==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-JUN-12 4FS2 . COMPND 2 MOLECULE: DNA (5'-D(*TP*CP*TP*(EFG) . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHAO . 383 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.6 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 . 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 . 1 0.3 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 . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 1 1 2 1 3 0 0 0 0 0 1 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 2 0 1 1 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 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 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 26 A S 0 0 171 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.2 -24.4 -28.2 -5.9 2 27 A S - 0 0 56 106,-0.0 2,-0.2 1,-0.0 175,-0.1 -0.629 360.0-155.5 -83.7 127.9 -21.8 -25.3 -5.5 3 28 A R - 0 0 41 173,-0.5 2,-0.5 -2,-0.5 145,-0.0 -0.545 18.0-148.9-103.3 163.3 -21.0 -24.3 -1.9 4 29 A V - 0 0 4 -2,-0.2 103,-2.2 143,-0.0 104,-0.7 -0.992 27.7-178.6-126.3 115.3 -19.7 -21.2 -0.2 5 30 A I E -AB 106 175A 0 170,-3.1 170,-2.2 -2,-0.5 2,-0.4 -0.933 13.1-155.7-118.9 137.4 -17.7 -22.3 2.8 6 31 A V E -AB 105 174A 0 99,-3.1 99,-2.2 -2,-0.4 2,-0.5 -0.960 2.3-163.6-113.5 140.5 -16.0 -20.0 5.3 7 32 A H E -AB 104 173A 0 166,-2.5 166,-2.0 -2,-0.4 2,-0.4 -0.982 8.4-165.6-116.9 122.0 -12.9 -21.0 7.4 8 33 A V E -AB 103 172A 1 95,-2.8 95,-1.3 -2,-0.5 2,-0.4 -0.908 7.3-179.3-108.9 138.9 -12.2 -18.7 10.5 9 34 A D E -AB 102 171A 37 162,-2.9 162,-2.8 -2,-0.4 93,-0.2 -0.940 22.5-131.6-143.1 110.0 -8.9 -19.0 12.2 10 35 A L E > - B 0 170A 6 91,-2.3 3,-0.5 -2,-0.4 2,-0.3 -0.226 27.0-103.1 -66.7 155.3 -8.1 -16.8 15.2 11 36 A D T 3 S- 0 0 7 158,-2.0 5,-0.3 1,-0.2 158,-0.2 -0.608 87.3 -29.9 -76.8 129.7 -4.8 -14.8 15.5 12 37 A C T >> S- 0 0 12 -2,-0.3 4,-2.8 1,-0.1 3,-1.1 0.735 81.5-162.4 36.8 51.7 -2.1 -16.3 17.9 13 38 A F H <> S+ 0 0 10 -3,-0.5 4,-2.4 1,-0.3 5,-0.2 0.727 75.6 40.1 -45.1 -57.1 -5.0 -17.8 19.9 14 39 A Y H 3> S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.902 119.7 47.7 -61.7 -34.6 -3.4 -18.6 23.3 15 40 A A H <> S+ 0 0 0 -3,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.917 109.9 53.5 -72.9 -37.7 -1.3 -15.3 23.3 16 41 A Q H X S+ 0 0 14 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.927 108.1 48.8 -61.4 -44.2 -4.4 -13.5 22.4 17 42 A V H X S+ 0 0 10 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.938 113.5 47.4 -62.4 -43.7 -6.3 -14.9 25.3 18 43 A E H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 109.0 54.4 -66.2 -38.7 -3.3 -14.0 27.7 19 44 A M H < S+ 0 0 26 -4,-3.0 7,-0.2 1,-0.2 6,-0.2 0.885 107.9 49.9 -59.9 -41.8 -3.1 -10.4 26.3 20 45 A I H < S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.7 47.1 -61.4 -47.2 -6.8 -9.8 27.0 21 46 A S H < S+ 0 0 91 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.880 127.3 27.2 -61.2 -39.6 -6.6 -11.1 30.6 22 47 A N >< - 0 0 77 -4,-2.0 3,-2.4 -5,-0.2 -1,-0.3 -0.781 64.5-178.1-133.5 84.5 -3.5 -9.0 31.3 23 48 A P G > S+ 0 0 75 0, 0.0 3,-3.0 0, 0.0 4,-0.4 0.690 76.2 82.4 -58.7 -20.9 -3.3 -5.9 29.0 24 49 A E G 3 S+ 0 0 88 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.832 94.1 51.2 -52.7 -26.7 0.1 -5.0 30.6 25 50 A L G X S+ 0 0 17 -3,-2.4 3,-0.7 -6,-0.2 -1,-0.3 0.440 81.0 100.1 -85.1 -2.2 1.2 -7.6 28.0 26 51 A K T < S+ 0 0 129 -3,-3.0 -1,-0.2 -7,-0.2 -2,-0.1 0.855 92.6 28.4 -59.6 -34.0 -0.6 -5.9 25.0 27 52 A D T 3 S+ 0 0 156 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.461 102.4 91.4-111.3 3.1 2.5 -4.2 23.6 28 53 A K S < S- 0 0 26 -3,-0.7 2,-0.2 -4,-0.1 17,-0.2 -0.703 87.7-102.2 -97.4 144.1 5.2 -6.5 24.7 29 54 A P - 0 0 28 0, 0.0 38,-2.3 0, 0.0 2,-0.4 -0.548 53.3-165.9 -59.1 128.4 6.5 -9.3 22.6 30 55 A L E -f 67 0B 0 -2,-0.2 12,-2.1 36,-0.2 2,-0.3 -0.978 20.8-171.3-134.9 138.2 4.9 -12.3 24.3 31 56 A G E -fG 68 41B 0 36,-2.7 38,-2.3 -2,-0.4 2,-0.5 -0.969 19.7-137.1-125.7 142.9 5.3 -16.2 24.2 32 57 A V E -fG 69 40B 0 8,-3.1 7,-1.7 -2,-0.3 8,-0.7 -0.868 28.5-151.4-102.4 126.0 3.0 -18.8 25.8 33 58 A Q E +fG 70 38B 48 36,-3.3 38,-3.4 -2,-0.5 2,-0.4 -0.795 24.9 177.6-109.6 136.0 5.0 -21.5 27.5 34 59 A Q E > S- G 0 37B 51 3,-2.8 3,-1.9 -2,-0.4 2,-0.1 -0.944 72.6 -50.8-129.7 114.4 4.4 -25.1 28.1 35 60 A K T 3 S- 0 0 81 -2,-0.4 36,-0.1 1,-0.3 37,-0.0 -0.370 126.0 -17.3 53.2-126.8 7.4 -26.9 29.8 36 61 A Y T 3 S+ 0 0 146 -3,-0.1 20,-1.9 19,-0.1 2,-0.4 0.172 121.0 102.6 -92.1 24.2 10.4 -25.9 27.7 37 62 A L E < -GH 34 55B 42 -3,-1.9 -3,-2.8 18,-0.2 2,-1.0 -0.893 61.8-152.2-117.0 136.9 8.2 -24.9 24.8 38 63 A V E -GH 33 54B 0 16,-2.2 15,-1.4 -2,-0.4 16,-1.4 -0.846 23.2-178.2 -96.3 94.5 7.0 -21.7 23.3 39 64 A V E - 0 0 29 -7,-1.7 14,-0.8 -2,-1.0 2,-0.3 0.947 64.1 -17.0 -66.3 -47.2 3.8 -23.2 21.9 40 65 A T E -G 32 0B 14 -8,-0.7 -8,-3.1 12,-0.2 2,-0.3 -0.949 61.1-160.7-147.3 172.9 2.8 -19.9 20.3 41 66 A C E -G 31 0B 0 -2,-0.3 -10,-0.2 -10,-0.2 -26,-0.1 -0.976 28.2 -97.1-150.8 160.6 3.6 -16.1 20.5 42 67 A N > - 0 0 6 -12,-2.1 4,-1.5 -2,-0.3 3,-0.1 -0.048 43.7 -98.8 -72.1 177.7 2.0 -12.7 19.5 43 68 A Y H > S+ 0 0 52 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.799 121.8 63.2 -75.2 -24.2 2.8 -10.8 16.3 44 69 A E H > S+ 0 0 40 1,-0.2 4,-1.4 -16,-0.2 3,-0.4 0.945 108.3 43.6 -61.2 -42.8 5.2 -8.5 18.2 45 70 A A H 4>S+ 0 0 0 -15,-0.2 5,-2.1 1,-0.2 -2,-0.2 0.820 106.0 58.9 -71.6 -31.6 7.3 -11.6 18.9 46 71 A R H ><5S+ 0 0 59 -4,-1.5 3,-0.6 3,-0.2 -1,-0.2 0.739 103.8 55.8 -73.1 -18.6 7.0 -13.0 15.4 47 72 A K H 3<5S+ 0 0 181 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.973 102.8 53.1 -67.3 -56.1 8.7 -9.8 14.3 48 73 A L T 3<5S- 0 0 42 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.239 130.8 -93.9 -66.5 15.6 11.6 -10.3 16.6 49 74 A G T < 5S+ 0 0 44 -3,-0.6 -3,-0.2 1,-0.3 2,-0.2 0.331 76.4 143.0 94.7 -9.4 12.1 -13.7 15.0 50 75 A V < - 0 0 4 -5,-2.1 2,-0.3 12,-0.1 -1,-0.3 -0.459 31.6-159.3 -67.0 132.3 10.2 -16.0 17.4 51 76 A K > - 0 0 48 -2,-0.2 3,-0.9 -11,-0.1 -13,-0.1 -0.800 28.5 -92.3-109.9 158.4 8.4 -19.0 15.7 52 77 A K T 3 S+ 0 0 106 -2,-0.3 -12,-0.2 1,-0.2 -13,-0.2 -0.444 112.8 17.2 -62.1 137.7 5.4 -21.2 16.9 53 78 A L T 3 S+ 0 0 126 -15,-1.4 2,-0.4 -14,-0.8 -1,-0.2 0.895 87.6 145.5 65.2 42.8 6.8 -24.3 18.6 54 79 A M E < -H 38 0B 43 -16,-1.4 -16,-2.2 -3,-0.9 -1,-0.2 -0.900 54.2-109.8-105.4 137.8 10.3 -22.9 19.2 55 80 A N E > -H 37 0B 20 -2,-0.4 4,-1.8 -18,-0.2 -18,-0.2 -0.321 30.2-107.9 -68.5 156.2 12.0 -24.0 22.4 56 81 A V H > S+ 0 0 23 -20,-1.9 4,-2.9 1,-0.2 5,-0.3 0.852 115.5 54.8 -52.8 -38.6 12.4 -21.4 25.1 57 82 A R H > S+ 0 0 177 -21,-0.3 4,-2.2 2,-0.2 5,-0.3 0.955 108.5 45.0 -62.9 -56.3 16.3 -21.2 24.5 58 83 A D H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 118.4 46.9 -54.7 -35.0 16.2 -20.5 20.8 59 84 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.833 109.4 49.2 -81.0 -37.5 13.4 -17.9 21.5 60 85 A K H < S+ 0 0 97 -4,-2.9 6,-0.2 2,-0.2 -2,-0.2 0.882 115.5 46.7 -67.3 -38.2 15.0 -16.0 24.4 61 86 A E H < S+ 0 0 81 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.927 113.0 47.5 -66.8 -48.4 18.3 -15.7 22.4 62 87 A K H < S+ 0 0 52 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.764 136.0 13.8 -63.9 -23.5 16.4 -14.6 19.3 63 88 A C >< - 0 0 1 -4,-1.2 3,-2.6 -14,-0.1 -1,-0.2 -0.529 68.6-173.7-155.7 81.5 14.5 -12.1 21.6 64 89 A P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.711 87.0 49.9 -51.7 -34.8 16.0 -11.5 25.2 65 90 A Q T 3 S+ 0 0 122 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.285 76.7 140.2 -91.6 2.6 13.1 -9.4 26.5 66 91 A L < - 0 0 5 -3,-2.6 2,-0.4 -6,-0.2 -36,-0.2 -0.314 50.1-137.0 -42.0 114.1 10.4 -11.9 25.3 67 92 A V E -f 30 0B 54 -38,-2.3 -36,-2.7 -2,-0.1 2,-0.4 -0.717 20.6-154.3 -77.1 136.4 7.8 -12.0 28.1 68 93 A L E -f 31 0B 41 -2,-0.4 2,-0.4 -38,-0.2 -36,-0.2 -0.926 13.7-175.8-117.4 131.7 6.6 -15.6 28.9 69 94 A V E -f 32 0B 40 -38,-2.3 -36,-3.3 -2,-0.4 2,-0.4 -0.985 32.5-109.6-127.4 148.4 3.3 -16.8 30.4 70 95 A N E +f 33 0B 85 -2,-0.4 3,-0.2 -38,-0.2 -36,-0.2 -0.496 32.7 174.9 -83.2 127.3 2.5 -20.3 31.3 71 96 A G + 0 0 0 -38,-3.4 -37,-0.1 -2,-0.4 -1,-0.1 -0.000 43.2 112.6-119.7 32.4 -0.1 -22.0 29.1 72 97 A E + 0 0 79 -39,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.736 68.3 66.5 -78.7 -29.2 -0.1 -25.6 30.4 73 98 A D - 0 0 104 -3,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.893 66.5-170.7 -91.1 118.2 -3.6 -25.3 31.8 74 99 A L > + 0 0 53 -2,-0.6 4,-3.3 1,-0.2 5,-0.2 0.326 52.7 110.2 -92.5 3.1 -5.9 -25.0 28.8 75 100 A T H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 81.1 42.1 -55.1 -48.3 -9.0 -24.1 30.7 76 101 A R H > S+ 0 0 43 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.877 116.8 47.1 -65.1 -41.3 -9.3 -20.5 29.6 77 102 A Y H > S+ 0 0 1 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 52.5 -65.7 -43.7 -8.4 -21.2 26.0 78 103 A R H X S+ 0 0 46 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.956 110.2 47.3 -50.3 -58.4 -10.9 -24.1 26.0 79 104 A E H X S+ 0 0 113 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.911 113.9 46.2 -58.4 -44.4 -13.7 -21.8 27.4 80 105 A M H X S+ 0 0 37 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.873 105.6 60.2 -64.7 -39.1 -13.0 -19.0 24.8 81 106 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.889 107.3 46.4 -58.0 -41.2 -12.8 -21.5 22.0 82 107 A Y H X S+ 0 0 60 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.862 105.9 58.5 -69.6 -31.1 -16.5 -22.6 22.7 83 108 A K H X S+ 0 0 111 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.939 108.7 47.6 -64.0 -36.9 -17.7 -19.0 23.0 84 109 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.970 112.6 45.9 -64.4 -48.9 -16.4 -18.6 19.4 85 110 A T H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.935 113.3 51.2 -62.8 -44.0 -18.0 -21.7 18.0 86 111 A E H X S+ 0 0 122 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.899 109.9 49.1 -59.5 -42.4 -21.3 -20.8 19.8 87 112 A L H >X S+ 0 0 10 -4,-2.3 3,-1.2 -5,-0.2 4,-0.7 0.947 111.5 48.9 -65.8 -41.4 -21.3 -17.3 18.3 88 113 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-1.3 0.891 102.3 64.1 -65.9 -28.8 -20.6 -18.7 14.8 89 114 A E H 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.774 90.2 66.2 -68.7 -21.1 -23.5 -21.1 15.3 90 115 A E H << S+ 0 0 156 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.822 102.5 48.0 -65.0 -28.9 -25.9 -18.2 15.6 91 116 A F H << S- 0 0 52 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.960 138.0 -7.5 -77.0 -53.4 -25.1 -17.5 11.9 92 117 A S < - 0 0 22 -4,-1.7 -1,-0.3 1,-0.1 15,-0.0 -0.985 65.1-135.7-143.7 137.0 -25.6 -21.1 10.8 93 118 A P S S+ 0 0 95 0, 0.0 2,-1.2 0, 0.0 -4,-0.1 0.686 87.1 78.4 -63.6 -22.6 -26.1 -24.0 13.1 94 119 A V + 0 0 54 12,-0.2 12,-0.8 -6,-0.1 2,-0.5 -0.767 59.5 159.0 -99.1 98.4 -23.8 -26.4 11.4 95 120 A V E -C 105 0A 0 -2,-1.2 176,-2.3 10,-0.2 2,-0.5 -0.974 26.2-153.9-121.7 132.1 -20.3 -25.4 12.5 96 121 A E E -C 104 0A 28 8,-2.6 8,-2.4 -2,-0.5 2,-0.2 -0.862 9.7-150.7-107.5 129.3 -17.3 -27.6 12.4 97 122 A R E -C 103 0A 31 -2,-0.5 2,-0.4 6,-0.2 6,-0.3 -0.610 9.4-170.1 -90.8 148.1 -14.3 -27.1 14.8 98 123 A L E >> -C 102 0A 79 4,-2.5 4,-0.9 1,-0.4 3,-0.5 -0.892 66.2 -38.5-137.4 108.4 -10.8 -27.9 14.0 99 124 A G T 34 S- 0 0 52 -2,-0.4 -1,-0.4 1,-0.2 3,-0.3 -0.184 100.4 -52.1 62.2-162.8 -8.7 -27.6 17.1 100 125 A F T 34 S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.600 132.7 32.6 -88.1 -11.8 -9.3 -24.9 19.5 101 126 A D T <4 S+ 0 0 32 -3,-0.5 -91,-2.3 -91,-0.1 2,-0.4 0.326 97.8 76.5-135.2 14.1 -9.2 -21.9 17.1 102 127 A E E < +AC 9 98A 26 -4,-0.9 -4,-2.5 -3,-0.3 2,-0.3 -0.968 47.1 176.8-123.4 144.0 -10.5 -22.8 13.6 103 128 A N E -AC 8 97A 2 -95,-1.3 -95,-2.8 -2,-0.4 2,-0.4 -0.977 15.4-151.4-136.7 146.5 -14.2 -23.3 12.6 104 129 A F E -AC 7 96A 9 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.4 -0.926 13.4-173.2-114.3 146.0 -15.8 -24.0 9.2 105 130 A V E -AC 6 95A 0 -99,-2.2 -99,-3.1 -2,-0.4 2,-0.9 -0.998 23.3-134.7-137.5 133.7 -19.3 -22.9 8.4 106 131 A D E +A 5 0A 43 -12,-0.8 4,-0.3 -2,-0.4 3,-0.2 -0.809 25.5 176.6 -89.0 111.7 -21.3 -23.7 5.3 107 132 A L > + 0 0 0 -103,-2.2 4,-3.4 -2,-0.9 5,-0.2 0.384 46.1 107.9 -94.0 -1.8 -22.8 -20.4 4.2 108 133 A T H > S+ 0 0 20 -104,-0.7 4,-3.0 1,-0.3 5,-0.2 0.909 83.7 41.8 -51.2 -47.6 -24.5 -21.7 1.0 109 134 A E H > S+ 0 0 157 -3,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.900 114.9 49.8 -69.2 -43.2 -28.0 -21.4 2.4 110 135 A M H > S+ 0 0 39 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.957 113.3 48.7 -61.0 -42.2 -27.4 -18.1 4.1 111 136 A V H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.937 112.0 47.1 -60.3 -52.4 -25.9 -16.8 0.8 112 137 A E H X S+ 0 0 88 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.908 111.2 51.9 -55.9 -46.0 -28.9 -18.1 -1.3 113 138 A K H X S+ 0 0 151 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.861 110.9 48.1 -65.2 -31.9 -31.4 -16.6 1.2 114 139 A R H < S+ 0 0 73 -4,-2.4 3,-0.5 -5,-0.2 4,-0.4 0.860 111.1 50.4 -75.4 -32.5 -29.6 -13.2 1.0 115 140 A L H >< S+ 0 0 27 -4,-2.3 3,-2.2 -5,-0.2 -2,-0.2 0.959 102.2 61.4 -65.5 -43.3 -29.6 -13.4 -2.8 116 141 A Q H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.718 103.9 53.5 -49.8 -24.7 -33.4 -14.2 -2.8 117 142 A Q T 3< S+ 0 0 129 -4,-0.5 2,-0.4 -3,-0.5 -1,-0.3 0.571 84.0 98.1 -94.3 -10.1 -33.8 -10.8 -1.2 118 143 A L < - 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0 0 62 -4,-0.5 -20,-1.1 -7,-0.2 2,-0.3 -0.834 52.5-138.5-145.1 173.1 -7.6 -10.0 7.6 193 218 A Q E - e 0 172A 4 -2,-0.3 -62,-2.4 -22,-0.2 2,-0.4 -0.974 10.2-166.7-143.5 152.6 -9.8 -12.1 5.2 194 219 A T E -de 131 173A 3 -22,-1.8 -20,-2.3 -2,-0.3 2,-0.4 -0.992 8.5-150.6-140.2 142.4 -9.5 -13.4 1.6 195 220 A V E -de 132 174A 0 -64,-2.0 -62,-3.1 -2,-0.4 2,-0.6 -0.962 11.6-143.5-117.0 141.7 -11.9 -14.8 -0.9 196 221 A L - 0 0 5 -22,-3.0 -20,-0.2 -2,-0.4 -62,-0.1 -0.906 8.8-154.3-106.4 113.8 -10.9 -17.3 -3.5 197 222 A L > - 0 0 0 -2,-0.6 3,-2.1 -64,-0.3 4,-0.2 -0.561 31.3-112.3 -79.8 146.4 -12.6 -17.0 -7.0 198 223 A P G > S+ 0 0 53 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.830 111.3 62.9 -57.3 -31.8 -12.7 -20.3 -8.9 199 224 A E G 3 S+ 0 0 110 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.681 101.6 52.3 -65.8 -19.1 -10.3 -19.2 -11.6 200 225 A S G <> S+ 0 0 6 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.323 78.0 101.6 -99.2 3.8 -7.4 -18.8 -9.1 201 226 A C H <> S+ 0 0 24 -3,-1.7 4,-2.6 -4,-0.2 5,-0.2 0.936 82.5 47.7 -51.6 -49.0 -7.8 -22.2 -7.6 202 227 A Q H > S+ 0 0 136 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.924 110.2 54.1 -63.7 -36.5 -4.8 -23.7 -9.4 203 228 A H H > S+ 0 0 89 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.947 109.3 46.5 -61.3 -46.0 -2.8 -20.7 -8.5 204 229 A L H >X S+ 0 0 3 -4,-2.7 3,-0.6 2,-0.2 4,-0.5 0.947 114.2 48.3 -65.0 -40.7 -3.5 -21.1 -4.8 205 230 A I H >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.915 112.7 47.3 -67.7 -42.4 -2.7 -24.9 -4.9 206 231 A H H 3< S+ 0 0 51 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.637 96.1 74.1 -76.0 -11.1 0.5 -24.4 -6.8 207 232 A S H << S+ 0 0 53 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.745 75.3 98.3 -69.6 -19.7 1.6 -21.6 -4.4 208 233 A L << - 0 0 26 -3,-1.0 25,-0.4 -4,-0.5 3,-0.1 -0.392 58.0-163.7 -67.5 141.6 2.4 -24.3 -1.7 209 234 A N + 0 0 124 1,-0.2 2,-0.4 23,-0.1 -1,-0.1 0.613 69.9 44.2-101.5 -13.3 6.1 -25.2 -1.6 210 235 A H S > S- 0 0 120 1,-0.1 3,-2.0 22,-0.1 4,-0.2 -0.995 72.2-134.7-135.7 141.1 5.9 -28.4 0.4 211 236 A I G > S+ 0 0 11 20,-0.7 3,-1.5 -2,-0.4 6,-0.2 0.761 103.9 67.2 -67.4 -24.6 3.5 -31.3 0.0 212 237 A K G 3 S+ 0 0 112 1,-0.3 -1,-0.3 4,-0.1 5,-0.2 0.617 83.0 78.8 -70.7 -10.9 2.9 -31.4 3.8 213 238 A E G < S+ 0 0 79 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.711 71.9 93.8 -71.1 -15.6 1.2 -28.0 3.5 214 239 A I S X S- 0 0 1 -3,-1.5 3,-2.5 -4,-0.2 2,-0.3 -0.665 90.2-115.6 -78.0 123.9 -1.9 -29.8 2.3 215 240 A P T 3 S+ 0 0 45 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.473 105.0 34.1 -58.2 117.0 -4.3 -30.4 5.2 216 241 A G T 3 S+ 0 0 53 -2,-0.3 2,-0.7 1,-0.2 40,-0.1 0.108 93.5 95.3 115.4 -16.0 -4.4 -34.2 5.4 217 242 A I < + 0 0 6 -3,-2.5 -1,-0.2 -5,-0.2 2,-0.1 -0.919 58.9 174.9-103.5 111.7 -0.8 -34.9 4.4 218 243 A G > - 0 0 32 -2,-0.7 4,-2.7 -3,-0.1 5,-0.3 -0.271 46.6 -70.5-103.6-167.4 1.1 -35.3 7.7 219 244 A Y H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.850 128.3 44.4 -51.8 -43.6 4.6 -36.2 8.9 220 245 A K H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.955 115.7 42.7 -72.7 -51.3 4.3 -39.8 8.0 221 246 A T H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.866 113.2 53.3 -64.3 -38.1 2.7 -39.5 4.6 222 247 A A H X S+ 0 0 13 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.949 106.1 52.3 -63.9 -50.7 4.9 -36.7 3.5 223 248 A K H X S+ 0 0 62 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.921 111.0 49.0 -49.9 -47.7 8.1 -38.7 4.4 224 249 A C H X S+ 0 0 56 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.871 112.7 46.7 -61.3 -38.2 6.7 -41.6 2.2 225 250 A L H <>S+ 0 0 5 -4,-2.3 5,-2.6 2,-0.2 3,-0.5 0.938 110.1 54.1 -67.8 -41.3 5.9 -39.2 -0.7 226 251 A E H ><5S+ 0 0 53 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.921 106.6 51.8 -56.9 -43.8 9.5 -37.7 -0.3 227 252 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.789 105.9 54.6 -67.1 -29.3 10.9 -41.2 -0.6 228 253 A L T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.248 122.9-105.9 -79.3 11.3 8.9 -41.7 -3.8 229 254 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.681 76.4 141.2 66.2 17.3 10.5 -38.5 -5.3 230 255 A I < + 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.817 8.3 140.0 -93.0 113.3 7.1 -36.6 -4.9 231 256 A N + 0 0 89 -2,-0.7 -20,-0.7 -3,-0.1 2,-0.2 0.713 49.2 52.9-127.1 -33.0 7.9 -33.1 -3.7 232 257 A S S > S- 0 0 46 -22,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.603 82.3-111.9-105.0 171.4 5.6 -30.5 -5.3 233 258 A V H > S+ 0 0 4 -25,-0.4 4,-2.7 1,-0.2 5,-0.2 0.932 122.3 53.3 -63.1 -41.0 1.8 -30.3 -5.5 234 259 A R H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 102.9 55.7 -61.2 -39.0 2.2 -30.9 -9.2 235 260 A D H > S+ 0 0 59 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.887 112.0 44.7 -59.2 -40.3 4.4 -34.1 -8.6 236 261 A L H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.935 111.0 53.0 -69.8 -42.6 1.5 -35.4 -6.6 237 262 A Q H 3< S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 117.7 36.9 -58.1 -35.4 -1.1 -34.4 -9.1 238 263 A T H 3< S+ 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.381 90.1 113.8-103.7 1.2 0.7 -36.2 -11.9 239 264 A F S << S- 0 0 42 -3,-0.9 -3,-0.0 -4,-0.6 3,-0.0 -0.426 82.7 -81.5 -83.0 155.3 2.0 -39.3 -10.1 240 265 A S > - 0 0 43 1,-0.2 4,-3.0 -2,-0.1 5,-0.2 -0.309 32.2-153.6 -63.3 115.7 0.7 -42.8 -11.0 241 266 A P H > S+ 0 0 74 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.939 96.5 50.4 -52.2 -48.3 -2.6 -43.4 -9.2 242 267 A K H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 113.4 43.2 -54.7 -50.8 -1.9 -47.2 -9.3 243 268 A I H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 113.0 52.7 -66.9 -41.5 1.6 -46.9 -7.8 244 269 A L H >X S+ 0 0 1 -4,-3.0 4,-1.2 2,-0.2 3,-1.1 0.976 109.6 48.6 -56.1 -60.7 0.5 -44.3 -5.2 245 270 A E H >X S+ 0 0 75 -4,-3.1 4,-3.6 1,-0.3 3,-0.7 0.878 109.5 53.6 -45.1 -46.7 -2.3 -46.7 -4.0 246 271 A K H 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.826 114.8 40.9 -60.9 -31.2 0.2 -49.6 -3.8 247 272 A E H << S+ 0 0 57 -4,-1.6 -1,-0.2 -3,-1.1 -2,-0.2 0.573 135.4 14.7 -96.6 -5.2 2.4 -47.5 -1.6 248 273 A L H S+ 0 0 92 1,-0.2 4,-1.9 3,-0.2 5,-0.2 0.863 126.2 52.7 -52.7 -32.3 -6.6 -46.9 -1.9 251 276 A S H > S+ 0 0 75 2,-0.2 4,-1.6 3,-0.2 5,-0.2 0.975 115.0 31.3 -73.2 -61.6 -7.8 -44.7 0.8 252 277 A V H X S+ 0 0 39 -4,-0.7 4,-2.7 2,-0.2 5,-0.3 0.955 122.0 53.2 -60.0 -51.0 -4.9 -42.3 1.7 253 278 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 5,-0.2 0.897 111.9 42.9 -51.2 -47.8 -3.7 -42.4 -2.0 254 279 A Q H X S+ 0 0 114 -4,-1.9 4,-1.2 -5,-0.4 -1,-0.2 0.811 114.7 47.4 -80.8 -24.2 -7.0 -41.5 -3.4 255 280 A R H X S+ 0 0 112 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.934 113.1 47.1 -83.5 -39.2 -8.0 -38.7 -1.0 256 281 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.864 109.6 52.7 -66.4 -33.4 -4.6 -37.0 -1.1 257 282 A Q H X S+ 0 0 21 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.917 110.4 50.1 -72.5 -35.4 -4.4 -37.0 -4.9 258 283 A K H ><>S+ 0 0 95 -4,-1.2 5,-1.8 -5,-0.2 3,-1.0 0.931 109.7 49.6 -59.5 -48.6 -7.8 -35.5 -4.9 259 284 A L H ><5S+ 0 0 14 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.869 100.2 66.8 -56.2 -37.0 -6.7 -32.8 -2.4 260 285 A S H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 101.5 48.3 -63.1 -21.5 -3.6 -32.1 -4.7 261 286 A F T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.442 123.0-104.1 -92.3 0.8 -6.0 -30.8 -7.3 262 287 A G T < 5S+ 0 0 4 -3,-2.5 2,-0.4 1,-0.3 -82,-0.2 0.577 77.9 135.8 88.8 9.4 -7.9 -28.5 -4.9 263 288 A E < + 0 0 90 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.3 -0.763 16.3 153.8-101.2 130.8 -10.9 -30.9 -4.8 264 289 A D + 0 0 26 -2,-0.4 -86,-0.3 -3,-0.1 -84,-0.1 -0.796 15.5 177.0-158.8 110.9 -12.6 -31.7 -1.6 265 290 A N + 0 0 143 -2,-0.3 -1,-0.0 -88,-0.1 -2,-0.0 0.333 35.8 131.7 -97.5 5.9 -16.1 -32.7 -1.3 266 291 A S - 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