==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 19-DEC-11 3V68 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR B.G.HAN,B.I.LEE . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 0 1 3 0 0 0 1 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 2 A I 0 0 122 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 158.3 10.0 33.6 27.1 2 3 A E - 0 0 158 1,-0.2 139,-0.0 140,-0.0 140,-0.0 -0.242 360.0 -54.8 -77.6 169.1 11.5 31.9 30.2 3 4 A R S S+ 0 0 140 137,-0.1 2,-0.3 2,-0.0 139,-0.2 -0.128 73.3 145.5 -48.7 127.4 15.2 31.2 30.8 4 5 A I E -A 141 0A 32 137,-2.1 137,-3.3 -3,-0.1 2,-0.3 -0.968 28.8-175.4-163.0 144.8 16.9 29.3 28.0 5 6 A L E +A 140 0A 2 15,-0.4 15,-2.0 -2,-0.3 2,-0.3 -0.785 32.0 143.9-148.0 103.9 20.3 29.2 26.2 6 7 A E E -AB 139 19A 4 133,-2.7 133,-2.5 -2,-0.3 2,-0.4 -0.990 30.4-168.6-146.7 149.2 20.4 26.9 23.2 7 8 A F E +AB 138 18A 0 11,-2.8 11,-2.7 -2,-0.3 2,-0.3 -0.984 16.8 165.9-134.6 125.9 21.9 26.4 19.8 8 9 A T E -AB 137 17A 0 129,-2.4 129,-2.7 -2,-0.4 2,-0.3 -0.985 9.1-174.5-133.7 150.7 20.8 23.7 17.3 9 10 A A E +AB 136 16A 0 7,-2.4 7,-2.0 -2,-0.3 2,-0.3 -0.995 6.4 175.5-141.6 140.0 21.4 23.2 13.6 10 11 A K E +AB 135 15A 49 125,-2.8 125,-2.2 -2,-0.3 2,-0.3 -0.895 21.0 138.0-145.7 110.7 20.1 20.7 11.2 11 12 A H E > S- B 0 14A 21 3,-2.5 3,-2.3 -2,-0.3 2,-0.2 -0.835 74.0 -44.1-158.9 120.1 21.0 20.9 7.5 12 13 A E T 3 S- 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.437 127.2 -19.3 53.0-121.0 21.9 18.0 5.2 13 14 A E T 3 S+ 0 0 194 -2,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.454 114.7 101.9 -94.0 -2.2 24.3 15.9 7.3 14 15 A W E < +B 11 0A 28 -3,-2.3 -3,-2.5 2,-0.0 2,-0.4 -0.756 42.9 156.5 -84.3 107.1 25.2 18.8 9.7 15 16 A I E +B 10 0A 68 -2,-0.9 2,-0.3 -5,-0.2 -5,-0.2 -0.901 8.8 146.6-137.6 105.1 23.2 18.0 12.9 16 17 A V E -B 9 0A 3 -7,-2.0 -7,-2.4 -2,-0.4 2,-0.3 -0.927 17.6-178.1-137.6 160.0 24.4 19.5 16.2 17 18 A G E +Bc 8 125A 0 107,-2.5 109,-2.7 -2,-0.3 2,-0.3 -0.942 5.9 165.6-162.1 137.1 22.9 20.8 19.4 18 19 A E E +B 7 0A 31 -11,-2.7 -11,-2.8 -2,-0.3 2,-0.3 -0.990 4.7 173.7-150.7 148.8 24.0 22.3 22.7 19 20 A N E -B 6 0A 27 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.921 29.1-117.1-143.3 171.1 22.4 24.2 25.6 20 21 A V + 0 0 14 -15,-2.0 -15,-0.4 -2,-0.3 3,-0.1 -0.945 31.4 161.6-109.8 136.1 23.3 25.5 29.1 21 22 A E S S+ 0 0 137 -2,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.539 71.1 60.3-122.3 -25.4 21.4 24.1 32.1 22 23 A D S S- 0 0 111 2,-0.1 2,-1.8 5,-0.0 -1,-0.2 -0.891 81.9-151.0-106.3 99.6 23.8 25.3 34.8 23 24 A F + 0 0 40 -2,-0.8 2,-0.3 -3,-0.1 -3,-0.0 -0.463 39.7 137.9 -85.2 73.6 23.7 29.1 34.4 24 25 A T > - 0 0 56 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.758 64.8-114.1-102.6 158.2 27.1 30.4 35.6 25 26 A N H > S+ 0 0 87 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.882 118.1 54.5 -56.8 -39.8 29.1 33.1 33.8 26 27 A E H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.8 43.7 -58.7 -49.7 31.7 30.4 33.0 27 28 A N H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.871 114.8 49.4 -67.1 -37.1 29.2 28.1 31.4 28 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 112.6 47.1 -67.1 -46.2 27.5 30.8 29.5 29 30 A A H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.883 113.2 49.0 -62.8 -39.1 30.8 32.2 28.1 30 31 A M H X S+ 0 0 53 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.875 111.0 50.4 -68.8 -37.7 32.0 28.7 27.1 31 32 A F H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.946 113.0 45.1 -61.5 -49.6 28.6 28.1 25.4 32 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.856 111.4 54.3 -65.6 -35.0 28.8 31.3 23.4 33 34 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 84,-0.4 0.937 110.9 45.1 -59.8 -50.2 32.5 30.6 22.6 34 35 A R H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 88,-0.5 0.886 112.2 51.5 -64.5 -39.3 31.6 27.2 21.2 35 36 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.950 110.7 49.0 -60.6 -48.4 28.7 28.7 19.3 36 37 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.934 113.4 46.0 -56.1 -49.4 30.9 31.4 17.8 37 38 A N H X S+ 0 0 0 -4,-2.5 4,-1.5 83,-0.3 -1,-0.2 0.904 115.7 47.6 -60.8 -41.1 33.6 28.8 16.8 38 39 A T H X S+ 0 0 2 -4,-2.5 4,-1.0 82,-0.2 -2,-0.2 0.947 114.6 41.4 -68.2 -53.4 30.9 26.5 15.3 39 40 A V H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 3,-0.4 0.884 113.4 54.3 -67.2 -35.8 28.9 29.0 13.2 40 41 A S H < S+ 0 0 8 -4,-2.1 -1,-0.2 -5,-0.4 3,-0.2 0.879 105.9 53.2 -64.0 -36.9 32.1 30.7 12.0 41 42 A S H < S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.2 4,-0.2 0.765 112.6 45.1 -68.0 -26.0 33.5 27.4 10.7 42 43 A K H >< S+ 0 0 77 -4,-1.0 3,-0.7 -3,-0.4 4,-0.3 0.652 89.1 84.3 -94.3 -19.5 30.3 26.8 8.7 43 44 A I G >< S+ 0 0 1 -4,-1.4 3,-2.3 1,-0.2 4,-0.2 0.893 84.0 58.5 -52.2 -47.8 29.8 30.2 7.1 44 45 A P G > S+ 0 0 13 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.840 97.7 61.1 -56.7 -34.1 32.1 29.6 4.2 45 46 A G G < S+ 0 0 61 -3,-0.7 -2,-0.2 1,-0.3 3,-0.1 0.565 105.3 49.6 -66.2 -9.6 30.0 26.5 3.1 46 47 A Y G < S+ 0 0 19 -3,-2.3 117,-0.4 -4,-0.3 -1,-0.3 0.247 95.8 70.8-111.8 8.9 27.1 28.9 2.6 47 48 A L X> + 0 0 0 -3,-1.6 4,-2.3 -4,-0.2 3,-1.8 0.439 63.7 104.8-103.0 -1.4 28.9 31.5 0.5 48 49 A G T 34 + 0 0 43 1,-0.3 -1,-0.1 -4,-0.3 -2,-0.1 0.612 67.8 65.5 -62.1 -20.3 29.3 29.5 -2.7 49 50 A E T 34 S+ 0 0 90 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.796 123.3 15.9 -68.1 -28.8 26.5 31.2 -4.7 50 51 A K T <4 S+ 0 0 29 -3,-1.8 36,-2.7 1,-0.2 2,-0.4 0.565 125.8 48.7-122.7 -18.7 28.6 34.5 -4.7 51 52 A I B < S-E 85 0B 1 -4,-2.3 2,-1.6 34,-0.2 -1,-0.2 -0.995 72.2-130.2-133.1 131.8 32.1 33.5 -3.7 52 53 A D > + 0 0 73 32,-2.9 4,-2.2 -2,-0.4 5,-0.1 -0.654 33.8 178.8 -76.9 88.9 34.4 30.8 -5.0 53 54 A V H > S+ 0 0 21 -2,-1.6 4,-2.8 2,-0.2 5,-0.2 0.866 73.9 56.2 -68.5 -38.1 35.2 29.5 -1.5 54 55 A N H > S+ 0 0 134 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.937 112.6 43.7 -56.5 -46.5 37.5 26.6 -2.7 55 56 A G H >4 S+ 0 0 21 2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.893 112.3 54.1 -62.6 -42.1 39.6 29.2 -4.6 56 57 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.932 109.7 44.6 -59.8 -49.8 39.5 31.6 -1.6 57 58 A L H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.523 105.9 64.3 -76.6 -5.3 40.8 29.1 0.9 58 59 A S T << S+ 0 0 79 -3,-0.7 -1,-0.3 -4,-0.5 2,-0.2 0.449 73.5 117.9 -93.1 -4.1 43.5 28.0 -1.6 59 60 A I < - 0 0 9 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.0 -0.470 65.7-130.1 -64.9 130.0 45.1 31.4 -1.6 60 61 A K + 0 0 140 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.761 26.6 179.8 -92.5 120.8 48.7 31.1 -0.3 61 62 A I - 0 0 15 -2,-0.6 2,-0.2 2,-0.1 7,-0.1 -0.943 19.7-166.4-119.7 104.7 49.8 33.4 2.5 62 63 A E + 0 0 150 -2,-0.5 9,-0.2 5,-0.1 2,-0.1 -0.524 30.8 21.2 -97.5 155.8 53.4 32.6 3.4 63 64 A G S S- 0 0 35 -2,-0.2 -2,-0.1 4,-0.1 5,-0.0 -0.446 89.1 -17.2 105.2-165.8 55.8 33.5 6.2 64 65 A S S > S- 0 0 53 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.154 74.6 -93.6 -67.1 171.7 55.7 34.6 9.8 65 66 A L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 128.6 52.1 -52.4 -48.4 52.6 36.2 11.4 66 67 A E H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 110.8 47.4 -58.8 -40.0 53.9 39.7 10.5 67 68 A E H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 110.8 51.8 -68.9 -38.2 54.4 38.6 6.9 68 69 A K H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 108.9 50.7 -64.3 -42.8 51.0 37.0 6.7 69 70 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.919 109.8 49.7 -61.1 -45.4 49.4 40.3 8.1 70 71 A K H < S+ 0 0 77 -4,-2.0 4,-0.4 1,-0.2 3,-0.2 0.898 112.1 49.3 -59.3 -40.3 51.2 42.3 5.4 71 72 A A H >< S+ 0 0 25 -4,-2.1 3,-1.3 1,-0.2 6,-0.4 0.920 106.4 55.4 -65.1 -43.1 50.0 39.9 2.8 72 73 A L H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 112.4 41.9 -63.9 -27.9 46.4 40.0 4.0 73 74 A I T 3< S+ 0 0 41 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.426 93.9 116.5 -95.5 -0.9 46.3 43.9 3.6 74 75 A S S <> S- 0 0 28 -3,-1.3 4,-2.1 -4,-0.4 5,-0.1 -0.300 72.1-128.4 -73.8 149.2 48.1 43.9 0.3 75 76 A P H > S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 109.9 60.4 -58.8 -37.1 46.7 45.1 -3.1 76 77 A K H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.923 108.2 41.5 -55.8 -49.4 47.8 41.7 -4.6 77 78 A V H > S+ 0 0 4 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.888 111.8 55.2 -70.9 -37.5 45.6 39.7 -2.2 78 79 A S H X S+ 0 0 64 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.903 109.9 47.6 -59.5 -41.2 42.7 42.1 -2.5 79 80 A R H X S+ 0 0 135 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.901 110.4 52.1 -64.9 -42.8 42.8 41.6 -6.3 80 81 A Q H < S+ 0 0 57 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.905 111.7 46.4 -58.1 -44.7 43.0 37.8 -5.8 81 82 A I H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.915 108.2 55.8 -65.3 -44.5 39.9 37.9 -3.6 82 83 A G H >< S+ 0 0 10 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.868 102.0 57.6 -55.5 -39.3 38.0 40.2 -6.0 83 84 A R T 3< S+ 0 0 198 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.659 103.3 54.2 -66.8 -16.5 38.6 37.6 -8.8 84 85 A L T < S+ 0 0 30 -3,-1.6 -32,-2.9 -4,-0.4 2,-0.6 0.395 88.2 94.3 -98.8 1.5 36.8 35.0 -6.7 85 86 A V B < -E 51 0B 10 -3,-1.5 2,-1.7 -4,-0.3 -34,-0.2 -0.861 66.7-148.0-101.0 119.4 33.7 37.1 -6.2 86 87 A M + 0 0 88 -36,-2.7 2,-0.3 -2,-0.6 -3,-0.1 -0.554 59.2 108.3 -87.0 74.3 30.9 36.4 -8.7 87 88 A E - 0 0 28 -2,-1.7 -2,-0.1 1,-0.1 -37,-0.0 -0.976 43.8-172.8-152.7 136.1 29.4 39.9 -8.8 88 89 A D + 0 0 162 -2,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.743 62.9 95.4 -98.2 -33.1 29.4 42.6 -11.5 89 90 A D > - 0 0 82 1,-0.1 4,-2.9 2,-0.0 5,-0.2 -0.487 69.5-144.3 -66.7 122.9 27.8 45.5 -9.5 90 91 A K H > S+ 0 0 180 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.871 96.6 45.6 -56.9 -44.6 30.7 47.6 -8.0 91 92 A K H > S+ 0 0 157 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 116.5 43.3 -67.3 -48.4 28.9 48.4 -4.8 92 93 A L H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.863 110.3 57.0 -67.7 -36.9 27.7 44.8 -4.1 93 94 A K H X S+ 0 0 75 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.907 103.2 54.3 -59.9 -42.7 31.1 43.4 -5.1 94 95 A K H X S+ 0 0 164 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.898 107.3 51.2 -57.7 -43.2 32.8 45.5 -2.4 95 96 A L H X S+ 0 0 37 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.906 113.3 44.2 -60.6 -43.8 30.4 44.1 0.2 96 97 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.843 107.9 57.8 -73.8 -35.6 31.2 40.5 -0.8 97 98 A V H X S+ 0 0 25 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.905 105.8 50.8 -58.7 -42.3 34.9 41.1 -1.0 98 99 A E H X S+ 0 0 74 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.895 110.7 49.0 -64.0 -39.3 35.0 42.3 2.6 99 100 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.944 112.6 47.1 -61.2 -50.4 33.1 39.1 3.6 100 101 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.893 110.2 53.7 -58.8 -42.1 35.5 36.9 1.7 101 102 A K H X S+ 0 0 59 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.882 107.2 50.9 -60.8 -40.5 38.4 38.8 3.2 102 103 A A H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.868 110.5 49.3 -65.6 -37.5 37.1 38.0 6.7 103 104 A V H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.943 114.3 44.8 -65.2 -48.4 36.8 34.3 5.9 104 105 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.920 111.3 53.6 -61.8 -45.6 40.3 34.2 4.6 105 106 A T H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.916 109.6 47.8 -57.7 -46.0 41.7 36.2 7.5 106 107 A R H X S+ 0 0 9 -4,-2.0 4,-1.8 129,-0.2 -1,-0.2 0.938 114.9 45.0 -60.1 -48.1 40.2 33.8 10.1 107 108 A E H < S+ 0 0 56 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.887 115.6 46.5 -68.3 -37.6 41.4 30.7 8.3 108 109 A I H < S+ 0 0 35 -4,-2.8 3,-0.2 -5,-0.2 -1,-0.2 0.854 123.0 33.3 -70.4 -34.9 45.0 32.1 7.7 109 110 A L H >X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 3,-1.9 0.587 87.2 93.6-102.0 -11.5 45.4 33.4 11.3 110 111 A K T 3< S+ 0 0 55 -4,-1.8 5,-0.4 1,-0.3 6,-0.3 0.743 93.9 42.6 -62.7 -25.1 43.5 31.0 13.6 111 112 A N T 34 S+ 0 0 150 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.472 117.6 48.1 -93.7 -3.2 46.6 28.9 14.3 112 113 A E T <4 S+ 0 0 64 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.654 120.4 22.3-102.7 -26.6 48.8 32.1 14.7 113 114 A L S < S- 0 0 10 -4,-2.2 2,-2.2 -48,-0.0 3,-0.4 -0.926 90.3 -92.4-140.2 159.0 46.6 34.1 17.0 114 115 A P + 0 0 29 0, 0.0 111,-0.2 0, 0.0 112,-0.2 -0.527 69.7 137.7 -75.7 80.1 43.7 33.5 19.6 115 116 A I + 0 0 1 -2,-2.2 2,-0.1 -5,-0.4 -5,-0.1 0.900 55.8 59.1 -90.5 -56.2 41.0 34.0 16.9 116 117 A E S S- 0 0 46 -3,-0.4 3,-0.1 -6,-0.3 -82,-0.1 -0.463 92.4-117.1 -67.0 147.1 38.7 31.2 17.9 117 118 A F > - 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0 0 132 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.919 41.2-179.8 47.1 52.1 33.6 40.9 32.3 183 184 A V < - 0 0 8 -5,-2.4 2,-1.7 -6,-0.1 -1,-0.2 -0.742 28.5-137.6 -82.2 124.3 36.1 41.9 29.6 184 185 A D > + 0 0 74 -2,-0.5 4,-1.5 1,-0.2 3,-0.2 -0.627 32.6 170.2 -81.8 83.0 37.1 45.5 29.8 185 186 A D H > S+ 0 0 73 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.795 71.5 61.3 -69.4 -28.4 36.9 46.2 26.1 186 187 A K H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 104.8 48.4 -61.4 -45.3 37.3 50.0 26.6 187 188 A K H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 110.1 52.5 -61.2 -40.3 40.7 49.4 28.2 188 189 A I H X S+ 0 0 6 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.901 107.9 50.8 -63.8 -42.7 41.7 47.1 25.3 189 190 A V H >< S+ 0 0 65 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.950 112.8 45.9 -59.0 -47.3 40.7 49.8 22.7 190 191 A E H >< S+ 0 0 115 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.852 102.8 64.7 -68.2 -32.5 42.8 52.3 24.6 191 192 A Y H 3< S+ 0 0 75 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.869 109.9 38.5 -53.8 -40.0 45.8 49.9 24.8 192 193 A F T X< S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.6 -1,-0.3 0.272 83.8 113.5 -94.9 10.0 46.1 49.9 21.0 193 194 A G T < + 0 0 52 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.602 61.2 70.9 -62.4 -14.9 45.3 53.6 20.7 194 195 A G T 3 S+ 0 0 72 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.363 93.1 69.9 -81.6 3.9 48.8 54.5 19.5 195 196 A F < + 0 0 27 -3,-1.7 2,-0.3 12,-0.0 3,-0.0 -0.960 52.4 166.6-126.1 142.2 48.1 52.8 16.1 196 197 A K - 0 0 164 -2,-0.4 35,-0.1 1,-0.1 36,-0.1 -0.950 68.7 -5.8-154.0 133.5 45.8 53.8 13.2 197 198 A K S S- 0 0 157 -2,-0.3 2,-0.3 1,-0.2 35,-0.2 0.922 79.0-156.8 47.6 57.5 45.6 52.5 9.6 198 199 A V + 0 0 2 33,-2.7 -1,-0.2 1,-0.2 -3,-0.0 -0.504 36.0 142.9 -71.7 122.6 48.7 50.2 10.0 199 200 A K + 0 0 152 -2,-0.3 -1,-0.2 -125,-0.0 2,-0.1 0.638 39.4 88.5-128.8 -38.3 50.3 49.4 6.7 200 201 A K S > S- 0 0 104 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.414 73.5-126.9 -76.9 145.1 54.1 49.4 7.0 201 202 A E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.856 110.3 55.3 -53.1 -42.4 56.1 46.2 8.0 202 203 A E H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 110.7 43.8 -60.3 -42.6 57.8 48.1 10.8 203 204 A E H > S+ 0 0 41 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.825 109.8 55.4 -75.6 -34.3 54.5 49.1 12.4 204 205 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.927 108.2 50.3 -59.0 -46.5 53.0 45.7 11.9 205 206 A K H X S+ 0 0 136 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 111.5 48.6 -56.0 -47.3 55.9 44.3 13.9 206 207 A E H X S+ 0 0 108 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.899 112.0 46.7 -62.3 -43.5 55.3 46.9 16.6 207 208 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.869 110.9 51.7 -73.2 -33.8 51.6 46.2 17.0 208 209 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.930 110.7 49.6 -63.6 -44.2 52.0 42.4 17.1 209 210 A Q H X S+ 0 0 96 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.920 109.5 51.1 -60.1 -44.6 54.6 42.9 19.8 210 211 A L H < S+ 0 0 39 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.912 109.9 50.4 -59.9 -42.3 52.2 45.1 21.7 211 212 A F H >< S+ 0 0 17 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.920 107.9 52.9 -59.1 -44.7 49.6 42.5 21.4 212 213 A R H 3< S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.3 52.5 -63.5 -28.1 52.0 39.8 22.7 213 214 A E T 3< S+ 0 0 87 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.3 0.480 81.1 119.1 -84.4 -4.3 52.7 41.9 25.8 214 215 A F < - 0 0 34 -3,-1.5 2,-0.7 -4,-0.4 -3,-0.0 -0.501 58.0-145.6 -69.2 121.7 49.0 42.3 26.6 215 216 A K + 0 0 173 -2,-0.4 2,-0.3 5,-0.0 -1,-0.1 -0.810 45.8 117.2 -93.3 115.3 48.3 40.8 30.0 216 217 A G - 0 0 35 -2,-0.7 -2,-0.0 3,-0.0 2,-0.0 -0.976 58.0 -94.0-168.1 163.7 44.9 39.2 30.1 217 218 A N > - 0 0 79 -2,-0.3 4,-2.1 1,-0.1 0, 0.0 -0.093 57.2 -78.2 -78.6-176.7 43.0 36.0 30.5 218 219 A E H > S+ 0 0 102 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.778 130.6 40.4 -57.6 -32.8 41.8 33.5 27.9 219 220 A F H >> S+ 0 0 18 2,-0.2 4,-1.0 1,-0.1 3,-0.8 0.913 110.8 55.3 -82.6 -44.2 38.8 35.7 26.9 220 221 A E H 3> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.828 102.0 58.6 -56.6 -36.7 40.4 39.1 27.1 221 222 A V H 3X S+ 0 0 29 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.805 97.9 59.5 -67.2 -30.4 43.1 38.0 24.6 222 223 A R H < S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.937 112.3 47.6 -58.3 -47.9 45.0 44.6 17.0 229 230 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.4 1,-0.2 3,-1.5 0.848 102.7 63.1 -62.2 -35.5 43.7 43.3 13.7 230 231 A S H ><5S+ 0 0 55 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.806 93.6 62.8 -61.2 -29.3 41.2 46.2 13.4 231 232 A K T <<5S+ 0 0 43 -4,-1.1 -33,-2.7 -3,-0.7 -1,-0.3 0.695 105.7 45.9 -70.2 -19.7 44.1 48.7 13.2 232 233 A L T < 5S- 0 0 14 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.363 122.3-108.5 -96.5 -0.5 45.1 46.9 10.0 233 234 A G T < 5S+ 0 0 50 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.710 75.5 139.4 76.8 22.1 41.5 47.0 8.7 234 235 A L < - 0 0 4 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.767 32.8-168.3-102.0 146.0 41.3 43.2 9.2 235 236 A K - 0 0 87 -2,-0.3 -129,-0.2 -137,-0.1 -130,-0.2 -0.963 20.8-174.4-130.0 148.6 38.4 41.3 10.6 236 237 A V S S+ 0 0 6 -2,-0.3 2,-0.5 -131,-0.1 -1,-0.1 0.374 75.2 72.7-118.4 -3.4 37.9 37.7 11.7 237 238 A D S S- 0 0 29 -11,-0.1 -1,-0.1 -131,-0.0 -134,-0.1 -0.972 89.9-119.2-111.8 122.1 34.2 37.9 12.3 238 239 A V - 0 0 10 -2,-0.5 2,-0.8 1,-0.1 -67,-0.1 -0.403 27.0-121.8 -60.2 125.0 32.1 38.0 9.1 239 240 A P >> - 0 0 7 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.612 21.3-163.9 -74.4 108.3 30.1 41.2 8.9 240 241 A S H 3> S+ 0 0 9 -2,-0.8 4,-2.4 1,-0.3 3,-0.5 0.832 84.3 67.0 -61.5 -32.9 26.4 40.1 8.7 241 242 A K H 3> S+ 0 0 145 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.826 94.3 58.2 -59.4 -33.0 25.3 43.6 7.6 242 243 A N H <> S+ 0 0 5 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.908 110.3 42.3 -61.8 -41.0 27.3 43.1 4.3 243 244 A L H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.5 -2,-0.2 0.858 112.5 54.4 -74.7 -35.8 25.2 40.0 3.5 244 245 A E H X S+ 0 0 96 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.931 109.7 47.3 -58.4 -49.3 22.0 41.7 4.7 245 246 A K H < S+ 0 0 117 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.852 111.4 50.8 -65.5 -37.2 22.7 44.6 2.3 246 247 A Y H < S+ 0 0 49 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.935 109.6 50.0 -62.5 -47.0 23.4 42.3 -0.6 247 248 A L H < 0 0 66 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.707 360.0 360.0 -69.5 -21.5 20.2 40.3 -0.1 248 249 A E < 0 0 157 -4,-1.3 -3,-0.0 -5,-0.1 -4,-0.0 -0.395 360.0 360.0 -63.2 360.0 18.1 43.5 0.0