 155,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 106.7 47.0 -60.6 -41.3 92.3 -8.1 15.2 56 60 A R H > S+ 0 0 14 333,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.894 109.0 54.4 -71.9 -35.4 90.0 -8.3 12.1 57 61 A W H X S+ 0 0 15 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.936 108.3 50.1 -57.5 -45.5 89.9 -12.1 12.3 58 62 A R H X S+ 0 0 28 -4,-2.3 4,-2.7 1,-0.2 160,-0.2 0.899 108.3 52.8 -59.2 -42.2 88.8 -11.8 15.9 59 63 A F H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.922 111.6 45.6 -59.7 -46.3 86.0 -9.4 14.8 60 64 A L H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.931 111.0 53.1 -62.7 -45.3 84.8 -11.8 12.2 61 65 A Q H X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.932 113.1 44.1 -53.0 -47.5 85.0 -14.7 14.7 62 66 A Q H X S+ 0 0 42 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.876 112.2 52.5 -66.4 -39.4 82.8 -12.7 17.1 63 67 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 157,-0.3 0.923 108.8 49.5 -63.0 -45.8 80.4 -11.6 14.4 64 68 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.911 110.4 50.7 -62.7 -40.8 79.9 -15.2 13.2 65 69 A E H X S+ 0 0 95 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.899 112.1 47.0 -62.4 -42.0 79.2 -16.3 16.8 66 70 A D H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 110.4 52.4 -65.3 -42.3 76.6 -13.5 17.3 67 71 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 109.8 48.7 -62.2 -43.9 75.0 -14.3 14.0 68 72 A D H X S+ 0 0 23 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.930 110.3 51.8 -58.4 -46.9 74.6 -17.9 15.0 69 73 A N H X S+ 0 0 60 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.897 112.6 45.0 -58.2 -44.0 73.1 -16.9 18.4 70 74 A Q H X S+ 0 0 29 -4,-2.5 4,-0.6 2,-0.2 3,-0.4 0.910 111.7 51.0 -69.6 -42.8 70.6 -14.7 16.7 71 75 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.1 0.855 103.4 61.4 -60.5 -34.5 69.6 -17.3 14.1 72 76 A R H ><5S+ 0 0 131 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.887 96.6 58.9 -58.7 -36.3 69.1 -19.8 16.9 73 77 A K H 3<5S+ 0 0 129 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.698 103.0 53.4 -66.4 -20.6 66.4 -17.5 18.3 74 78 A L T <<5S- 0 0 14 -3,-1.1 103,-2.5 -4,-0.6 -1,-0.3 0.148 126.3-101.6 -96.9 18.0 64.5 -17.9 15.0 75 79 A N T < 5S+ 0 0 82 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.718 97.8 86.9 64.2 26.3 64.7 -21.8 15.2 76 80 A S < - 0 0 19 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.282 60.4-152.4-123.9-150.9 67.6 -21.8 12.8 77 81 A R - 0 0 64 -2,-0.1 2,-0.4 -3,-0.1 -9,-0.1 -0.934 27.4 -89.8-173.7 172.6 71.4 -21.5 13.0 78 82 A L - 0 0 0 -2,-0.3 2,-0.6 -14,-0.1 -39,-0.2 -0.829 28.7-153.8 -95.6 138.0 74.4 -20.4 11.0 79 83 A F E -c 39 0A 7 -41,-2.7 -39,-2.3 -2,-0.4 2,-0.8 -0.963 4.3-162.3-109.6 114.5 76.2 -22.9 8.8 80 84 A V E -c 40 0A 0 116,-2.9 2,-0.6 -2,-0.6 -39,-0.2 -0.862 11.7-163.7 -97.4 103.6 79.8 -22.0 8.2 81 85 A V E -c 41 0A 1 -41,-2.0 -39,-2.3 -2,-0.8 2,-0.4 -0.796 11.3-138.0 -95.8 120.2 80.8 -24.0 5.2 82 86 A R E +c 42 0A 74 -2,-0.6 2,-0.3 113,-0.3 -39,-0.2 -0.649 59.6 51.9 -80.0 130.3 84.6 -24.3 4.7 83 87 A G S S- 0 0 6 -41,-2.4 -2,-0.0 -2,-0.4 3,-0.0 -0.864 86.3 -55.5 145.5-172.0 85.7 -24.0 1.1 84 88 A K >> - 0 0 109 -2,-0.3 4,-3.2 1,-0.1 3,-1.1 -0.827 42.9-122.4-101.7 139.8 85.6 -21.9 -2.0 85 89 A P H 3> S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.833 109.8 62.7 -45.0 -39.7 82.3 -20.9 -3.7 86 90 A A H 34 S+ 0 0 87 1,-0.2 -3,-0.0 2,-0.2 28,-0.0 0.833 117.3 27.2 -61.1 -36.5 83.4 -22.6 -7.0 87 91 A E H <> S+ 0 0 123 -3,-1.1 4,-1.3 2,-0.1 -1,-0.2 0.827 121.1 54.8 -89.5 -40.3 83.6 -26.0 -5.3 88 92 A V H X S+ 0 0 4 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.925 103.1 51.8 -62.7 -50.8 81.1 -25.5 -2.5 89 93 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.905 106.1 51.4 -62.2 -47.5 78.0 -24.5 -4.5 90 94 A P H > S+ 0 0 44 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.923 115.4 45.9 -51.6 -44.1 77.9 -27.3 -7.1 91 95 A R H X S+ 0 0 70 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.971 118.1 38.8 -62.5 -56.5 78.1 -29.8 -4.1 92 96 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 6,-0.3 0.815 108.8 60.8 -73.0 -29.6 75.5 -28.1 -1.9 93 97 A F H <>S+ 0 0 5 -4,-3.0 5,-1.9 -5,-0.3 4,-0.5 0.943 115.9 36.4 -57.5 -45.0 73.1 -27.2 -4.8 94 98 A K H ><5S+ 0 0 151 -4,-1.4 3,-0.8 -5,-0.3 -2,-0.2 0.973 121.3 41.9 -69.4 -60.5 72.9 -31.0 -5.4 95 99 A S H 3<5S+ 0 0 44 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.849 121.3 40.6 -64.5 -35.4 73.0 -32.5 -1.9 96 100 A W T 3<5S- 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -93,-0.2 0.562 102.8-128.6 -87.0 -6.6 70.7 -29.9 -0.3 97 101 A R T < 5 - 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0 0 2 -103,-2.5 3,-0.3 -3,-0.1 2,-0.3 -0.611 34.1-149.7 -75.7 130.8 60.7 -20.4 11.5 178 182 A K S S+ 0 0 120 -2,-0.3 -146,-0.4 1,-0.2 -104,-0.0 -0.792 72.5 2.2-100.0 141.8 57.6 -22.6 12.0 179 183 A N S S+ 0 0 113 -2,-0.3 -147,-0.5 1,-0.2 -1,-0.2 0.908 87.8 146.2 50.7 52.0 57.6 -26.4 11.5 180 184 A M - 0 0 34 -3,-0.3 -1,-0.2 -149,-0.1 -3,-0.1 -0.832 25.8-175.0-124.7 87.5 61.4 -26.4 10.7 181 185 A P - 0 0 66 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.329 48.3 -78.0 -66.2 165.9 63.2 -29.5 11.9 182 186 A T - 0 0 126 1,-0.1 3,-0.1 -147,-0.1 -106,-0.0 -0.484 57.8-105.4 -63.9 135.3 67.0 -29.5 11.5 183 187 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.232 44.2 -92.7 -55.2 151.4 67.8 -30.3 7.9 184 188 A P - 0 0 89 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.387 51.0 -93.9 -65.9 151.2 69.1 -33.9 7.3 185 189 A K - 0 0 123 -3,-0.1 2,-0.1 4,-0.1 8,-0.0 -0.415 36.3-143.4 -67.2 134.7 72.9 -34.2 7.4 186 190 A D > - 0 0 7 -2,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.270 39.5 -84.6 -81.6 180.0 74.7 -34.0 4.2 187 191 A E H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.853 130.9 48.8 -53.7 -41.6 77.8 -36.2 3.4 188 192 A V H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 113.0 45.7 -67.7 -48.2 80.1 -33.7 5.1 189 193 A E H 4 S+ 0 0 14 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.803 106.5 60.4 -65.3 -31.7 78.0 -33.5 8.3 190 194 A Q H < S+ 0 0 137 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.887 109.2 43.2 -63.4 -38.9 77.6 -37.3 8.4 191 195 A K H < S+ 0 0 164 -4,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.843 135.2 12.4 -71.5 -35.7 81.4 -37.5 8.7 192 196 A D >< - 0 0 85 -4,-1.7 3,-2.3 -5,-0.1 -1,-0.3 -0.845 61.4-160.0-149.4 104.1 81.7 -34.7 11.2 193 197 A S T 3 S+ 0 0 87 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.776 96.8 52.6 -58.4 -26.5 78.6 -33.3 13.0 194 198 A A T > S+ 0 0 41 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 0.328 73.9 113.3 -88.4 5.7 80.5 -30.1 13.8 195 199 A A T < S+ 0 0 18 -3,-2.3 -113,-0.3 1,-0.3 -1,-0.2 0.755 84.5 35.1 -52.5 -34.1 81.6 -29.4 10.2 196 200 A Y T 3 S+ 0 0 4 -3,-0.4 -116,-2.9 -4,-0.2 -1,-0.3 0.198 89.7 124.2-107.9 14.0 79.5 -26.3 9.8 197 201 A D S < S- 0 0 70 -3,-2.2 3,-0.1 -118,-0.2 -118,-0.1 -0.315 74.9 -81.6 -72.0 157.1 79.8 -24.9 13.4 198 202 A C - 0 0 22 -120,-0.1 -1,-0.1 1,-0.1 -137,-0.0 -0.329 54.1-104.1 -56.5 135.7 81.2 -21.4 14.0 199 203 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -134,-0.1 -0.300 31.9-129.2 -64.8 146.0 84.9 -21.2 14.0 200 204 A T > - 0 0 65 1,-0.1 4,-1.6 -3,-0.1 5,-0.2 -0.377 27.0-104.4 -81.1 168.9 86.8 -20.9 17.3 201 205 A M H > S+ 0 0 64 1,-0.2 4,-3.5 2,-0.2 3,-0.4 0.951 124.3 52.2 -57.5 -47.4 89.4 -18.3 18.1 202 206 A K H 4 S+ 0 0 182 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.885 110.7 48.0 -56.5 -41.6 92.1 -20.9 17.7 203 207 A Q H 4 S+ 0 0 96 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.801 122.9 31.1 -69.5 -31.0 90.7 -21.9 14.3 204 208 A L H < S+ 0 0 0 -4,-1.6 2,-0.8 -3,-0.4 -2,-0.2 0.776 111.0 60.8-103.6 -31.8 90.4 -18.4 12.9 205 209 A V < + 0 0 9 -4,-3.5 -1,-0.2 -5,-0.2 -157,-0.1 -0.823 51.1 168.8-103.3 97.2 93.3 -16.4 14.6 206 210 A K S S+ 0 0 95 -2,-0.8 -1,-0.2 -159,-0.5 3,-0.1 0.735 78.1 45.9 -77.0 -21.8 96.6 -18.1 13.6 207 211 A R > + 0 0 87 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 -0.534 63.9 161.9-123.3 66.0 98.7 -15.2 14.9 208 212 A P G > + 0 0 73 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.644 67.9 71.5 -66.4 -18.9 97.1 -14.4 18.4 209 213 A E G 3 S+ 0 0 150 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.691 92.2 61.2 -66.8 -19.5 100.2 -12.5 19.6 210 214 A E G < S+ 0 0 76 -3,-2.2 -155,-0.3 2,-0.0 2,-0.3 0.471 81.6 108.0 -82.6 -5.4 99.1 -9.8 17.1 211 215 A L < - 0 0 44 -3,-1.4 145,-0.1 -157,-0.1 3,-0.1 -0.578 49.9-170.6 -72.0 134.9 95.7 -9.3 19.0 212 216 A G - 0 0 20 143,-0.3 144,-0.1 -2,-0.3 143,-0.1 -0.343 47.0 -40.5-106.3-164.5 95.4 -6.1 21.1 213 217 A P - 0 0 71 0, 0.0 2,-2.3 0, 0.0 3,-0.2 -0.371 58.6-120.7 -64.1 139.2 92.7 -5.1 23.6 214 218 A N + 0 0 66 1,-0.2 142,-0.1 -3,-0.1 -3,-0.0 -0.395 54.9 150.7 -81.3 65.8 89.2 -6.2 22.4 215 219 A K + 0 0 57 -2,-2.3 -1,-0.2 1,-0.2 141,-0.0 0.739 67.9 38.6 -69.2 -27.1 87.8 -2.6 22.4 216 220 A F S S- 0 0 7 -3,-0.2 -1,-0.2 140,-0.2 6,-0.0 -0.767 80.0-156.5-133.2 81.3 85.2 -3.2 19.6 217 221 A P - 0 0 43 0, 0.0 -158,-0.1 0, 0.0 -2,-0.0 -0.273 23.5-112.0 -59.4 143.6 83.6 -6.7 19.9 218 222 A G + 0 0 10 -160,-0.2 4,-0.3 4,-0.1 -158,-0.1 -0.239 62.3 61.2 -72.3 161.9 82.1 -8.1 16.7 219 223 A G S > S- 0 0 0 2,-0.1 4,-2.2 1,-0.1 -156,-0.1 0.026 81.0 -83.5 111.9 157.5 78.5 -8.7 15.8 220 224 A E H > S+ 0 0 9 -208,-0.3 4,-2.5 -157,-0.3 5,-0.3 0.842 119.3 59.6 -58.3 -40.9 75.1 -7.2 15.2 221 225 A T H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.953 110.6 41.0 -58.4 -48.4 74.2 -7.2 18.9 222 226 A E H > S+ 0 0 36 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 111.8 57.8 -65.4 -39.6 77.2 -5.0 19.8 223 227 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 110.1 42.6 -52.8 -50.6 76.5 -2.9 16.7 224 228 A L H X S+ 0 0 51 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.867 114.8 50.3 -68.7 -38.1 73.0 -2.0 17.8 225 229 A R H X S+ 0 0 115 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.921 113.1 46.6 -62.3 -47.1 74.1 -1.5 21.4 226 230 A R H X S+ 0 0 42 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.911 113.7 47.5 -64.3 -45.2 76.8 0.9 20.3 227 231 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.945 111.7 50.2 -59.4 -49.6 74.5 2.8 17.9 228 232 A E H X S+ 0 0 86 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.898 110.1 50.5 -60.5 -38.0 71.8 3.2 20.5 229 233 A E H < S+ 0 0 116 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.889 112.2 48.0 -65.2 -39.2 74.4 4.5 23.0 230 234 A S H >< S+ 0 0 24 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.901 111.4 49.9 -63.4 -41.9 75.6 7.0 20.4 231 235 A L H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.601 89.1 83.5 -76.3 -13.2 72.0 8.1 19.6 232 236 A K T 3< S+ 0 0 162 -4,-0.9 2,-1.3 -3,-0.3 -1,-0.2 0.856 82.8 60.8 -60.4 -39.9 71.1 8.7 23.2 233 237 A D <> + 0 0 91 -3,-0.7 4,-2.4 -4,-0.4 -1,-0.2 -0.716 68.0 178.6 -89.9 89.6 72.6 12.2 23.3 234 238 A E H > S+ 0 0 51 -2,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.792 76.8 56.2 -68.8 -26.4 70.5 13.7 20.7 235 239 A I H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 108.4 47.3 -67.8 -47.5 72.2 17.2 21.0 236 240 A W H > S+ 0 0 88 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.938 115.8 46.2 -56.3 -47.6 75.6 15.6 20.3 237 241 A V H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.2 55,-0.5 0.958 114.1 46.5 -61.0 -52.3 74.1 13.8 17.3 238 242 A A H 3< S+ 0 0 0 -4,-2.9 48,-2.7 1,-0.2 -1,-0.2 0.860 117.9 41.2 -63.0 -37.6 72.2 16.8 15.9 239 243 A R H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 46,-0.3 -2,-0.2 0.354 82.9 141.1 -93.7 5.5 75.2 19.2 16.3 240 244 A F << + 0 0 7 -3,-1.1 2,-0.4 -4,-0.5 52,-0.2 -0.242 24.0 178.0 -51.5 125.4 77.9 16.7 15.1 241 245 A E > - 0 0 88 1,-0.1 3,-2.3 50,-0.1 4,-0.2 -0.932 21.2-150.5-130.6 111.5 80.5 18.3 12.8 242 246 A K G > S+ 0 0 38 48,-2.4 3,-2.2 -2,-0.4 -1,-0.1 0.857 93.7 58.2 -49.0 -47.5 83.3 15.9 11.7 243 247 A P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 47,-0.0 0.686 103.0 55.3 -58.2 -18.8 86.0 18.5 11.5 244 248 A N G < S+ 0 0 126 -3,-2.3 2,-0.3 2,-0.1 -2,-0.2 0.322 84.9 100.8 -97.8 7.5 85.5 19.5 15.1 245 249 A T S < S- 0 0 15 -3,-2.2 117,-0.1 -4,-0.2 9,-0.1 -0.730 77.7-114.4 -95.0 141.7 86.1 15.9 16.5 246 250 A A - 0 0 19 -2,-0.3 7,-0.5 1,-0.1 3,-0.3 -0.507 12.9-155.9 -84.2 140.1 89.5 15.2 17.9 247 251 A P S S+ 0 0 7 0, 0.0 113,-0.5 0, 0.0 -1,-0.1 0.682 93.9 38.6 -76.5 -19.6 92.0 12.7 16.3 248 252 A N S S+ 0 0 3 177,-0.1 186,-0.3 111,-0.1 2,-0.2 -0.032 72.3 131.3-133.3 25.8 93.8 12.1 19.6 249 253 A S - 0 0 41 -3,-0.3 4,-0.1 1,-0.1 180,-0.1 -0.583 63.4-126.9 -70.6 144.0 91.2 12.0 22.4 250 254 A L S S+ 0 0 70 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.894 100.0 48.4 -67.0 -36.8 92.0 8.9 24.4 251 255 A E S S- 0 0 139 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 -0.827 112.3 -88.5 -96.1 143.4 88.3 7.8 23.9 252 256 A P - 0 0 34 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.195 27.3-158.4 -52.6 134.3 86.8 8.0 20.4 253 257 A S S S+ 0 0 27 -7,-0.5 2,-0.2 -4,-0.1 -3,-0.0 0.503 77.7 51.6 -89.5 -8.6 85.3 11.4 19.5 254 258 A T S S- 0 0 23 -8,-0.1 106,-0.0 -9,-0.1 -8,-0.0 -0.473 102.4 -89.9-118.5-170.6 83.2 9.7 16.8 255 259 A T - 0 0 16 -2,-0.2 -25,-0.1 1,-0.0 0, 0.0 0.719 35.3-145.3 -79.7 -21.2 80.8 6.8 16.8 256 260 A V + 0 0 3 1,-0.1 4,-0.2 3,-0.0 -30,-0.1 0.863 58.6 130.4 46.2 43.7 83.1 3.9 15.9 257 261 A L > + 0 0 1 1,-0.1 4,-2.6 2,-0.1 3,-0.5 0.534 39.3 96.9 -90.5 -7.4 80.3 2.3 13.9 258 262 A S H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 80.0 49.4 -55.9 -41.9 82.6 1.8 10.9 259 263 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.3 0.897 113.7 47.5 -65.2 -35.4 83.5 -1.8 11.5 260 264 A Y H >>S+ 0 0 0 -3,-0.5 6,-1.7 -4,-0.2 5,-1.4 0.891 114.0 46.5 -69.6 -40.7 79.9 -2.7 12.1 261 265 A L H <5S+ 0 0 13 -4,-2.6 -1,-0.2 4,-0.2 -250,-0.2 0.884 111.1 53.4 -68.8 -38.6 78.9 -0.8 8.9 262 266 A K H <5S+ 0 0 26 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.910 115.9 38.1 -59.1 -46.4 81.7 -2.5 6.9 263 267 A F H <5S- 0 0 19 -4,-2.0 -251,-1.8 -5,-0.2 -1,-0.2 0.634 111.6-116.8 -81.5 -14.1 80.7 -6.0 8.0 264 268 A G T <5S+ 0 0 0 -4,-1.1 -3,-0.2 -253,-0.3 -4,-0.1 0.614 78.1 129.3 80.9 12.5 76.9 -5.3 7.7 265 269 A C S - 0 0 0 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.653 7.3-152.3 -74.0 124.2 72.4 -1.5 8.5 268 272 A A H > S+ 0 0 2 -2,-0.5 4,-2.7 -134,-0.3 -1,-0.2 0.822 98.9 55.4 -63.4 -31.9 73.3 1.8 7.1 269 273 A R H > S+ 0 0 15 -135,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.888 108.2 47.0 -70.7 -40.7 69.7 2.3 6.2 270 274 A L H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.921 113.4 48.1 -62.0 -46.6 68.6 1.8 9.8 271 275 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.931 111.7 50.7 -61.6 -45.6 71.3 4.1 11.0 272 276 A N H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.915 110.4 49.8 -53.8 -46.2 70.2 6.7 8.4 273 277 A Q H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.918 109.6 50.2 -63.9 -44.6 66.6 6.4 9.5 274 278 A K H X S+ 0 0 54 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.859 111.2 48.9 -61.5 -39.1 67.4 6.8 13.2 275 279 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.913 107.4 54.6 -69.5 -44.4 69.4 10.0 12.5 276 280 A K H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 106.4 52.4 -53.6 -43.0 66.7 11.5 10.4 277 281 A E H X S+ 0 0 73 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.875 111.6 46.7 -61.2 -39.5 64.2 11.0 13.3 278 282 A I H >X S+ 0 0 3 -4,-1.4 4,-1.1 2,-0.2 3,-0.6 0.928 108.4 53.8 -70.4 -44.3 66.7 12.9 15.6 279 283 A I H >< S+ 0 0 37 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.889 105.8 54.4 -60.1 -40.2 67.3 15.7 13.2 280 284 A K H 3< S+ 0 0 176 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.816 111.5 46.1 -58.6 -33.7 63.5 16.3 12.9 281 285 A R H << S+ 0 0 131 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.621 104.1 68.1 -82.7 -17.5 63.4 16.6 16.8 282 286 A Q << - 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