==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-JAN-06 2FMQ . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,J.M.KRAHN,L.C.PEDERSEN, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 2 1 1 3 0 1 0 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 10 A T > 0 0 174 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 49.6 9.6 -15.2 11.6 2 11 A L T 3 + 0 0 102 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.809 360.0 30.3 -57.2 -33.5 11.5 -17.8 9.5 3 12 A N T 3> S+ 0 0 14 35,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.178 77.4 134.1-121.5 38.7 14.6 -15.7 9.9 4 13 A G H <> S+ 0 0 17 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.856 70.9 56.5 -56.4 -38.6 14.0 -14.1 13.3 5 14 A G H > S+ 0 0 35 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 110.8 43.1 -60.5 -45.8 17.5 -14.8 14.5 6 15 A I H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 114.2 49.6 -66.4 -44.9 19.0 -12.9 11.6 7 16 A T H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.872 109.4 51.1 -66.6 -36.2 16.6 -10.0 11.7 8 17 A D H X S+ 0 0 109 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.930 110.5 51.2 -64.0 -43.6 17.1 -9.5 15.5 9 18 A M H X S+ 0 0 9 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.938 111.0 45.8 -57.3 -51.3 20.9 -9.4 14.9 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 112.8 52.3 -61.2 -38.1 20.7 -6.8 12.1 11 20 A T H X S+ 0 0 59 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.874 108.0 50.0 -66.3 -37.5 18.3 -4.8 14.3 12 21 A E H X S+ 0 0 55 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.840 111.7 49.3 -69.7 -31.8 20.7 -4.9 17.2 13 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 109.7 51.7 -72.9 -38.9 23.5 -3.8 14.9 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.938 109.2 49.2 -62.7 -48.3 21.3 -0.9 13.6 15 24 A N H X S+ 0 0 69 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.876 111.1 51.7 -60.6 -33.7 20.5 0.3 17.1 16 25 A F H X>S+ 0 0 24 -4,-1.4 4,-2.3 1,-0.2 5,-1.7 0.951 109.9 47.8 -66.4 -48.7 24.3 0.1 17.9 17 26 A E H <5S+ 0 0 7 -4,-2.6 6,-3.2 3,-0.2 5,-0.5 0.840 118.0 42.6 -61.6 -34.3 25.2 2.2 14.8 18 27 A K H <5S+ 0 0 75 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.964 123.8 31.2 -77.7 -53.7 22.5 4.8 15.7 19 28 A N H <5S+ 0 0 18 -4,-2.6 -3,-0.2 -5,-0.2 84,-0.2 0.865 134.9 20.0 -74.9 -39.6 22.9 5.1 19.5 20 29 A V T <5S+ 0 0 13 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.897 131.3 34.4 -98.4 -56.0 26.6 4.5 19.9 21 30 A S S > - 0 0 29 -6,-3.2 4,-1.8 1,-0.1 3,-0.6 -0.833 28.6-176.6-116.4 86.4 26.1 6.7 12.1 24 33 A I H 3> S+ 0 0 81 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.727 78.3 56.0 -57.9 -27.7 22.5 7.1 11.0 25 34 A H H 3> S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.846 106.9 48.2 -77.3 -32.9 23.1 5.7 7.5 26 35 A K H <> S+ 0 0 115 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.869 110.8 54.2 -70.7 -35.7 24.5 2.5 8.8 27 36 A Y H X S+ 0 0 28 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.951 111.8 42.5 -61.0 -49.9 21.5 2.4 11.1 28 37 A N H X S+ 0 0 38 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.818 111.5 56.6 -67.5 -30.0 19.1 2.8 8.1 29 38 A A H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 110.1 43.6 -66.9 -47.3 21.2 0.3 6.1 30 39 A Y H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.932 113.7 50.8 -64.1 -44.7 20.8 -2.4 8.7 31 40 A R H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 109.6 51.6 -59.4 -40.8 17.1 -1.7 9.2 32 41 A K H X S+ 0 0 97 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 111.4 46.2 -61.2 -46.2 16.5 -1.9 5.5 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 22,-0.3 -2,-0.2 0.894 111.4 51.6 -64.3 -42.5 18.2 -5.3 5.2 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.912 110.9 50.2 -61.5 -41.0 16.3 -6.6 8.3 35 44 A S H X S+ 0 0 11 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.952 110.9 45.3 -64.1 -50.9 13.1 -5.5 6.7 36 45 A V H < S+ 0 0 13 -4,-2.4 4,-0.4 1,-0.2 3,-0.2 0.865 115.9 48.8 -63.4 -32.7 13.7 -7.1 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.858 103.2 61.4 -73.9 -34.6 14.8 -10.3 5.0 38 47 A A H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -36,-0.2 0.796 108.6 42.1 -62.5 -29.7 11.8 -10.3 7.3 39 48 A K T 3< S+ 0 0 118 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.494 83.9 117.1 -96.1 -4.2 9.4 -10.6 4.3 40 49 A Y < - 0 0 47 -3,-0.9 -38,-0.2 -4,-0.4 -37,-0.1 -0.513 62.8-143.7 -64.8 122.4 11.6 -13.1 2.5 41 50 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.291 72.1 71.5 -74.4 8.9 9.3 -16.3 2.3 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.918 87.9-109.0-126.1 153.5 12.2 -18.8 2.8 43 52 A K - 0 0 158 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.717 48.8-119.7 -79.0 109.4 14.4 -19.8 5.7 44 53 A I - 0 0 4 -2,-0.9 3,-0.1 1,-0.1 -1,-0.1 -0.260 29.9-173.7 -55.5 130.0 17.7 -18.4 4.6 45 54 A K + 0 0 173 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.586 63.8 1.1-101.0 -16.6 20.4 -21.0 4.2 46 55 A S > - 0 0 35 1,-0.1 4,-1.3 22,-0.0 -1,-0.2 -0.988 65.7-107.0-163.1 171.0 23.3 -18.6 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.874 116.0 59.3 -71.6 -37.9 24.6 -15.1 3.2 48 57 A A H 4 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.949 105.8 48.2 -54.8 -50.8 25.0 -15.6 -0.6 49 58 A E H >4 S+ 0 0 38 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.864 114.0 47.5 -57.9 -37.5 21.2 -16.3 -0.8 50 59 A A H >< S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.2 6,-0.3 0.856 99.3 66.7 -73.2 -35.0 20.6 -13.2 1.4 51 60 A K T 3< S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.581 89.5 69.1 -64.2 -6.4 22.9 -11.0 -0.7 52 61 A K T < S+ 0 0 186 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.745 82.3 87.0 -82.4 -23.6 20.4 -11.4 -3.5 53 62 A L S X S- 0 0 28 -3,-2.0 3,-1.5 -4,-0.3 2,-0.3 -0.493 94.1-102.8 -76.4 144.3 17.8 -9.4 -1.7 54 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.527 108.3 28.0 -69.8 126.1 18.0 -5.6 -2.3 55 64 A G T 3 S+ 0 0 39 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.067 95.4 103.0 112.4 -24.2 19.6 -3.9 0.7 56 65 A V < + 0 0 8 -3,-1.5 -1,-0.3 -6,-0.3 2,-0.1 -0.846 50.8 174.2 -96.7 118.1 21.7 -6.9 1.8 57 66 A G > - 0 0 31 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.278 46.7 -74.6-109.0-164.1 25.3 -6.5 0.8 58 67 A T H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.901 124.9 50.0 -60.7 -46.8 28.7 -8.2 1.2 59 68 A K H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 114.7 43.2 -61.3 -46.7 29.2 -7.2 4.8 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 109.3 58.1 -69.6 -33.7 25.8 -8.4 6.0 61 70 A A H X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.916 106.8 48.9 -61.3 -40.8 26.1 -11.6 3.9 62 71 A E H X S+ 0 0 110 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.889 110.1 50.4 -66.4 -38.9 29.2 -12.4 5.9 63 72 A K H X S+ 0 0 26 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.900 107.8 54.3 -65.6 -38.7 27.5 -11.7 9.2 64 73 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.823 107.6 50.0 -64.6 -32.4 24.6 -14.0 8.2 65 74 A D H X S+ 0 0 75 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.909 112.0 47.5 -72.7 -40.4 27.0 -16.8 7.4 66 75 A E H X>S+ 0 0 41 -4,-2.0 4,-2.5 1,-0.2 6,-0.5 0.948 113.8 48.0 -63.4 -47.9 28.7 -16.4 10.8 67 76 A F H X5S+ 0 0 44 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.854 112.5 48.2 -61.5 -37.5 25.3 -16.3 12.6 68 77 A L H <5S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.857 114.9 45.0 -73.0 -34.1 24.0 -19.3 10.8 69 78 A A H <5S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.867 133.2 14.8 -77.9 -35.4 27.1 -21.4 11.5 70 79 A T H <5S- 0 0 91 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.659 91.3-122.3-114.9 -20.8 27.5 -20.5 15.2 71 80 A G S <> - 0 0 5 -2,-0.3 4,-2.5 1,-0.1 3,-0.6 -0.946 9.9-155.7-135.7 109.7 28.0 -12.7 16.1 74 83 A R H 3> S+ 0 0 178 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.902 95.3 61.0 -50.9 -44.2 31.3 -12.0 17.8 75 84 A K H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 110.5 39.7 -50.9 -45.6 31.0 -8.3 16.8 76 85 A L H <> S+ 0 0 6 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.873 110.1 59.7 -72.6 -37.1 27.8 -8.1 18.8 77 86 A E H < S+ 0 0 67 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.877 109.6 43.7 -58.1 -38.6 29.1 -10.3 21.6 78 87 A K H >X S+ 0 0 169 -4,-2.6 3,-1.1 2,-0.2 4,-0.7 0.909 111.6 52.9 -73.2 -43.2 31.9 -7.7 22.2 79 88 A I H >< S+ 0 0 19 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.899 105.3 55.3 -58.6 -41.0 29.5 -4.7 21.9 80 89 A R T 3< S+ 0 0 116 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.712 108.0 50.9 -65.4 -19.2 27.3 -6.3 24.5 81 90 A Q T <4 S+ 0 0 146 -3,-1.1 2,-0.7 -4,-0.5 -1,-0.3 0.541 84.2 100.6 -96.0 -9.3 30.3 -6.4 26.8 82 91 A D S+ 0 0 130 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.900 93.7 49.6 -54.0 -48.0 30.3 -0.8 29.4 84 93 A T H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.951 112.9 46.4 -58.6 -50.8 30.0 2.5 27.5 85 94 A S H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 113.9 49.4 -57.8 -42.2 28.0 1.0 24.7 86 95 A S H X S+ 0 0 50 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.881 111.6 48.6 -65.6 -39.8 25.7 -0.7 27.2 87 96 A S H X S+ 0 0 18 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.956 113.2 46.9 -65.6 -49.6 25.2 2.5 29.1 88 97 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.923 111.1 51.0 -59.5 -46.1 24.4 4.5 26.0 89 98 A N H < S+ 0 0 45 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.869 112.5 47.4 -61.7 -35.5 22.0 1.8 24.7 90 99 A F H >< S+ 0 0 42 -4,-1.8 3,-1.9 -5,-0.2 4,-0.2 0.967 111.5 48.8 -69.5 -50.9 20.1 1.7 28.0 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 6,-0.2 0.866 103.7 60.1 -56.7 -39.8 19.8 5.5 28.4 92 101 A T T 3< S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.583 87.8 76.4 -67.3 -6.9 18.5 6.0 24.8 93 102 A R T < S+ 0 0 123 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.3 0.617 77.5 87.7 -78.4 -10.2 15.6 3.7 25.8 94 103 A V S X S- 0 0 1 -3,-2.0 3,-2.0 -4,-0.2 2,-0.2 -0.776 93.0-114.0 -88.1 128.1 14.2 6.7 27.7 95 104 A S T 3 S+ 0 0 37 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.441 102.7 27.2 -65.3 128.7 12.1 8.9 25.4 96 105 A G T 3 S+ 0 0 31 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.145 97.0 101.6 106.2 -19.3 13.7 12.2 24.8 97 106 A I < + 0 0 6 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.886 52.8 179.1-101.2 110.7 17.2 10.9 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.367 47.0 -77.7-101.3-174.6 19.0 10.5 22.2 99 108 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.884 129.0 45.5 -46.9 -50.5 22.5 9.3 21.2 100 109 A S H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.952 114.7 44.4 -63.1 -53.5 24.1 12.7 22.1 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 112.7 54.7 -62.7 -33.2 22.3 13.2 25.4 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.962 108.7 45.6 -64.7 -50.7 23.0 9.6 26.4 103 112 A R H X S+ 0 0 84 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.862 113.9 52.0 -60.3 -35.6 26.8 9.9 25.8 104 113 A K H X S+ 0 0 115 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.877 105.6 52.6 -69.6 -40.0 26.7 13.1 27.7 105 114 A F H <>S+ 0 0 14 -4,-2.3 5,-3.0 2,-0.2 3,-0.2 0.897 108.3 52.3 -63.7 -38.5 24.9 11.7 30.7 106 115 A V H ><5S+ 0 0 17 -4,-2.0 3,-3.5 1,-0.2 -2,-0.2 0.975 104.4 55.0 -59.5 -53.9 27.6 9.0 30.9 107 116 A D H 3<5S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.4 48.0 -47.9 -32.0 30.4 11.5 30.9 108 117 A E T 3<5S- 0 0 85 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.373 124.1-104.5 -92.8 2.8 28.6 13.1 33.9 109 118 A G T < 5S+ 0 0 42 -3,-3.5 2,-0.9 1,-0.2 -3,-0.2 0.516 80.8 128.0 89.1 4.5 28.2 9.8 35.7 110 119 A I < + 0 0 5 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.833 20.1 130.6 -97.3 105.4 24.5 9.3 35.0 111 120 A K + 0 0 85 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.1 0.320 49.6 58.0-141.2 13.0 24.2 5.8 33.5 112 121 A T S > S- 0 0 52 1,-0.1 4,-2.2 -22,-0.1 5,-0.2 -0.877 84.1-103.1-137.4 172.7 21.5 3.7 35.2 113 122 A L H > S+ 0 0 31 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.872 122.7 51.6 -63.9 -35.8 17.8 3.9 36.0 114 123 A E H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.876 107.1 52.8 -69.2 -37.1 18.6 4.9 39.6 115 124 A D H >> S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.950 110.4 47.6 -62.1 -48.2 20.9 7.7 38.5 116 125 A L H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.888 107.3 57.3 -59.9 -40.5 18.2 9.1 36.3 117 126 A R H 3< S+ 0 0 141 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.698 110.2 42.5 -66.9 -19.9 15.7 8.9 39.1 118 127 A K H << S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.403 114.0 53.4-105.5 2.5 17.8 11.0 41.4 119 128 A N X< + 0 0 33 -3,-1.1 3,-2.0 -4,-0.5 4,-0.2 -0.122 59.6 131.7-126.6 37.1 18.7 13.6 38.7 120 129 A E G > + 0 0 75 -3,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.812 67.3 67.8 -58.6 -33.0 15.4 14.7 37.3 121 130 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.517 96.8 57.4 -66.7 -2.0 16.4 18.3 37.5 122 131 A K G < S+ 0 0 110 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.3 0.438 93.2 83.0-104.8 -3.5 18.9 17.5 34.8 123 132 A L S < S- 0 0 17 -3,-2.1 -26,-0.0 -4,-0.2 -27,-0.0 -0.794 77.5-126.5-102.5 142.3 16.3 16.2 32.3 124 133 A N > - 0 0 88 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.275 43.7 -88.8 -75.1 174.4 14.2 18.5 30.0 125 134 A H H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 125.9 50.1 -52.0 -49.4 10.5 18.0 30.2 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 112.9 46.0 -57.3 -47.7 10.2 15.3 27.5 127 136 A Q H > S+ 0 0 15 -31,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.876 108.5 56.7 -64.5 -38.8 13.0 13.2 29.1 128 137 A R H X S+ 0 0 119 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.914 110.9 43.3 -60.1 -42.7 11.4 13.6 32.6 129 138 A I H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 110.7 55.7 -71.9 -35.6 8.1 12.2 31.3 130 139 A G H < S+ 0 0 1 -4,-2.2 -35,-0.2 -35,-0.4 -2,-0.2 0.871 111.0 44.8 -63.1 -35.3 10.0 9.4 29.4 131 140 A L H >< S+ 0 0 7 -4,-2.3 3,-1.7 2,-0.2 4,-0.3 0.906 107.8 58.5 -73.0 -42.2 11.6 8.4 32.7 132 141 A K H 3< S+ 0 0 122 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.908 119.7 28.5 -53.0 -46.7 8.3 8.7 34.5 133 142 A Y T 3X S+ 0 0 19 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 -0.100 81.5 132.8-107.9 34.0 6.7 6.1 32.2 134 143 A F T <4 S+ 0 0 24 -3,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.911 78.5 37.9 -50.0 -51.9 9.9 4.2 31.4 135 144 A G T >4 S+ 0 0 41 -4,-0.3 3,-1.7 -3,-0.2 4,-0.3 0.951 115.4 51.9 -67.5 -50.0 8.3 0.8 32.0 136 145 A D G >4 S+ 0 0 34 1,-0.3 3,-2.2 2,-0.2 -2,-0.2 0.895 102.4 59.9 -53.8 -45.5 4.9 1.6 30.5 137 146 A F G 3< S+ 0 0 45 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.590 101.9 54.3 -62.9 -11.4 6.3 2.9 27.2 138 147 A E G < S+ 0 0 99 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.388 89.0 95.9-101.3 1.6 8.0 -0.5 26.5 139 148 A K S < S- 0 0 100 -3,-2.2 2,-0.1 -4,-0.3 -3,-0.0 -0.710 76.9-122.7 -90.3 142.8 4.7 -2.4 26.9 140 149 A R - 0 0 141 -2,-0.3 40,-0.2 104,-0.0 -2,-0.1 -0.392 17.1-125.2 -79.4 161.7 2.8 -3.2 23.7 141 150 A I E -A 179 0A 0 38,-2.6 38,-2.3 -2,-0.1 40,-0.1 -0.944 22.4-132.0-110.6 118.0 -0.9 -2.1 23.2 142 151 A P E >> -A 178 0A 56 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.412 19.9-120.5 -65.8 144.2 -3.3 -4.9 22.4 143 152 A R H 3> S+ 0 0 64 34,-2.4 4,-2.6 1,-0.3 5,-0.2 0.883 114.0 61.0 -53.5 -39.5 -5.5 -4.1 19.4 144 153 A E H 3> S+ 0 0 157 33,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.890 107.0 45.4 -54.9 -39.3 -8.5 -4.6 21.7 145 154 A E H <> S+ 0 0 31 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.864 108.5 55.8 -72.0 -35.2 -7.2 -1.7 23.8 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.887 105.0 54.3 -63.1 -35.8 -6.5 0.3 20.7 147 156 A L H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.868 108.4 48.4 -65.0 -36.7 -10.2 -0.1 19.8 148 157 A Q H X S+ 0 0 78 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.904 111.9 48.5 -69.0 -43.0 -11.2 1.3 23.2 149 158 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.885 108.7 55.0 -64.6 -37.8 -8.9 4.3 22.8 150 159 A Q H X S+ 0 0 51 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.924 105.2 52.1 -60.9 -46.8 -10.2 4.9 19.3 151 160 A D H X S+ 0 0 98 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.932 112.5 45.6 -56.2 -48.4 -13.8 5.0 20.5 152 161 A I H X S+ 0 0 34 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.973 114.4 45.9 -60.7 -57.5 -12.9 7.6 23.2 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.908 116.3 45.1 -54.7 -47.3 -10.8 9.8 20.9 154 163 A L H X S+ 0 0 60 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.915 115.7 46.7 -65.7 -40.5 -13.3 9.8 18.1 155 164 A N H X S+ 0 0 56 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.862 113.8 47.4 -69.9 -34.7 -16.3 10.4 20.4 156 165 A E H X S+ 0 0 17 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.883 110.2 52.2 -73.5 -37.6 -14.5 13.2 22.3 157 166 A V H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.889 107.8 53.7 -64.1 -37.4 -13.4 15.0 19.1 158 167 A K H < S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.898 102.7 56.4 -63.9 -41.9 -17.0 14.8 17.9 159 168 A K H < S+ 0 0 140 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 107.5 50.3 -61.0 -30.4 -18.3 16.5 21.1 160 169 A V H < S- 0 0 44 -4,-1.2 2,-0.3 -3,-0.3 -2,-0.2 0.975 136.8 -14.4 -71.4 -56.8 -15.9 19.4 20.4 161 170 A D >< - 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