==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-03 1QX0 . COMPND 2 MOLECULE: DNA OLIGONUCLEOTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.GUASCH,M.LUCAS,G.MONCALIAN,M.CABEZAS,R.PREZ-LUQUE, . 289 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 16.3 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 . 3 1.0 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 . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 2 0 1 0 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 1 3 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 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 1 A X 0 0 116 0, 0.0 85,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.8 30.8 12.6 43.6 2 2 A L E +A 85 0A 16 83,-0.2 2,-0.3 2,-0.0 83,-0.2 -0.984 360.0 172.4-127.1 123.8 32.0 13.5 47.1 3 3 A S E -A 84 0A 54 81,-1.7 81,-2.4 -2,-0.4 2,-0.4 -0.920 15.3-149.2-123.2 158.9 31.5 16.9 48.7 4 4 A H E -A 83 0A 76 -2,-0.3 2,-0.3 79,-0.2 79,-0.2 -0.909 9.0-173.5-118.3 152.2 32.1 18.1 52.2 5 5 A X E -A 82 0A 77 77,-1.9 77,-2.5 -2,-0.4 2,-0.2 -0.888 23.9-133.4-141.0 118.9 30.4 20.8 54.2 6 6 A V E -A 81 0A 43 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.491 30.1-140.7 -57.7 127.0 31.7 22.0 57.6 7 7 A L E +A 80 0A 0 73,-2.7 72,-2.3 -2,-0.2 73,-1.2 -0.838 23.5 178.9-101.4 132.3 28.6 22.0 59.9 8 8 A T E > -A 78 0A 14 -2,-0.4 3,-1.9 70,-0.3 4,-0.4 -0.637 48.3 -80.7-118.6-179.9 27.9 24.8 62.5 9 9 A R G > S+ 0 0 110 68,-1.1 3,-1.4 1,-0.3 4,-0.2 0.824 126.3 57.5 -49.9 -42.3 25.2 25.7 65.0 10 10 A Q G 3 S+ 0 0 141 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.715 104.7 53.6 -62.7 -21.8 23.0 27.2 62.3 11 11 A D G <> S+ 0 0 26 -3,-1.9 4,-2.3 1,-0.2 3,-0.4 0.444 76.5 98.9 -91.4 -1.8 23.1 23.9 60.4 12 12 A I H <> S+ 0 0 34 -3,-1.4 4,-1.4 -4,-0.4 -1,-0.2 0.802 79.1 58.6 -58.4 -26.1 21.9 21.8 63.4 13 13 A G H > S+ 0 0 43 -3,-0.4 4,-0.7 -4,-0.2 -1,-0.2 0.936 111.2 36.4 -66.7 -48.3 18.4 21.9 62.0 14 14 A R H >4 S+ 0 0 91 -3,-0.4 3,-0.8 -4,-0.2 4,-0.2 0.914 112.2 58.9 -76.5 -40.4 19.1 20.3 58.6 15 15 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.870 110.5 43.7 -51.8 -42.2 21.7 17.9 60.0 16 16 A A H 3< S+ 0 0 9 -4,-1.4 3,-0.4 -5,-0.3 -1,-0.3 0.626 107.1 61.2 -81.2 -15.1 19.0 16.4 62.3 17 17 A S T X< + 0 0 39 -3,-0.8 3,-2.3 -4,-0.7 4,-0.5 0.274 66.3 106.5 -94.1 9.6 16.5 16.4 59.5 18 18 A Y T < S+ 0 0 24 -3,-0.8 -1,-0.2 1,-0.3 142,-0.1 0.432 73.9 66.7 -67.4 4.0 18.6 14.0 57.4 19 19 A Y T 3 S+ 0 0 66 -3,-0.4 4,-0.3 1,-0.1 -1,-0.3 0.710 84.0 75.9 -80.4 -28.6 15.8 11.6 58.5 20 20 A E S X S+ 0 0 153 -3,-2.3 2,-1.9 1,-0.2 3,-1.0 0.895 88.4 49.9 -63.6 -54.3 13.2 13.5 56.5 21 21 A D T 3 S+ 0 0 38 -4,-0.5 -1,-0.2 1,-0.2 127,-0.2 -0.598 108.7 59.6 -78.8 78.9 13.9 12.4 52.9 22 22 A G T 3 S+ 0 0 18 -2,-1.9 4,-0.3 125,-0.1 -1,-0.2 0.365 76.9 75.6-175.9 -21.9 13.9 8.7 54.0 23 23 A A S < S+ 0 0 93 -3,-1.0 3,-0.3 -4,-0.3 -2,-0.1 0.848 108.5 37.7 -74.5 -35.7 10.6 7.8 55.6 24 24 A D S S+ 0 0 90 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.415 90.4 108.1 -89.4 -1.2 9.0 7.6 52.1 25 25 A D S S- 0 0 1 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.768 73.0-138.0 -54.4 -42.9 12.2 6.1 50.5 26 26 A Y 0 0 141 1,-0.4 -1,-0.1 -4,-0.3 -3,-0.1 0.377 360.0 360.0 90.1 -4.3 11.0 2.5 49.9 27 27 A Y 0 0 92 -5,-0.2 -1,-0.4 77,-0.0 3,-0.2 -0.911 360.0 360.0-126.8 360.0 14.4 1.1 51.1 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 32 A D 0 0 108 0, 0.0 117,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 66.4 18.3 0.5 56.7 30 33 A A + 0 0 25 -3,-0.2 116,-2.8 -8,-0.1 2,-0.4 0.695 360.0 53.3 -71.9 -23.7 18.5 4.1 55.7 31 34 A S E +B 145 0A 15 114,-0.2 2,-0.3 -9,-0.1 114,-0.2 -0.948 68.6 163.6-109.3 137.8 20.1 5.3 58.9 32 35 A E E -B 144 0A 74 112,-1.9 112,-2.8 -2,-0.4 14,-0.2 -0.970 32.1-129.9-156.0 136.7 23.3 3.7 60.2 33 36 A W E -B 143 0A 16 12,-2.6 2,-0.3 -2,-0.3 12,-0.3 -0.550 29.0-178.2 -74.2 144.8 26.1 4.4 62.7 34 37 A Q E +B 142 0A 28 108,-2.4 108,-2.4 -2,-0.2 4,-0.1 -0.987 27.0 62.4-141.9 147.7 29.7 4.0 61.6 35 38 A G S > S- 0 0 12 -2,-0.3 4,-2.7 106,-0.2 5,-0.2 -0.030 71.7-102.4 124.4 145.7 33.1 4.3 63.2 36 39 A K H > S+ 0 0 131 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 125.1 54.6 -56.5 -40.0 35.4 3.1 65.9 37 40 A G H > S+ 0 0 0 103,-1.0 4,-1.2 2,-0.2 104,-0.3 0.881 107.9 48.4 -59.7 -41.2 34.3 6.2 67.8 38 41 A A H 4>S+ 0 0 1 102,-1.1 5,-2.8 2,-0.2 3,-0.3 0.909 112.0 49.4 -62.3 -45.1 30.7 5.1 67.4 39 42 A E H ><5S+ 0 0 158 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.919 108.1 53.8 -58.9 -47.3 31.6 1.6 68.6 40 43 A E H 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.8 49.9 -55.5 -33.9 33.4 3.0 71.6 41 44 A L T 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.325 119.6-108.5 -92.4 3.7 30.3 4.9 72.5 42 45 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.600 70.6 146.6 79.0 14.4 28.0 1.9 72.2 43 46 A L < + 0 0 17 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.736 15.8 154.2 -91.0 121.5 26.4 3.2 69.0 44 47 A S - 0 0 107 -2,-0.5 2,-0.1 2,-0.2 -10,-0.1 -0.999 43.8 -12.0-150.0 145.8 25.4 0.5 66.5 45 48 A G S S+ 0 0 28 -2,-0.3 -12,-2.6 -12,-0.3 3,-0.1 -0.432 108.8 31.7 71.2-140.6 23.0 -0.0 63.7 46 49 A E S S- 0 0 143 -14,-0.2 2,-0.3 -2,-0.1 -2,-0.2 -0.175 86.6-114.2 -54.6 136.3 20.1 2.4 63.2 47 50 A V - 0 0 3 97,-0.2 2,-0.7 -4,-0.1 -1,-0.1 -0.584 22.4-134.3 -76.7 127.6 20.9 6.0 64.2 48 51 A D > - 0 0 81 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.786 7.6-150.2 -86.9 117.3 18.9 7.2 67.1 49 52 A S H > S+ 0 0 63 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.824 95.2 53.4 -53.3 -40.8 17.5 10.7 66.3 50 53 A K H > S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 112.6 42.2 -59.8 -52.1 17.5 11.7 70.0 51 54 A R H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.824 108.6 59.8 -69.1 -31.6 21.2 10.7 70.5 52 55 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.917 105.1 49.9 -60.6 -40.9 22.2 12.3 67.2 53 56 A R H X S+ 0 0 132 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.911 111.4 48.2 -63.0 -45.1 20.9 15.6 68.4 54 57 A E H <>S+ 0 0 47 -4,-1.5 5,-2.5 2,-0.2 3,-0.4 0.946 113.1 47.0 -58.3 -53.7 22.9 15.3 71.6 55 58 A L H ><5S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.3 -2,-0.2 0.916 109.2 54.0 -59.6 -45.8 26.1 14.3 69.8 56 59 A L H 3<5S+ 0 0 0 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.844 108.2 51.6 -51.3 -37.2 25.6 17.2 67.3 57 60 A A T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.268 123.1-110.8 -86.6 11.2 25.4 19.4 70.4 58 61 A G T < 5S+ 0 0 0 -3,-2.5 9,-3.1 1,-0.2 2,-0.7 0.808 71.4 142.2 64.4 30.8 28.6 17.9 71.7 59 62 A N < + 0 0 46 -5,-2.5 -1,-0.2 7,-0.2 -2,-0.1 -0.883 27.0 176.7-104.7 103.9 26.9 16.1 74.5 60 63 A I - 0 0 6 -2,-0.7 -1,-0.2 5,-0.3 -5,-0.1 0.728 25.0-164.2 -74.7 -23.7 28.5 12.7 75.0 61 64 A G + 0 0 41 3,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.328 51.7 109.2 67.5 -1.5 26.1 12.4 78.0 62 65 A E S S- 0 0 125 3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 0.984 108.6 -56.4 -68.1 -81.7 27.7 9.5 79.8 63 66 A G S S+ 0 0 78 2,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.463 110.1 102.4-124.2 -26.4 29.1 11.3 82.9 64 67 A H S S- 0 0 114 1,-0.1 -3,-0.3 -4,-0.1 3,-0.1 0.080 71.5 -97.0 -74.6 169.7 31.3 13.9 81.1 65 68 A R - 0 0 200 1,-0.2 -5,-0.3 -5,-0.1 -1,-0.1 -0.348 50.7 -79.2 -81.4 157.3 30.9 17.6 80.3 66 69 A I > - 0 0 115 -7,-0.1 3,-0.5 1,-0.1 -7,-0.2 -0.327 53.8-120.9 -54.8 130.0 29.7 19.2 77.1 67 70 A X T 3 S+ 0 0 21 -9,-3.1 -1,-0.1 1,-0.2 108,-0.1 -0.314 83.2 33.4 -69.8 154.7 32.5 19.2 74.5 68 71 A R T > + 0 0 31 1,-0.1 3,-1.7 2,-0.0 -1,-0.2 0.613 57.4 141.1 81.1 22.0 33.9 22.4 72.9 69 72 A S T < + 0 0 116 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.1 0.855 69.2 68.7 -59.6 -34.1 33.6 25.0 75.6 70 73 A A T 3 S+ 0 0 98 2,-0.0 -1,-0.3 3,-0.0 2,-0.2 0.541 71.2 119.7 -61.4 -14.1 37.0 26.4 74.4 71 74 A T S < S- 0 0 44 -3,-1.7 6,-0.1 1,-0.1 0, 0.0 -0.431 72.4-115.8 -53.4 122.5 35.3 27.6 71.2 72 75 A R > - 0 0 169 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.254 11.1-132.3 -56.2 148.3 35.8 31.3 71.0 73 76 A Q T 3 S+ 0 0 190 1,-0.2 -1,-0.1 -3,-0.1 4,-0.1 0.729 104.8 61.6 -77.6 -24.4 32.6 33.4 71.2 74 77 A D T 3 S+ 0 0 116 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.443 106.1 58.0 -79.6 1.8 33.6 35.5 68.1 75 78 A S S < S- 0 0 59 -3,-0.8 2,-0.3 0, 0.0 -4,-0.0 -0.836 92.2 -90.8-133.7 164.4 33.6 32.4 66.0 76 79 A K - 0 0 128 -2,-0.3 2,-0.2 1,-0.1 -4,-0.1 -0.615 33.4-124.9 -83.6 132.4 31.2 29.6 65.0 77 80 A E - 0 0 43 -2,-0.3 -68,-1.1 -6,-0.1 2,-0.6 -0.493 27.2-133.0 -63.6 138.0 30.8 26.4 67.0 78 81 A R E -A 8 0A 127 -70,-0.2 -70,-0.3 -2,-0.2 3,-0.1 -0.874 24.6-179.7-106.1 124.5 31.4 23.4 64.8 79 82 A I E - 0 0 0 -72,-2.3 86,-1.0 -2,-0.6 2,-0.3 0.568 57.1 -61.2-100.8 -9.8 28.9 20.5 65.1 80 83 A G E -AC 7 164A 6 -73,-1.2 -73,-2.7 84,-0.3 2,-0.4 -0.990 49.3 -80.7 160.2-164.5 30.4 18.1 62.5 81 84 A L E -AC 6 163A 2 82,-2.5 82,-3.4 -2,-0.3 2,-0.7 -0.962 28.6-151.6-140.7 114.6 31.4 17.4 59.0 82 85 A D E -AC 5 162A 2 -77,-2.5 -77,-1.9 -2,-0.4 2,-0.6 -0.785 9.8-173.3 -92.3 121.3 28.9 16.3 56.3 83 86 A L E -AC 4 161A 1 78,-3.1 78,-3.2 -2,-0.7 2,-0.7 -0.957 10.8-161.7-110.1 113.9 30.4 14.1 53.6 84 87 A T E -AC 3 160A 19 -81,-2.4 -81,-1.7 -2,-0.6 2,-0.5 -0.864 1.3-162.0-105.7 114.2 27.8 13.6 50.9 85 88 A F E -AC 2 159A 0 74,-2.8 74,-2.4 -2,-0.7 2,-0.5 -0.850 9.0-171.2 -97.9 125.9 28.4 10.7 48.5 86 89 A S E - C 0 158A 20 -85,-2.7 72,-0.2 -2,-0.5 3,-0.1 -0.960 14.6-136.9-123.6 128.1 26.4 10.8 45.3 87 90 A A - 0 0 6 70,-2.7 5,-0.1 -2,-0.5 70,-0.1 -0.396 35.7 -92.4 -72.6 153.9 26.1 8.0 42.7 88 91 A P >> - 0 0 23 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.369 43.8-108.8 -54.1 146.8 26.3 8.7 39.0 89 92 A K H 3> S+ 0 0 22 1,-0.3 4,-3.1 2,-0.2 3,-0.3 0.868 116.9 53.7 -50.1 -52.2 22.9 9.2 37.5 90 93 A S H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.816 107.6 54.4 -57.1 -31.1 22.7 5.9 35.6 91 94 A V H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.3 0.921 109.1 44.9 -70.5 -42.3 23.5 4.2 38.8 92 95 A S H X S+ 0 0 0 -4,-1.4 4,-3.2 -3,-0.3 5,-0.4 0.925 113.1 53.7 -63.7 -45.7 20.6 5.9 40.6 93 96 A L H X>S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-1.6 0.936 110.4 44.9 -51.8 -53.7 18.4 5.1 37.6 94 97 A Q H <5S+ 0 0 11 -4,-2.6 6,-0.8 1,-0.2 -1,-0.2 0.836 119.3 42.8 -63.2 -35.3 19.2 1.4 37.7 95 98 A A H <5S+ 0 0 0 -4,-1.9 5,-0.4 4,-0.2 -2,-0.2 0.885 127.3 25.5 -74.3 -42.7 18.8 1.2 41.5 96 99 A L H <5S+ 0 0 7 -4,-3.2 -3,-0.2 3,-0.2 -2,-0.2 0.639 129.0 32.1-107.6 -23.8 15.6 3.2 41.9 97 100 A V T <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.849 128.7 34.3 -97.3 -58.0 13.7 3.1 38.7 98 101 A A S > - 0 0 36 -6,-0.8 3,-1.4 -5,-0.4 4,-0.8 -0.878 15.6-173.0-113.2 99.9 17.9 -3.2 41.6 101 104 A A H 3> S+ 0 0 41 -2,-0.6 4,-1.6 1,-0.3 5,-0.1 0.710 80.2 68.3 -64.2 -25.8 18.5 -3.5 45.4 102 105 A E H 3> S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.798 94.6 57.8 -66.0 -27.3 22.1 -4.9 44.9 103 106 A I H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.894 101.5 54.8 -70.2 -38.0 23.0 -1.5 43.6 104 107 A I H X S+ 0 0 8 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.941 111.5 44.6 -54.8 -48.2 21.9 0.1 46.9 105 108 A K H X S+ 0 0 100 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.920 109.2 56.4 -65.9 -41.2 24.2 -2.3 48.7 106 109 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.921 111.6 44.2 -51.3 -45.8 26.9 -1.5 46.2 107 110 A H H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.928 111.6 51.7 -68.4 -47.1 26.6 2.1 47.1 108 111 A D H X S+ 0 0 49 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.872 110.4 48.6 -56.5 -46.2 26.4 1.5 50.8 109 112 A R H X S+ 0 0 101 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.904 109.1 52.5 -61.5 -44.3 29.6 -0.5 50.8 110 113 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.869 112.5 45.9 -64.9 -33.2 31.5 2.0 48.7 111 114 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.928 113.7 48.9 -69.1 -48.2 30.5 4.7 51.3 112 115 A A H X S+ 0 0 24 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.938 113.3 46.2 -60.4 -47.8 31.4 2.5 54.2 113 116 A R H X S+ 0 0 77 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.905 113.5 48.9 -61.4 -44.2 34.8 1.6 52.8 114 117 A T H >X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 3,-0.5 0.918 108.0 54.9 -59.5 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23.9 11.0 28.0 224 227 A Q H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 111.4 48.4 -63.4 -47.6 20.4 12.2 26.8 225 228 A Q H > S+ 0 0 21 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.927 112.3 49.7 -53.0 -49.3 18.7 9.6 29.0 226 229 A I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.920 109.8 50.7 -56.5 -46.9 20.9 10.7 31.9 227 230 A E H >< S+ 0 0 93 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.830 99.8 63.7 -67.0 -27.6 20.0 14.4 31.2 228 231 A G H 3< S+ 0 0 31 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.713 110.6 40.3 -67.6 -16.2 16.2 13.6 31.2 229 232 A F T << S+ 0 0 1 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.3 0.092 99.4 80.3-117.9 12.9 16.7 12.6 34.8 230 233 A S <> + 0 0 13 -3,-1.7 4,-1.6 1,-0.1 -1,-0.1 -0.552 46.1 151.6-117.3 70.9 19.0 15.5 35.7 231 234 A K H > S+ 0 0 81 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.925 72.9 52.3 -68.0 -48.3 16.6 18.4 36.2 232 235 A R H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 108.5 53.3 -50.7 -42.0 18.8 20.3 38.8 233 236 A T H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 109.2 48.5 -61.1 -39.4 21.7 20.1 36.2 234 237 A E H X S+ 0 0 131 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.890 110.7 50.6 -69.6 -36.5 19.4 21.6 33.6 235 238 A Q H X S+ 0 0 46 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.889 111.2 48.3 -69.5 -39.2 18.3 24.4 36.0 236 239 A I H X S+ 0 0 34 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.923 110.0 52.4 -60.4 -46.4 22.0 25.2 36.8 237 240 A A H X S+ 0 0 53 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.872 110.3 48.8 -60.7 -40.9 22.9 25.3 33.1 238 241 A E H X S+ 0 0 141 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.865 105.6 56.9 -66.0 -41.0 20.0 27.7 32.5 239 242 A W H X S+ 0 0 69 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.984 109.9 45.6 -51.6 -59.0 21.2 30.0 35.3 240 243 A Y H <>S+ 0 0 19 -4,-2.1 5,-3.1 1,-0.2 4,-0.4 0.832 113.0 49.5 -47.1 -45.6 24.6 30.3 33.7 241 244 A A H ><5S+ 0 0 73 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.880 107.7 53.3 -74.2 -38.0 23.2 30.9 30.2 242 245 A A H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.0 43.3 -60.5 -35.2 20.8 33.6 31.5 243 246 A R T 3<5S- 0 0 139 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.488 113.0-122.4 -91.0 -1.2 23.8 35.4 33.1 244 247 A G T < 5 + 0 0 65 -3,-0.7 2,-0.2 -4,-0.4 -3,-0.2 0.771 59.3 152.9 68.4 28.2 25.9 34.8 30.0 245 248 A L < - 0 0 48 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.600 47.4-127.3 -90.3 147.3 28.5 32.9 32.0 246 249 A D > - 0 0 82 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.874 11.3-146.4 -91.3 119.7 30.8 30.3 30.7 247 250 A P T 3 S+ 0 0 79 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.738 95.2 68.5 -52.6 -24.5 30.5 27.2 33.0 248 251 A N T 3 S+ 0 0 148 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.735 113.1 22.4 -70.4 -26.4 34.3 26.6 32.2 249 252 A S S < S+ 0 0 96 -3,-1.6 -1,-0.2 2,-0.0 2,-0.1 0.163 81.5 143.5-131.5 21.6 35.5 29.7 34.2 250 253 A V - 0 0 19 -4,-0.5 2,-0.0 -3,-0.4 -10,-0.0 -0.356 47.2-121.5 -67.4 140.6 32.8 30.7 36.8 251 254 A S > - 0 0 56 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.300 28.8-104.5 -68.9 161.4 34.0 32.0 40.2 252 255 A L H > S+ 0 0 138 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.914 122.9 52.9 -53.6 -47.8 32.9 30.2 43.4 253 256 A E H > S+ 0 0 164 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.940 111.5 46.6 -56.5 -46.5 30.4 33.0 44.1 254 257 A Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 113.8 48.3 -62.7 -42.6 28.9 32.5 40.6 255 258 A K H X S+ 0 0 95 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.971 113.7 45.6 -60.6 -55.2 28.8 28.7 41.0 256 259 A Q H X S+ 0 0 109 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.898 113.4 50.8 -57.4 -42.3 27.2 28.8 44.5 257 260 A A H X S+ 0 0 22 -4,-2.7 4,-2.5 -5,-0.3 5,-0.5 0.921 109.6 50.3 -58.4 -46.3 24.7 31.4 43.2 258 261 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.931 116.8 40.8 -59.9 -48.0 23.8 29.2 40.2 259 262 A K H < S+ 0 0 86 -4,-2.5 4,-0.2 2,-0.2 -2,-0.2 0.950 123.0 36.9 -64.5 -53.8 23.3 26.1 42.5 260 263 A V H >< S+ 0 0 61 -4,-3.0 3,-0.8 -5,-0.2 -3,-0.2 0.929 121.7 41.3 -70.3 -45.9 21.5 27.8 45.4 261 264 A L H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.714 103.7 65.0 -82.7 -20.0 19.3 30.4 43.5 262 265 A S T 3< S+ 0 0 15 -4,-1.2 -1,-0.2 -5,-0.5 2,-0.2 0.542 80.9 113.0 -76.2 -3.3 18.3 28.1 40.6 263 266 A R < - 0 0 95 -3,-0.8 2,-0.2 -4,-0.2 -3,-0.0 -0.476 61.6-139.7 -72.4 135.0 16.4 26.0 43.1 264 267 A A - 0 0 48 -2,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.589 25.2-105.5 -84.8 154.5 12.6 25.9 43.0 265 268 A K - 0 0 216 -2,-0.2 2,-0.4 1,-0.0 -1,-0.0 -0.767 53.3-164.5 -77.9 115.9 10.3 25.9 46.1 266 269 A K - 0 0 123 -2,-0.6 -113,-0.0 1,-0.0 -114,-0.0 -0.927 18.0-146.0-129.4 132.0 9.2 22.2 46.3 267 270 A T - 0 0 118 -2,-0.4 2,-0.2 1,-0.1 -1,-0.0 -0.033 30.4 -99.3 -70.0 170.3 6.5 20.1 48.0 268 271 A S - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.517 43.6-159.6 -79.8 162.7 6.5 16.5 49.2 269 272 A V - 0 0 61 -2,-0.2 2,-0.2 -116,-0.0 5,-0.1 -1.000 28.6 -86.7-153.7 148.9 4.9 13.8 47.0 270 273 A D > - 0 0 103 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.364 35.7-156.1 -55.2 117.2 3.4 10.3 46.9 271 274 A R H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.756 91.6 54.9 -75.4 -27.3 6.4 8.0 46.5 272 275 A E H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 112.8 45.8 -65.3 -43.1 4.5 5.1 44.9 273 276 A A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.882 109.6 53.8 -65.9 -40.9 3.2 7.7 42.4 274 277 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 105.5 53.4 -60.9 -45.6 6.7 9.1 41.8 275 278 A R H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.926 108.1 49.8 -55.6 -50.7 8.2 5.7 41.0 276 279 A A H X S+ 0 0 55 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.875 109.0 53.3 -55.9 -40.7 5.6 5.1 38.4 277 280 A E H X S+ 0 0 92 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.920 107.4 50.7 -62.9 -41.8 6.4 8.5 36.9 278 281 A W H X S+ 0 0 6 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.939 110.6 49.6 -55.5 -50.3 10.1 7.6 36.7 279 282 A Q H X S+ 0 0 71 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.915 112.8 45.3 -60.8 -43.0 9.3 4.4 34.9 280 283 A A H X S+ 0 0 59 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.911 113.8 51.2 -67.5 -38.6 7.0 6.1 32.4 281 284 A T H X S+ 0 0 34 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.930 108.5 50.6 -60.3 -47.3 9.7 8.8 32.0 282 285 A A H <>S+ 0 0 2 -4,-3.5 5,-2.4 1,-0.2 -2,-0.2 0.905 109.4 51.3 -61.3 -40.2 12.4 6.2 31.4 283 286 A K H ><5S+ 0 0 161 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.957 107.7 53.1 -57.2 -50.0 10.2 4.5 28.7 284 287 A E H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.1 49.3 -52.5 -38.5 9.7 8.0 27.1 285 288 A L T 3<5S- 0 0 48 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.375 116.1-117.6 -86.1 3.1 13.5 8.4 26.9 286 289 A G T < 5 + 0 0 54 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.670 50.0 172.7 71.1 20.3 13.9 4.9 25.4 287 290 A I < - 0 0 18 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.423 19.8-160.8 -66.4 123.2 15.9 3.5 28.3 288 291 A D - 0 0 99 -68,-0.4 2,-1.1 -2,-0.3 -1,-0.1 -0.939 6.0-166.0-102.8 112.5 16.6 -0.2 28.1 289 292 A F 0 0 45 -2,-0.7 -68,-0.1 1,-0.3 -2,-0.1 -0.381 360.0 360.0 -85.8 51.2 17.5 -1.5 31.6 290 293 A S 0 0 137 -2,-1.1 -1,-0.3 -70,-0.1 -3,-0.0 0.883 360.0 360.0 70.3 360.0 18.7 -4.7 29.9