==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-NOV-05 2F4Q . COMPND 2 MOLECULE: TYPE I TOPOISOMERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.PATEL,S.SHUMAN,A.MONDRAGON . 309 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 69.3 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 . 39 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 1 2 0 0 0 2 1 0 0 1 0 0 0 1 1 0 0 1 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 . 2 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 72 0, 0.0 94,-0.3 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 166.7 37.3 16.7 28.8 2 3 A S > - 0 0 20 93,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.327 360.0-100.3 -75.2 168.7 33.8 18.3 28.4 3 4 A R H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 123.0 44.6 -57.0 -50.6 33.4 21.3 26.1 4 5 A T H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.841 113.1 51.8 -67.8 -33.8 33.5 23.9 28.9 5 6 A E H > S+ 0 0 112 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.877 110.3 49.2 -65.5 -40.6 36.5 22.2 30.5 6 7 A L H < S+ 0 0 49 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.881 115.6 43.2 -64.7 -40.3 38.3 22.3 27.1 7 8 A L H >X S+ 0 0 16 -4,-2.2 4,-3.1 1,-0.2 3,-1.6 0.695 99.5 72.9 -78.8 -21.0 37.4 26.0 26.7 8 9 A A H 3< S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 92.3 56.2 -65.9 -25.5 38.3 26.8 30.4 9 10 A E T 3< S+ 0 0 161 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.454 120.0 32.1 -81.7 -2.1 42.0 26.4 29.5 10 11 A E T <4 S+ 0 0 102 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.671 102.2 84.2-121.9 -38.7 41.6 29.0 26.8 11 12 A Y S < S- 0 0 9 -4,-3.1 2,-0.3 1,-0.1 30,-0.2 -0.228 80.3-101.8 -79.5 160.0 38.9 31.5 28.0 12 13 A L E -A 40 0A 31 28,-2.7 28,-3.2 1,-0.0 2,-0.5 -0.645 34.4-134.1 -79.9 133.6 39.1 34.6 30.2 13 14 A R E -AB 39 20A 110 7,-2.8 7,-1.5 -2,-0.3 2,-0.3 -0.793 13.3-131.2 -95.3 126.3 38.0 34.0 33.8 14 15 A R E B 0 19A 47 24,-3.1 24,-0.3 -2,-0.5 5,-0.2 -0.594 360.0 360.0 -76.2 131.3 35.7 36.6 35.4 15 16 A E 0 0 108 3,-3.4 3,-1.7 -2,-0.3 -1,-0.0 -0.886 360.0 360.0-113.1 360.0 36.8 37.7 38.9 16 ! 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 17 20 A P 0 0 170 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 86.6 34.4 43.1 38.3 18 21 A Q - 0 0 128 -3,-1.7 -3,-3.4 -5,-0.0 2,-0.3 -0.881 360.0-133.9-129.1 154.8 37.6 42.2 36.4 19 22 A K E -B 14 0A 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.814 22.8-179.4-109.4 147.1 38.8 39.8 33.7 20 23 A F E B 13 0A 142 -7,-1.5 -7,-2.8 -2,-0.3 -2,-0.0 -0.995 360.0 360.0-147.7 150.7 41.9 37.6 33.8 21 24 A R 0 0 246 -2,-0.3 -1,-0.1 -9,-0.2 -2,-0.0 0.653 360.0 360.0 -75.1 360.0 43.7 35.0 31.6 22 ! 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 23 39 A L > 0 0 196 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -51.9 36.7 45.2 25.7 24 40 A A H > + 0 0 55 1,-0.2 4,-1.5 2,-0.2 0, 0.0 0.608 360.0 77.5 -83.4 -15.4 33.1 46.6 25.6 25 41 A R H > S+ 0 0 56 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.867 91.3 52.0 -59.8 -41.2 32.0 43.4 23.8 26 42 A I H >4 S+ 0 0 18 -3,-0.2 3,-0.6 1,-0.2 4,-0.4 0.889 107.6 51.9 -63.5 -41.9 32.0 41.5 27.1 27 43 A A H >< S+ 0 0 80 -4,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.810 102.2 60.3 -66.2 -32.0 29.8 44.1 28.8 28 44 A R H 3< S+ 0 0 188 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.765 91.8 68.0 -66.4 -27.7 27.3 43.9 26.0 29 45 A L T << S- 0 0 25 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.746 90.8-149.3 -64.0 -25.7 26.7 40.2 26.7 30 46 A A < - 0 0 72 -3,-0.9 -3,-0.1 -4,-0.4 -2,-0.1 0.929 16.3-168.8 51.3 54.3 25.1 41.2 30.1 31 47 A V - 0 0 17 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.648 34.6-103.1 -73.7 117.6 26.2 38.0 31.9 32 48 A P > - 0 0 35 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.155 25.6-137.8 -48.4 125.6 24.3 38.0 35.2 33 49 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.778 98.0 64.3 -60.5 -30.1 26.7 39.1 38.0 34 50 A A T 3 S+ 0 0 83 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.539 78.9 112.9 -72.6 -7.0 25.5 36.4 40.4 35 51 A Y < - 0 0 51 -3,-1.8 3,-0.3 1,-0.1 2,-0.3 -0.393 62.4-131.9 -70.2 143.2 26.7 33.6 38.1 36 52 A Q E S+ C 0 53A 105 17,-2.6 17,-2.9 1,-0.2 -1,-0.1 -0.687 73.5 6.9-103.5 152.5 29.7 31.4 39.3 37 53 A D E S- 0 0 82 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.914 81.3-171.1 45.6 56.9 32.9 30.4 37.6 38 54 A V E - 0 0 3 -3,-0.3 -24,-3.1 -24,-0.3 2,-0.4 -0.663 10.9-169.3 -84.5 121.7 32.2 32.6 34.6 39 55 A Y E -AC 13 51A 37 12,-2.8 12,-2.7 -2,-0.5 2,-0.3 -0.938 4.4-169.6-109.6 135.3 34.4 32.2 31.5 40 56 A V E -AC 12 50A 1 -28,-3.2 -28,-2.7 -2,-0.4 10,-0.3 -0.940 28.1-100.4-126.3 146.3 34.2 34.7 28.7 41 57 A S - 0 0 0 8,-3.4 -30,-0.1 -2,-0.3 8,-0.1 -0.434 16.3-164.1 -71.5 131.9 35.8 34.6 25.2 42 58 A P S S+ 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.637 80.4 72.0 -80.4 -18.5 39.0 36.5 24.5 43 59 A D S > S- 0 0 69 1,-0.1 3,-0.7 6,-0.1 -2,-0.1 -0.881 72.5-151.9-102.4 127.8 38.3 36.0 20.8 44 60 A A T 3 S+ 0 0 47 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.686 91.6 61.9 -70.2 -19.6 35.4 38.0 19.3 45 61 A E T 3 S+ 0 0 111 19,-0.1 -1,-0.2 3,-0.0 19,-0.1 0.741 73.4 114.4 -81.1 -26.0 34.7 35.3 16.6 46 62 A N < - 0 0 30 -3,-0.7 18,-0.1 1,-0.1 -5,-0.1 -0.163 61.5-143.8 -51.5 134.1 33.8 32.5 19.0 47 63 A E S S+ 0 0 32 1,-0.2 17,-2.1 16,-0.1 2,-0.8 0.864 96.2 57.6 -67.4 -39.5 30.2 31.3 18.7 48 64 A L E + D 0 63A 3 15,-0.2 15,-0.2 1,-0.2 -1,-0.2 -0.864 67.3 171.6 -93.3 105.4 30.1 30.7 22.5 49 65 A Q E + 0 0 2 13,-1.8 -8,-3.4 -2,-0.8 2,-0.3 0.794 62.2 6.3 -88.6 -33.2 31.0 34.1 23.9 50 66 A A E +CD 40 62A 0 12,-2.0 12,-2.5 -10,-0.3 2,-0.3 -0.993 57.4 178.8-149.9 146.1 30.4 33.4 27.6 51 67 A F E +CD 39 61A 7 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.3 -0.985 15.4 143.0-143.2 154.0 29.5 30.5 29.9 52 68 A G E - D 0 60A 2 8,-1.6 8,-2.6 -2,-0.3 2,-0.4 -0.958 45.7 -85.7-169.8 178.3 29.0 30.1 33.7 53 69 A R E -CD 36 59A 104 -17,-2.9 -17,-2.6 -2,-0.3 6,-0.2 -0.860 35.1-146.6-104.3 134.2 27.0 28.5 36.4 54 70 A D > - 0 0 28 4,-2.4 3,-1.5 -2,-0.4 -18,-0.2 -0.070 42.9 -79.3 -83.5-167.0 23.6 29.8 37.6 55 71 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.564 131.6 51.0 -75.4 -9.0 22.2 29.7 41.2 56 72 A A T 3 S- 0 0 65 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.193 121.6-104.3-108.6 12.3 21.1 26.0 40.7 57 73 A G S < S+ 0 0 33 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.775 75.4 141.4 69.3 29.2 24.6 24.9 39.4 58 74 A R - 0 0 157 1,-0.0 -4,-2.4 0, 0.0 -1,-0.2 -0.821 56.2-108.8-104.4 142.0 23.4 24.8 35.8 59 75 A L E -D 53 0A 21 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.437 35.4-170.0 -66.5 136.7 25.4 25.9 32.8 60 76 A Q E -D 52 0A 57 -8,-2.6 -8,-1.6 -2,-0.1 2,-0.3 -0.976 3.6-155.4-131.2 146.1 24.3 29.1 31.1 61 77 A Y E -D 51 0A 20 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.905 16.2-163.7-128.5 146.7 25.5 30.5 27.8 62 78 A R E -D 50 0A 95 -12,-2.5 -12,-2.0 -2,-0.3 -13,-1.8 -1.000 25.1-156.4-123.5 128.9 25.7 33.8 25.9 63 79 A Y E -D 48 0A 53 -2,-0.4 -15,-0.2 -15,-0.2 -16,-0.1 -0.591 30.3 -80.5-103.5 163.1 26.3 33.5 22.2 64 80 A H > - 0 0 24 -17,-2.1 3,-2.3 -2,-0.2 4,-0.4 -0.363 45.9-118.1 -51.3 134.5 27.8 35.7 19.5 65 81 A P G >> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 3,-1.2 0.764 110.1 73.9 -51.5 -28.3 25.1 38.3 18.5 66 82 A D G 34 S+ 0 0 45 1,-0.3 6,-0.4 2,-0.2 7,-0.2 0.715 97.9 47.8 -57.7 -22.5 25.2 36.8 14.9 67 83 A F G <4 S+ 0 0 35 -3,-2.3 -1,-0.3 -20,-0.1 4,-0.1 0.570 116.9 40.4 -96.0 -11.7 23.3 33.8 16.3 68 84 A V T <4 S+ 0 0 103 -3,-1.2 2,-0.2 -4,-0.4 -2,-0.2 0.610 95.5 92.5-107.8 -21.9 20.6 35.8 18.2 69 85 A Q S >< S- 0 0 107 -4,-2.5 3,-1.4 1,-0.1 2,-0.6 -0.565 91.1-100.7 -76.5 138.5 20.1 38.5 15.5 70 86 A A T 3 S- 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.452 98.2 -15.9 -66.4 107.9 17.3 37.9 13.1 71 87 A G T 3 S+ 0 0 80 -2,-0.6 -1,-0.3 -4,-0.1 -4,-0.1 0.862 86.5 145.7 67.1 40.7 18.8 36.6 9.8 72 88 A A < + 0 0 33 -3,-1.4 2,-0.4 -6,-0.4 -2,-0.1 0.752 58.5 53.9 -78.4 -25.7 22.4 37.7 10.7 73 89 A L S S- 0 0 36 -4,-0.3 -1,-0.1 -7,-0.2 2,-0.1 -0.937 73.4-136.3-120.6 131.9 24.0 34.7 8.9 74 90 A K > - 0 0 140 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.371 38.9-106.2 -66.4 158.6 23.8 33.4 5.4 75 91 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 122.5 52.8 -59.1 -40.4 23.5 29.6 5.3 76 92 A W H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 108.8 51.0 -63.4 -34.5 27.1 29.3 4.0 77 93 A Q H > S+ 0 0 63 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.923 110.7 47.3 -66.6 -45.8 28.2 31.4 7.0 78 94 A R H X S+ 0 0 65 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 112.3 51.1 -61.9 -41.6 26.4 29.3 9.5 79 95 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.880 107.6 50.7 -67.2 -38.6 27.8 26.1 7.9 80 96 A T H X S+ 0 0 17 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.912 112.7 47.4 -65.9 -40.2 31.5 27.3 8.0 81 97 A R H X S+ 0 0 35 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.897 109.4 54.1 -65.4 -39.3 31.1 28.2 11.7 82 98 A F H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.9 0.929 105.0 53.3 -58.6 -46.0 29.5 24.8 12.3 83 99 A A H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.872 104.1 57.5 -57.0 -37.6 32.5 23.1 10.7 84 100 A G H 3< S+ 0 0 38 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.688 106.2 50.4 -63.3 -20.7 34.6 25.1 13.2 85 101 A A H S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.943 111.3 46.9 -55.7 -46.4 36.5 19.1 16.3 88 104 A T H > S+ 0 0 33 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.884 109.1 54.8 -61.6 -43.1 35.3 20.3 19.8 89 105 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.913 105.6 53.3 -52.8 -46.0 32.2 18.1 19.4 90 106 A K H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.899 110.1 47.3 -59.7 -42.7 34.4 15.1 18.7 91 107 A V H X S+ 0 0 56 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.934 113.4 48.4 -61.4 -48.3 36.4 15.7 21.9 92 108 A A H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.886 112.6 45.7 -63.7 -44.4 33.2 16.2 24.0 93 109 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.880 110.2 54.3 -69.5 -38.3 31.4 13.0 22.8 94 110 A T H X S+ 0 0 42 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.896 104.5 55.4 -59.6 -42.6 34.6 10.9 23.2 95 111 A A H < S+ 0 0 36 -4,-1.9 3,-0.3 -94,-0.3 -1,-0.2 0.915 113.1 41.7 -55.9 -43.3 34.9 12.0 26.8 96 112 A D H >< S+ 0 0 23 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.787 110.1 57.4 -76.0 -28.5 31.3 10.8 27.5 97 113 A L H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.685 94.5 66.1 -76.7 -19.7 31.8 7.6 25.4 98 114 A R T 3< S+ 0 0 209 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.560 79.0 111.0 -78.5 -8.5 34.7 6.4 27.6 99 115 A A S < S- 0 0 39 -3,-0.8 2,-0.2 -4,-0.2 -3,-0.0 -0.287 76.7-105.1 -63.6 150.7 32.3 6.1 30.5 100 116 A S S S- 0 0 119 2,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.566 76.9 -13.1 -82.7 141.8 31.6 2.5 31.8 101 117 A G S S- 0 0 40 -2,-0.2 82,-0.1 1,-0.2 68,-0.1 -0.456 110.0 -45.0 76.4-139.0 28.2 0.8 31.0 102 118 A L B +E 182 0B 14 80,-0.6 80,-1.5 -2,-0.2 -1,-0.2 -0.421 67.2 165.7-131.6 62.8 25.3 2.8 29.7 103 119 A P >> - 0 0 42 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.362 52.0-100.7 -73.3 159.4 25.0 6.1 31.7 104 120 A P H 3> S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 120.4 49.3 -49.5 -48.2 22.8 8.9 30.2 105 121 A R H 3> S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.825 109.5 52.3 -64.7 -33.7 25.6 11.0 28.8 106 122 A K H <> S+ 0 0 15 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.908 111.3 46.5 -66.2 -43.0 27.2 8.0 27.1 107 123 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.889 114.0 48.4 -67.6 -38.4 23.9 7.0 25.4 108 124 A X H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.869 109.4 52.5 -69.8 -34.3 23.4 10.7 24.3 109 125 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 109.9 49.4 -63.4 -43.4 27.0 10.8 23.0 110 126 A L H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 112.5 47.6 -58.3 -47.0 26.3 7.7 21.0 111 127 A X H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 110.4 52.1 -61.3 -43.2 23.0 9.3 19.7 112 128 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.907 107.3 52.3 -61.7 -43.4 24.9 12.5 18.8 113 129 A R H X S+ 0 0 69 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.878 109.8 49.8 -58.4 -38.6 27.5 10.6 16.9 114 130 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 6,-0.6 0.885 107.3 53.2 -69.5 -40.7 24.6 9.0 14.9 115 131 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 4,-0.2 -2,-0.2 0.917 115.7 43.0 -56.1 -43.0 23.0 12.4 14.2 116 132 A H H < S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.976 121.8 34.1 -67.8 -57.7 26.4 13.5 12.8 117 133 A V H < S+ 0 0 75 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.767 132.0 28.8 -74.2 -28.1 27.4 10.4 10.8 118 134 A A H < S- 0 0 6 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.477 94.0-130.5-118.0 -4.8 24.0 9.3 9.6 119 135 A R < + 0 0 43 -4,-1.1 -4,-0.2 -5,-0.5 -3,-0.1 0.790 42.5 172.1 65.0 31.0 22.0 12.6 9.5 120 136 A F - 0 0 1 -6,-0.6 2,-0.2 1,-0.1 -1,-0.2 -0.346 34.5-118.7 -66.3 150.9 19.0 11.3 11.4 121 137 A R 0 0 54 4,-0.1 6,-2.9 1,-0.1 7,-0.2 -0.576 360.0 360.0 -75.0 155.2 16.2 13.6 12.6 122 138 A V 0 0 37 4,-0.2 6,-2.3 -2,-0.2 7,-0.3 0.907 360.0 360.0 -75.9 360.0 15.8 13.6 16.4 123 ! 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 0.0 124 149 A T 0 0 113 0, 0.0 2,-0.3 0, 0.0 24,-0.3 0.000 360.0 360.0 360.0 157.0 6.8 6.9 12.2 125 150 A Y - 0 0 54 22,-2.3 24,-0.3 6,-0.0 2,-0.2 -0.911 360.0-171.7-140.4 155.4 10.1 7.4 13.9 126 151 A G > - 0 0 10 -2,-0.3 3,-1.4 -4,-0.2 4,-0.4 -0.766 56.2 -79.0-130.2-177.1 13.2 9.5 14.5 127 152 A L G > S+ 0 0 0 -6,-2.9 3,-1.3 1,-0.3 52,-0.2 0.909 129.0 49.2 -52.2 -48.1 16.4 8.7 16.3 128 153 A S G 3 S+ 0 0 10 -6,-2.3 -1,-0.3 1,-0.3 51,-0.1 0.601 113.8 47.2 -71.1 -10.1 15.0 9.2 19.8 129 154 A T G < S+ 0 0 47 -3,-1.4 -1,-0.3 -7,-0.3 -2,-0.2 0.261 80.6 133.9-116.0 10.6 12.0 7.0 19.1 130 155 A L < - 0 0 1 -3,-1.3 48,-2.2 -4,-0.4 49,-0.5 -0.277 42.8-147.6 -60.0 144.8 13.8 4.1 17.5 131 156 A R B > -G 177 0C 73 46,-0.3 3,-2.0 47,-0.1 46,-0.3 -0.712 29.4-103.7-110.5 163.4 12.8 0.6 18.6 132 157 A Q G > S+ 0 0 40 44,-3.1 3,-1.3 1,-0.3 45,-0.1 0.802 118.8 63.8 -60.8 -28.5 15.1 -2.4 18.8 133 158 A R G 3 S+ 0 0 170 43,-0.3 -1,-0.3 1,-0.2 44,-0.1 0.692 90.8 69.0 -64.9 -18.6 13.5 -3.8 15.6 134 159 A H G < S+ 0 0 5 -3,-2.0 11,-2.3 10,-0.1 2,-0.4 0.477 95.0 60.1 -83.9 -3.8 14.9 -0.8 13.7 135 160 A V E < -H 144 0D 8 -3,-1.3 2,-0.4 9,-0.2 9,-0.2 -0.986 56.6-172.5-130.8 134.5 18.6 -1.8 14.1 136 161 A V E -H 143 0D 93 7,-2.3 7,-2.7 -2,-0.4 2,-0.5 -0.997 11.3-156.3-123.4 127.4 20.5 -4.9 12.9 137 162 A V E +H 142 0D 28 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.916 14.8 174.0-106.0 125.1 24.1 -5.5 14.0 138 163 A D E > -H 141 0D 95 3,-2.7 3,-2.5 -2,-0.5 2,-0.2 -0.942 66.1 -57.2-131.1 105.8 26.3 -7.7 11.9 139 164 A G T 3 S- 0 0 65 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.404 122.2 -16.7 56.6-120.1 29.9 -7.7 13.1 140 165 A N T 3 S+ 0 0 88 -2,-0.2 20,-2.1 -3,-0.1 2,-0.5 0.425 117.9 99.3 -93.0 0.6 31.0 -4.1 13.0 141 166 A T E < -HI 138 159D 37 -3,-2.5 -3,-2.7 18,-0.2 2,-0.5 -0.777 51.8-167.3 -96.4 129.4 28.2 -3.0 10.8 142 167 A V E -HI 137 158D 0 16,-3.0 16,-2.4 -2,-0.5 2,-0.5 -0.973 7.2-167.6-115.2 119.7 25.1 -1.3 12.2 143 168 A T E -HI 136 157D 27 -7,-2.7 -7,-2.3 -2,-0.5 2,-0.5 -0.951 3.0-161.9-116.5 123.8 22.1 -1.0 9.9 144 169 A F E +HI 135 156D 0 12,-3.7 12,-2.3 -2,-0.5 2,-0.4 -0.882 12.1 173.4-104.1 131.0 19.1 1.2 10.7 145 170 A R E + I 0 155D 159 -11,-2.3 2,-0.3 -2,-0.5 10,-0.2 -0.953 19.6 131.8-137.1 117.7 15.8 0.7 8.8 146 171 A F E - I 0 154D 15 8,-2.2 8,-1.7 -2,-0.4 2,-0.6 -0.988 56.2-104.1-157.2 160.6 12.7 2.6 9.9 147 172 A K E - I 0 153D 122 -2,-0.3 -22,-2.3 6,-0.2 6,-0.2 -0.831 46.4-173.6 -88.3 123.6 9.8 4.7 8.6 148 173 A G > - 0 0 2 4,-3.9 3,-2.0 -2,-0.6 4,-0.2 0.014 42.2 -15.4 -99.0-153.4 10.5 8.4 9.4 149 174 A K G > S+ 0 0 115 -24,-0.3 3,-1.6 1,-0.3 -1,-0.3 -0.173 135.5 5.2 -53.2 134.2 8.6 11.6 9.2 150 175 A H G 3 S- 0 0 175 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.746 130.3 -70.1 57.4 25.6 5.5 11.3 6.9 151 176 A G G < S+ 0 0 35 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.611 88.1 161.1 71.7 14.5 6.3 7.6 6.6 152 177 A V < - 0 0 48 -3,-1.6 -4,-3.9 -4,-0.2 -1,-0.2 -0.374 43.6-102.4 -71.5 142.3 9.5 8.3 4.5 153 178 A S E -I 147 0D 61 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.382 33.5-174.0 -62.9 135.2 12.2 5.5 4.2 154 179 A Q E +I 146 0D 4 -8,-1.7 -8,-2.2 -2,-0.1 2,-0.4 -0.953 10.6 165.9-130.7 114.5 15.3 5.8 6.3 155 180 A H E +I 145 0D 93 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.995 8.7 162.9-127.1 122.6 18.0 3.3 5.6 156 181 A K E -I 144 0D 10 -12,-2.3 -12,-3.7 -2,-0.4 2,-0.4 -0.997 14.2-172.4-142.5 133.3 21.4 4.0 7.1 157 182 A A E +I 143 0D 60 -2,-0.4 2,-0.3 -14,-0.3 -14,-0.2 -0.995 5.8 177.6-129.3 136.4 24.4 1.7 7.6 158 183 A T E -I 142 0D 25 -16,-2.4 -16,-3.0 -2,-0.4 2,-0.6 -0.981 20.4-143.4-134.3 148.8 27.7 2.6 9.4 159 184 A S E +I 141 0D 86 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.953 40.7 135.9-114.5 113.1 30.7 0.5 10.3 160 185 A D > - 0 0 69 -20,-2.1 4,-3.1 -2,-0.6 5,-0.2 -0.859 44.8-146.0-159.3 121.9 32.3 1.3 13.6 161 186 A R H > S+ 0 0 190 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.883 103.1 42.8 -55.6 -46.9 33.6 -1.2 16.2 162 187 A T H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.815 114.5 51.5 -74.7 -30.8 32.7 0.9 19.2 163 188 A L H > S+ 0 0 16 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.959 113.0 44.4 -65.6 -51.7 29.3 1.9 17.7 164 189 A A H X S+ 0 0 4 -4,-3.1 4,-2.6 -24,-0.3 -2,-0.2 0.901 113.0 51.7 -58.8 -44.3 28.5 -1.8 17.1 165 190 A A H X S+ 0 0 43 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.894 113.5 44.3 -60.0 -42.5 29.7 -2.8 20.5 166 191 A N H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.873 111.3 52.8 -71.4 -38.7 27.5 -0.1 22.1 167 192 A X H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.913 108.5 51.4 -59.7 -42.6 24.6 -1.0 20.0 168 193 A Q H X S+ 0 0 86 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.869 107.2 53.3 -62.8 -38.6 25.0 -4.6 21.1 169 194 A K H < S+ 0 0 89 -4,-1.6 3,-0.4 1,-0.2 4,-0.3 0.889 110.7 47.2 -61.2 -41.1 25.0 -3.4 24.7 170 195 A L H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.876 107.7 55.1 -67.5 -39.5 21.7 -1.6 24.1 171 196 A L H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.665 96.1 68.0 -70.8 -14.8 20.2 -4.6 22.4 172 197 A D T 3< S+ 0 0 121 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.656 88.3 83.8 -74.3 -17.9 21.0 -6.7 25.5 173 198 A L S < S- 0 0 26 -3,-1.5 2,-0.0 -4,-0.3 9,-0.0 -0.538 97.6 -89.3 -84.8 152.0 18.4 -4.6 27.4 174 199 A P - 0 0 75 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.362 65.0-136.2 -58.6 137.6 14.6 -5.4 27.3 175 200 A G S S+ 0 0 38 1,-0.2 3,-0.1 -4,-0.1 -44,-0.0 -0.031 75.9 98.9 -80.8-167.9 12.8 -3.7 24.4 176 201 A P S S+ 0 0 61 0, 0.0 -44,-3.1 0, 0.0 -43,-0.3 -0.983 95.7 65.0 -82.9 -14.0 10.9 -2.3 22.7 177 202 A W B -G 131 0C 64 -46,-0.3 -46,-0.3 -3,-0.2 3,-0.1 -0.428 59.3-159.8 -80.3 141.6 12.9 0.9 22.9 178 203 A L S S+ 0 0 0 -48,-2.2 2,-1.1 1,-0.2 -47,-0.1 0.941 75.2 59.5 -83.4 -52.9 16.4 1.2 21.6 179 204 A F S S+ 0 0 5 -49,-0.5 13,-2.2 -52,-0.2 2,-0.3 -0.695 71.3 147.0 -90.7 97.5 18.0 4.1 23.3 180 205 A Q E - F 0 191B 6 -2,-1.1 2,-0.4 11,-0.3 11,-0.2 -0.917 38.5-142.7-128.0 151.0 17.9 3.4 27.0 181 206 A T E + F 0 190B 10 9,-2.9 9,-2.1 -2,-0.3 2,-0.3 -0.929 24.8 179.7-111.7 143.1 20.2 4.2 30.0 182 207 A V E -EF 102 189B 27 -80,-1.5 -80,-0.6 -2,-0.4 7,-0.2 -0.985 24.1-123.3-142.5 149.9 20.7 1.6 32.8 183 208 A D - 0 0 77 5,-1.7 3,-0.3 -2,-0.3 -82,-0.0 -0.321 40.8 -98.2 -81.1 173.9 22.5 1.3 36.0 184 209 A A S S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.1 -83,-0.0 0.888 121.3 52.1 -62.9 -42.2 25.0 -1.6 36.8 185 210 A G S S- 0 0 75 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.786 103.6-129.4 -66.5 -31.5 22.5 -3.7 38.7 186 211 A G S S+ 0 0 42 -3,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.202 81.5 105.2 101.0 -12.5 19.9 -3.5 35.9 187 212 A G S S+ 0 0 72 1,-0.2 2,-0.6 -5,-0.1 -3,-0.0 0.718 71.3 59.6 -73.7 -24.9 17.0 -2.4 38.2 188 213 A E + 0 0 139 2,-0.0 -5,-1.7 -5,-0.0 2,-0.4 -0.902 66.8 149.8-112.9 108.8 17.0 1.2 37.0 189 214 A R E +F 182 0B 94 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.998 9.1 159.1-141.7 135.0 16.4 1.7 33.3 190 215 A R E -F 181 0B 109 -9,-2.1 -9,-2.9 -2,-0.4 2,-0.1 -0.976 37.4 -97.8-150.5 161.4 14.7 4.4 31.3 191 216 A R E -F 180 0B 45 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.463 28.1-125.7 -76.1 150.3 14.5 5.8 27.8 192 217 A I - 0 0 0 -13,-2.2 2,-0.2 -2,-0.1 -13,-0.1 -0.901 35.3-157.0 -88.6 122.2 16.5 8.8 26.6 193 218 A H > - 0 0 91 -2,-0.6 4,-2.3 1,-0.1 3,-0.2 -0.567 28.1-103.7-100.8 168.1 13.9 11.3 25.1 194 219 A S H > S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.826 118.4 56.1 -57.8 -38.7 14.3 14.1 22.6 195 220 A T H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 109.9 46.0 -59.8 -46.6 14.2 16.8 25.2 196 221 A E H > S+ 0 0 52 1,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.918 114.5 47.5 -63.0 -45.5 17.1 15.2 27.1 197 222 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 110.2 51.8 -62.7 -44.1 19.1 14.8 23.9 198 223 A N H X S+ 0 0 72 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.861 108.0 52.7 -63.9 -34.0 18.4 18.3 22.7 199 224 A A H X S+ 0 0 55 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.890 108.2 50.8 -63.1 -42.2 19.7 19.6 26.1 200 225 A Y H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.899 109.2 51.2 -62.4 -42.4 22.9 17.6 25.6 201 226 A L H X>S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 5,-1.3 0.884 103.0 59.0 -62.2 -39.9 23.3 19.1 22.1 202 227 A R H X5S+ 0 0 102 -4,-2.0 4,-0.9 3,-0.2 -1,-0.2 0.936 110.8 43.5 -53.8 -45.0 22.9 22.6 23.7 203 228 A E H <5S+ 0 0 27 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.950 123.0 34.0 -62.6 -53.9 25.9 21.8 25.8 204 229 A V H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.820 138.2 11.5 -81.3 -34.0 28.1 20.2 23.1 205 230 A I H ><5S+ 0 0 1 -4,-3.3 3,-2.3 -5,-0.2 -3,-0.2 0.494 88.2 168.9-123.7 -6.7 27.2 22.2 20.0 206 231 A G T 3<< + 0 0 1 -5,-1.3 3,-0.1 -4,-0.9 -4,-0.1 -0.216 66.6 34.8 -50.3 136.7 25.1 25.2 21.1 207 232 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.4 0, 0.0 -5,-0.1 -0.985 116.4 71.8 -82.4 0.8 24.3 27.6 19.5 208 233 A F S < S- 0 0 4 -3,-2.3 2,-0.2 -7,-0.1 -3,-0.2 -0.383 72.2-156.9 -74.2 160.5 24.1 25.0 16.8 209 234 A T >> - 0 0 69 -3,-0.1 3,-1.3 -2,-0.1 4,-0.6 -0.721 36.4 -84.5-130.8 176.5 21.2 22.5 16.9 210 235 A A H >> S+ 0 0 14 1,-0.3 3,-1.1 -2,-0.2 4,-0.6 0.829 121.8 65.3 -53.7 -33.9 20.4 19.0 15.6 211 236 A K H >> S+ 0 0 107 1,-0.3 4,-2.0 2,-0.2 3,-1.1 0.833 89.4 66.2 -59.7 -33.5 19.2 20.5 12.3 212 237 A D H <> S+ 0 0 2 -3,-1.3 4,-2.3 1,-0.3 5,-0.4 0.808 92.2 61.1 -62.4 -28.6 22.7 21.6 11.6 213 238 A F H S- 0 0 41 1,-0.1 4,-2.9 2,-0.0 5,-0.2 -0.644 71.8-147.4 -82.5 133.1 27.0 21.4 -21.2 235 260 A E H > S+ 0 0 142 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.891 103.5 52.8 -63.0 -41.3 24.9 23.7 -18.9 236 261 A R H > S+ 0 0 172 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 113.4 43.4 -59.8 -43.2 21.8 21.7 -19.6 237 262 A Q H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 111.6 52.3 -70.1 -44.2 23.7 18.5 -18.6 238 263 A A H X S+ 0 0 5 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.888 110.7 49.0 -59.4 -39.6 25.3 20.1 -15.5 239 264 A K H X S+ 0 0 116 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.853 107.5 54.6 -69.9 -35.5 21.9 21.3 -14.3 240 265 A K H X S+ 0 0 95 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.898 106.1 52.5 -60.8 -42.4 20.4 17.8 -14.9 241 266 A V H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.890 106.4 54.0 -58.8 -39.7 23.2 16.4 -12.6 242 267 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.933 107.5 49.6 -61.9 -44.2 22.1 19.0 -10.0 243 268 A V H X S+ 0 0 65 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 112.2 48.3 -58.5 -44.6 18.6 17.7 -10.2 244 269 A D H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 110.1 52.4 -60.4 -43.9 19.9 14.1 -9.8 245 270 A C H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.909 107.9 50.8 -60.4 -45.6 22.0 15.2 -6.8 246 271 A V H X S+ 0 0 7 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.925 109.9 50.7 -57.2 -45.4 19.0 16.8 -5.1 247 272 A K H X S+ 0 0 125 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 111.2 48.7 -58.9 -44.3 17.1 13.5 -5.6 248 273 A F H X S+ 0 0 96 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 116.2 41.3 -60.4 -51.0 19.9 11.5 -4.1 249 274 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.899 112.4 54.8 -67.1 -42.2 20.3 13.7 -1.1 250 275 A A H X>S+ 0 0 3 -4,-3.3 5,-2.1 -5,-0.2 4,-1.5 0.929 108.5 50.0 -56.3 -44.9 16.5 14.1 -0.6 251 276 A D H <5S+ 0 0 118 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.917 112.5 47.1 -60.5 -46.5 16.3 10.3 -0.5 252 277 A D H <5S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.934 116.7 42.9 -58.6 -46.9 19.0 10.1 2.1 253 278 A L H <5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.609 107.0-119.5 -81.4 -12.7 17.6 12.8 4.3 254 279 A G T <5S+ 0 0 7 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.879 73.6 122.1 71.6 38.7 13.9 11.7 4.1 255 280 A N < - 0 0 19 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.801 68.7-100.2-122.0 166.8 12.9 15.0 2.5 256 281 A T > - 0 0 79 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.526 37.2-113.3 -77.4 155.2 11.2 16.1 -0.7 257 282 A P H > S+ 0 0 66 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.899 116.0 55.8 -52.8 -41.8 13.5 17.4 -3.4 258 283 A A H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.933 110.8 41.7 -57.1 -51.4 12.0 20.9 -3.1 259 284 A V H >>S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.6 0.881 113.8 54.8 -67.9 -37.4 12.8 21.2 0.6 260 285 A T H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-1.7 0.936 115.1 36.9 -60.9 -49.3 16.3 19.6 0.1 261 286 A R H <5S+ 0 0 105 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.850 119.9 51.2 -71.3 -33.5 17.3 22.1 -2.6 262 287 A G H <5S- 0 0 42 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.863 133.3 -1.0 -68.6 -38.4 15.5 24.9 -0.7 263 288 A S H <5S+ 0 0 65 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.539 125.3 48.7-136.4 -15.6 17.0 24.4 2.7 264 289 A Y T < - 0 0 3 -2,-0.7 3,-1.7 -51,-0.4 4,-0.5 -0.459 16.6-139.4 -61.5 121.3 23.9 25.0 0.6 267 292 A P T >> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.664 92.4 81.0 -68.5 -14.5 23.5 26.4 -3.0 268 293 A V H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 89.3 55.7 -49.2 -41.1 27.1 27.6 -3.0 269 294 A I H <> S+ 0 0 2 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.860 108.6 46.8 -65.4 -30.3 28.1 24.1 -3.8 270 295 A F H <> S+ 0 0 7 -3,-0.5 4,-2.5 -4,-0.5 -1,-0.2 0.868 108.3 54.8 -77.0 -40.7 25.8 24.1 -6.8 271 296 A D H X S+ 0 0 84 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.925 111.1 46.7 -54.6 -46.9 27.1 27.5 -8.0 272 297 A R H ><>S+ 0 0 32 -4,-2.4 5,-2.6 1,-0.2 3,-0.6 0.916 110.2 52.0 -63.3 -45.2 30.6 26.1 -7.9 273 298 A Y H ><5S+ 0 0 3 -4,-1.8 3,-2.0 1,-0.3 -41,-0.3 0.898 107.1 51.9 -59.5 -45.2 29.6 22.9 -9.8 274 299 A L H 3<5S+ 0 0 77 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.728 109.4 52.2 -65.2 -21.2 28.0 24.9 -12.6 275 300 A D T <<5S- 0 0 104 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.169 127.4-101.9 -98.0 14.9 31.2 26.9 -12.8 276 301 A G T < 5S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.693 80.7 126.4 80.4 22.9 33.2 23.6 -13.1 277 302 A K < + 0 0 71 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.914 30.7 176.3-120.0 140.0 34.5 23.4 -9.5 278 303 A V > - 0 0 20 -2,-0.4 3,-1.6 -51,-0.1 4,-0.4 -0.791 50.2 -81.0-132.8 173.9 34.2 20.6 -7.0 279 304 A L G > S+ 0 0 7 -56,-0.4 3,-2.4 1,-0.3 4,-0.1 0.844 122.3 62.7 -40.3 -47.0 35.4 19.7 -3.4 280 305 A D G > S+ 0 0 96 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.823 93.8 61.4 -50.3 -41.1 38.8 18.6 -4.8 281 306 A D G < S+ 0 0 82 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.579 100.0 57.1 -66.8 -10.0 39.5 22.1 -6.0 282 307 A Y G < S+ 0 0 39 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.233 72.6 130.1-111.6 14.3 39.3 23.4 -2.4 283 308 A E S < S- 0 0 56 -3,-1.5 7,-0.1 1,-0.1 16,-0.0 -0.324 70.7 -88.7 -65.8 147.1 41.9 21.3 -0.7 284 309 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.266 32.6-165.6 -59.1 147.9 44.4 23.2 1.4 285 310 A R + 0 0 213 -3,-0.1 2,-0.3 1,-0.1 3,-0.1 0.395 68.6 37.5-114.4 -4.2 47.6 24.4 -0.4 286 311 A T S > S- 0 0 68 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.953 82.1-111.1-140.4 163.1 49.7 25.2 2.6 287 312 A E H > S+ 0 0 153 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.882 119.2 55.5 -55.1 -46.3 50.5 23.9 6.1 288 313 A R H > S+ 0 0 174 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 108.6 47.5 -54.3 -49.8 48.7 27.0 7.6 289 314 A Q H 4 S+ 0 0 46 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.875 113.1 48.2 -60.9 -38.8 45.6 26.1 5.6 290 315 A E H >< S+ 0 0 99 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.872 108.2 55.2 -70.6 -33.9 45.7 22.5 6.7 291 316 A A H >< S+ 0 0 45 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.844 99.6 60.3 -65.1 -36.0 46.2 23.6 10.3 292 317 A E T 3< S+ 0 0 96 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.673 105.0 51.8 -62.6 -18.3 43.0 25.7 10.1 293 318 A L T X S+ 0 0 5 -3,-1.1 3,-2.2 -4,-0.4 -1,-0.3 0.168 77.0 148.9-108.6 13.7 41.2 22.4 9.4 294 319 A E T < + 0 0 143 -3,-1.5 3,-0.1 1,-0.3 -3,-0.1 -0.220 68.5 21.8 -52.2 130.8 42.5 20.4 12.3 295 320 A G T 3 S+ 0 0 36 1,-0.3 2,-0.3 -208,-0.1 -1,-0.3 0.313 102.9 105.6 91.3 -9.6 40.0 17.8 13.5 296 321 A L S < S- 0 0 22 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.1 -0.763 70.9-117.7 -99.3 151.5 38.2 17.7 10.2 297 322 A T > - 0 0 71 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.284 36.9 -98.9 -73.1 168.4 38.3 14.9 7.6 298 323 A R H > S+ 0 0 185 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 125.9 43.9 -54.4 -49.4 39.7 15.6 4.1 299 324 A S H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 113.8 50.0 -65.3 -43.1 36.1 16.0 2.7 300 325 A E H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.8 47.1 -61.1 -45.5 34.9 18.1 5.7 301 326 A G H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.876 110.9 51.0 -65.4 -41.4 37.9 20.4 5.3 302 327 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 110.4 50.0 -64.4 -40.3 37.5 20.8 1.6 303 328 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 108.9 52.1 -62.6 -43.6 33.8 21.6 2.1 304 329 A K H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.945 111.8 46.0 -58.3 -47.4 34.7 24.2 4.7 305 330 A R H X S+ 0 0 49 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.891 110.1 53.8 -64.4 -39.5 37.2 25.9 2.3 306 331 A X H < S+ 0 0 3 -4,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.936 112.1 44.3 -58.2 -45.7 34.6 25.8 -0.5 307 332 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.902 109.0 57.8 -64.9 -39.4 32.1 27.6 1.6 308 333 A E H >< S+ 0 0 23 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.766 89.3 73.7 -61.9 -26.5 34.8 30.0 2.8 309 334 A S T 3< S+ 0 0 46 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.609 84.0 69.0 -64.5 -10.8 35.4 31.0 -0.9 310 335 A E T < S+ 0 0 69 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.617 82.1 100.3 -79.3 -15.3 32.1 32.9 -0.6 311 336 A R < 0 0 150 -3,-2.2 -3,-0.0 -4,-0.2 0, 0.0 -0.295 360.0 360.0 -67.8 153.3 33.8 35.4 1.8 312 337 A T 0 0 193 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.080 360.0 360.0 -92.7 360.0 35.0 38.8 0.6