==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-JUN-02 1LWW . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,S.D.BRUNER,W.YANG,M.KARPLUS,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 66.9 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 . 27 8.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 3 1 1 1 3 0 1 1 2 0 0 0 0 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 . 0 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 . 1 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 9 A G 0 0 86 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.2 28.9 -13.2 36.8 2 10 A S + 0 0 110 4,-0.1 2,-0.3 73,-0.0 4,-0.1 0.399 360.0 83.5 -90.3 1.8 25.1 -13.0 37.0 3 11 A E S S+ 0 0 154 2,-0.1 160,-0.1 160,-0.1 2,-0.0 -0.742 81.7 12.8-104.6 153.4 25.6 -10.6 39.9 4 12 A G S S- 0 0 13 -2,-0.3 2,-0.2 158,-0.2 158,-0.0 -0.142 106.4 -22.9 79.6-176.6 26.3 -6.8 39.8 5 13 A H S S- 0 0 28 158,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.494 71.7-121.0 -70.7 135.5 26.0 -4.4 36.9 6 14 A R - 0 0 35 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.309 21.3-161.0 -76.1 157.6 26.3 -6.0 33.4 7 15 A T > - 0 0 33 1,-0.1 4,-2.1 50,-0.0 7,-0.1 -0.961 30.2-117.9-133.9 150.4 28.9 -5.2 30.8 8 16 A L T 4 S+ 0 0 49 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.898 115.7 46.4 -55.0 -43.0 28.6 -6.0 27.1 9 17 A A T 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.926 111.8 49.4 -66.2 -47.6 31.6 -8.3 27.3 10 18 A S T 4 S+ 0 0 73 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.878 123.6 24.0 -64.0 -44.0 30.6 -10.1 30.5 11 19 A T >< + 0 0 18 -4,-2.1 3,-3.4 1,-0.2 -1,-0.2 -0.377 69.3 167.9-124.3 58.6 27.0 -11.1 29.6 12 20 A P G > S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.777 77.0 53.3 -34.6 -53.9 26.9 -11.2 25.8 13 21 A A G 3 S+ 0 0 80 1,-0.3 2,-0.2 64,-0.0 64,-0.1 0.621 98.7 70.6 -65.3 -10.8 23.5 -13.0 25.5 14 22 A L G < S+ 0 0 36 -3,-3.4 2,-0.3 -6,-0.2 -1,-0.3 -0.272 85.9 78.9-102.2 48.4 22.1 -10.3 27.8 15 23 A W < - 0 0 21 -3,-0.6 2,-0.3 -2,-0.2 53,-0.2 -0.965 52.7-165.7-154.7 135.0 22.2 -7.3 25.4 16 24 A A E -A 67 0A 15 51,-3.0 51,-3.2 -2,-0.3 2,-0.2 -0.918 18.8-136.3-119.2 147.8 20.0 -6.1 22.5 17 25 A S E -A 66 0A 48 -2,-0.3 49,-0.2 49,-0.2 47,-0.1 -0.676 14.1-168.2-107.7 160.3 21.0 -3.5 19.9 18 26 A I E -A 65 0A 11 47,-0.9 47,-1.8 -2,-0.2 2,-0.0 -0.969 38.6-108.0-143.7 119.4 19.4 -0.5 18.2 19 27 A P E +A 64 0A 100 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.300 59.7 141.5 -52.0 124.1 21.1 1.1 15.2 20 28 A C - 0 0 3 43,-2.3 41,-0.2 41,-0.1 2,-0.1 -0.680 37.6-146.1-171.3 108.2 22.5 4.4 16.3 21 29 A P >> - 0 0 37 0, 0.0 3,-3.1 0, 0.0 4,-1.4 -0.455 31.8-111.2 -79.0 153.3 25.8 6.0 15.2 22 30 A R T 34 S+ 0 0 68 40,-1.6 41,-0.1 1,-0.3 40,-0.1 0.661 118.8 67.5 -59.1 -10.0 27.8 8.1 17.6 23 31 A S T 34 S+ 0 0 50 39,-0.3 96,-0.8 1,-0.2 -1,-0.3 0.672 104.9 41.1 -81.5 -17.5 26.9 10.9 15.3 24 32 A E T <4 S+ 0 0 25 -3,-3.1 2,-0.3 1,-0.3 -2,-0.2 0.668 130.7 9.5 -99.1 -23.5 23.2 10.5 16.4 25 33 A L < - 0 0 0 -4,-1.4 2,-0.4 95,-0.1 -1,-0.3 -0.951 47.2-173.3-162.2 137.8 24.0 10.0 20.1 26 34 A R >> - 0 0 40 93,-1.8 3,-2.3 -2,-0.3 4,-1.2 -0.896 11.3-163.9-132.0 97.9 26.9 10.2 22.6 27 35 A L H >> S+ 0 0 2 -2,-0.4 4,-2.0 1,-0.3 3,-0.8 0.886 89.3 59.1 -49.5 -43.9 25.9 8.8 25.9 28 36 A D H 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.639 110.7 42.2 -64.7 -13.1 28.9 10.4 27.6 29 37 A L H <4 S+ 0 0 9 -3,-2.3 -1,-0.2 90,-0.2 -2,-0.2 0.578 121.3 37.4-107.5 -14.5 27.8 13.8 26.4 30 38 A V H X< S+ 0 0 0 -4,-1.2 3,-0.9 -3,-0.8 5,-0.5 0.842 109.2 52.8-102.5 -49.8 24.0 13.5 27.1 31 39 A L T 3< S+ 0 0 2 -4,-2.0 8,-0.4 1,-0.2 3,-0.3 0.823 115.9 33.7 -64.2 -36.9 23.5 11.6 30.4 32 40 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.327 95.1 91.2-102.6 13.8 25.8 13.5 32.8 33 41 A S S < S- 0 0 2 -3,-0.9 -2,-0.1 1,-0.0 4,-0.1 0.185 107.7 -89.7 -93.8 19.4 25.2 17.0 31.3 34 42 A G S S+ 0 0 10 2,-0.5 3,-0.2 -3,-0.3 -3,-0.1 0.786 101.0 99.7 85.5 25.9 22.3 18.1 33.4 35 43 A Q S S+ 0 0 9 1,-0.6 2,-0.4 -5,-0.5 -4,-0.1 0.762 97.9 14.5-100.3 -64.6 19.2 16.9 31.5 36 44 A S - 0 0 3 -6,-0.4 -1,-0.6 -5,-0.2 -2,-0.5 -0.864 65.6-163.0-106.7 144.1 18.5 13.8 33.5 37 45 A F S S+ 0 0 11 -2,-0.4 113,-0.1 -3,-0.2 -1,-0.1 0.309 72.7 79.0-109.0 9.5 20.2 13.4 36.9 38 46 A R + 0 0 32 12,-0.1 12,-0.5 111,-0.1 2,-0.4 0.157 65.2 97.3-108.0 20.6 19.7 9.7 37.3 39 47 A W - 0 0 9 -8,-0.4 2,-0.4 -3,-0.2 10,-0.2 -0.912 46.4-173.8-111.7 135.8 22.3 8.0 35.1 40 48 A R E -B 48 0A 110 8,-2.5 8,-3.1 -2,-0.4 2,-2.0 -0.989 29.4-134.0-130.9 135.3 25.6 6.7 36.4 41 49 A E E + 0 0 97 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.592 36.3 167.4 -83.2 78.2 28.6 5.2 34.6 42 50 A Q E S+ 0 0 82 -2,-2.0 -1,-0.2 4,-0.4 5,-0.1 0.834 70.9 25.7 -63.6 -32.9 29.0 2.3 37.0 43 51 A S E > S-B 46 0A 27 3,-1.2 3,-2.9 -3,-0.2 -1,-0.1 -0.940 113.0 -74.1-128.6 150.0 31.3 0.6 34.6 44 52 A P T 3 S- 0 0 105 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.186 117.1 -7.3 -48.2 125.6 33.6 2.3 32.0 45 53 A A T 3 S+ 0 0 56 1,-0.1 2,-0.5 -4,-0.1 15,-0.5 0.585 111.9 111.5 61.1 12.9 31.4 3.5 29.1 46 54 A H E < -B 43 0A 22 -3,-2.9 -3,-1.2 13,-0.1 2,-0.5 -0.963 52.0-161.0-118.9 115.6 28.4 1.7 30.6 47 55 A W E - C 0 58A 19 11,-3.2 11,-2.4 -2,-0.5 2,-0.4 -0.836 4.9-167.7-103.4 127.7 25.6 3.9 31.9 48 56 A S E +BC 40 57A 1 -8,-3.1 -8,-2.5 -2,-0.5 2,-0.3 -0.893 25.2 119.3-114.6 141.6 23.0 2.6 34.4 49 57 A G E - C 0 56A 0 7,-2.1 7,-2.6 -2,-0.4 2,-0.5 -0.982 60.2 -66.5-178.0 177.3 19.7 4.2 35.4 50 58 A V E + C 0 55A 13 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.730 44.2 175.5 -90.1 126.5 15.9 4.0 35.5 51 59 A L E > - C 0 54A 6 3,-3.3 3,-0.9 -2,-0.5 35,-0.1 -0.973 69.9 -16.8-134.5 117.3 14.1 4.0 32.2 52 60 A A T 3 S- 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.939 128.2 -51.2 54.0 50.8 10.3 3.6 32.0 53 61 A D T 3 S+ 0 0 131 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.618 123.5 89.6 64.8 16.9 10.1 2.1 35.5 54 62 A Q E < S-C 51 0A 51 -3,-0.9 -3,-3.3 -5,-0.0 2,-0.4 -0.917 79.3-108.7-135.8 161.4 12.9 -0.5 34.9 55 63 A V E +CD 50 70A 1 15,-1.1 15,-2.6 -2,-0.3 2,-0.3 -0.772 39.1 179.6 -94.9 139.9 16.6 -0.4 35.4 56 64 A W E -CD 49 69A 1 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.4 -0.944 22.1-153.0-135.6 155.8 18.8 -0.4 32.3 57 65 A T E -CD 48 68A 1 11,-1.9 11,-1.7 -2,-0.3 2,-0.3 -0.984 21.3-169.8-127.1 138.3 22.5 -0.3 31.5 58 66 A L E +CD 47 67A 0 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.3 -0.977 13.8 160.8-133.5 145.6 23.5 1.2 28.2 59 67 A T E - D 0 66A 9 7,-1.9 7,-3.2 -2,-0.3 2,-0.3 -0.964 20.9-141.0-155.7 158.4 26.7 1.3 26.2 60 68 A Q E - D 0 65A 35 -15,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.961 10.6-162.7-136.4 151.7 27.7 2.0 22.6 61 69 A T - 0 0 64 3,-2.5 -39,-0.1 -2,-0.3 -41,-0.1 -0.559 58.0 -78.1-109.8 179.9 30.0 0.9 19.8 62 70 A E S S+ 0 0 113 1,-0.2 -40,-1.6 -2,-0.2 -39,-0.3 0.843 129.0 14.5 -53.2 -35.4 30.6 3.0 16.7 63 71 A E S S+ 0 0 109 -42,-0.2 -43,-2.3 -41,-0.1 2,-0.3 0.487 118.9 67.0-119.9 -3.3 27.3 2.1 15.1 64 72 A Q E -A 19 0A 60 -45,-0.2 -3,-2.5 -47,-0.1 2,-0.7 -0.921 55.8-150.0-129.0 148.5 25.2 0.5 17.9 65 73 A L E -AD 18 60A 0 -47,-1.8 -47,-0.9 -2,-0.3 2,-0.4 -0.950 28.1-152.0-109.2 108.1 23.5 1.4 21.2 66 74 A H E -AD 17 59A 22 -7,-3.2 -7,-1.9 -2,-0.7 2,-0.4 -0.728 14.9-170.9 -89.1 130.3 23.6 -1.8 23.3 67 75 A C E +AD 16 58A 0 -51,-3.2 -51,-3.0 -2,-0.4 2,-0.3 -0.942 13.8 177.2-126.0 143.1 20.8 -2.1 25.8 68 76 A T E - D 0 57A 0 -11,-1.7 -11,-1.9 -2,-0.4 2,-0.4 -0.996 13.8-154.3-141.1 138.3 20.2 -4.6 28.7 69 77 A V E - D 0 56A 1 7,-0.4 2,-0.7 -2,-0.3 7,-0.3 -0.945 8.1-149.4-121.8 139.6 17.2 -4.5 31.1 70 78 A Y E D 0 55A 15 -15,-2.6 -15,-1.1 -2,-0.4 5,-0.0 -0.900 360.0 360.0-106.4 107.4 16.9 -5.8 34.7 71 79 A R 0 0 103 -2,-0.7 -1,-0.2 -17,-0.1 -16,-0.1 0.919 360.0 360.0 -88.1 360.0 13.3 -6.8 35.4 72 ! 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 73 83 A S 0 0 162 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -35.7 12.1 -13.1 36.3 74 84 A Q - 0 0 176 1,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.409 360.0-109.3 -59.4 120.6 14.5 -15.2 34.1 75 85 A A + 0 0 62 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.319 58.9 153.3 -54.1 123.7 17.1 -12.8 32.9 76 86 A S - 0 0 52 -7,-0.3 -7,-0.4 -62,-0.1 -5,-0.1 -0.881 44.6 -68.3-145.5 178.3 16.5 -12.3 29.2 77 87 A R - 0 0 54 -2,-0.3 -9,-0.1 1,-0.1 -63,-0.1 -0.336 57.3 -94.0 -72.6 148.7 17.0 -9.9 26.3 78 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.391 48.6-125.7 -59.2 139.7 15.1 -6.7 26.1 79 89 A T > - 0 0 52 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.360 24.2-100.1 -81.5 169.4 12.1 -7.4 24.0 80 90 A P H > S+ 0 0 108 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.822 124.5 51.2 -59.1 -32.1 11.3 -5.3 20.8 81 91 A D H > S+ 0 0 133 2,-0.2 4,-0.9 1,-0.2 0, 0.0 0.918 108.8 48.9 -71.0 -45.5 8.7 -3.3 22.9 82 92 A E H >> S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.873 109.2 53.2 -62.1 -39.1 11.1 -2.5 25.7 83 93 A L H 3X S+ 0 0 25 -4,-2.2 4,-2.4 1,-0.3 3,-0.3 0.861 101.7 60.5 -63.8 -34.1 13.7 -1.4 23.1 84 94 A E H 3X S+ 0 0 103 -4,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.804 98.7 57.7 -61.6 -30.3 11.0 0.9 21.7 85 95 A A H S+ 0 0 63 -4,-2.4 5,-2.3 1,-0.2 6,-0.2 0.905 111.4 48.2 -52.7 -42.1 14.1 4.8 21.3 88 98 A K H ><5S+ 0 0 110 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.873 107.6 54.1 -67.6 -38.7 11.4 7.0 22.6 89 99 A Y H 3<5S+ 0 0 11 -4,-1.8 35,-2.7 1,-0.3 -1,-0.2 0.894 115.4 39.8 -62.7 -40.7 13.5 8.2 25.6 90 100 A F T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 33,-0.2 -2,-0.2 0.295 105.9-130.5 -91.7 10.5 16.3 9.3 23.2 91 101 A Q T X 5 + 0 0 34 -3,-1.0 3,-1.7 -5,-0.2 -3,-0.2 0.879 38.5 174.8 40.3 52.5 13.8 10.6 20.6 92 102 A L T 3 < + 0 0 20 -5,-2.3 -1,-0.1 1,-0.3 4,-0.1 0.598 64.7 72.5 -65.1 -14.0 15.6 8.7 17.9 93 103 A D T 3 S+ 0 0 138 -6,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.742 81.1 87.2 -71.2 -22.0 13.1 9.6 15.2 94 104 A V S < S- 0 0 31 -3,-1.7 2,-1.0 -4,-0.1 3,-0.1 -0.711 82.9-138.0 -80.8 115.5 14.6 13.0 15.4 95 105 A T >> - 0 0 68 -2,-0.7 4,-1.5 1,-0.2 3,-0.6 -0.666 16.3-169.4 -79.1 104.1 17.6 13.0 13.0 96 106 A L H 3> S+ 0 0 0 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.807 84.1 61.0 -65.3 -29.8 20.3 14.9 14.9 97 107 A A H 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 103.9 49.6 -66.0 -33.1 22.5 15.0 11.7 98 108 A Q H <> S+ 0 0 130 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.885 112.9 47.2 -72.5 -39.2 19.8 17.0 9.9 99 109 A L H X S+ 0 0 27 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.931 110.6 50.3 -68.5 -44.6 19.5 19.4 12.8 100 110 A Y H X S+ 0 0 31 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.906 109.2 53.0 -59.2 -43.3 23.3 20.0 13.2 101 111 A H H X S+ 0 0 124 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.960 112.2 44.8 -54.5 -55.1 23.6 20.7 9.5 102 112 A H H >X S+ 0 0 84 -4,-1.9 4,-1.1 2,-0.2 3,-0.7 0.936 114.3 45.6 -55.8 -56.3 20.9 23.3 9.7 103 113 A W H >X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.3 3,-0.7 0.905 113.1 51.7 -57.1 -43.3 22.1 25.1 12.8 104 114 A G H 3< S+ 0 0 9 -4,-2.6 7,-0.3 -5,-0.3 -1,-0.3 0.772 104.4 58.9 -65.4 -24.3 25.6 25.1 11.5 105 115 A S H << S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.766 116.3 31.3 -75.1 -27.6 24.3 26.6 8.2 106 116 A V H << S+ 0 0 74 -4,-1.1 2,-0.4 -3,-0.7 -2,-0.2 0.474 122.0 49.5-108.6 -4.0 22.9 29.7 10.0 107 117 A D X - 0 0 11 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 -0.828 57.2-171.2-142.7 98.8 25.4 29.9 12.8 108 118 A S H > S+ 0 0 98 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.833 90.6 52.7 -56.5 -38.6 29.2 29.8 12.0 109 119 A H H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 108.1 51.1 -67.3 -39.1 30.1 29.5 15.7 110 120 A F H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.946 105.6 55.4 -61.3 -48.2 27.8 26.6 16.2 111 121 A Q H X S+ 0 0 102 -4,-2.3 4,-1.2 -8,-0.3 -1,-0.2 0.894 108.8 50.7 -49.5 -41.7 29.3 24.8 13.2 112 122 A E H < S+ 0 0 117 -4,-1.6 4,-0.3 2,-0.2 3,-0.2 0.949 115.2 38.2 -64.8 -52.2 32.6 25.2 14.9 113 123 A V H >X S+ 0 0 15 -4,-2.2 3,-2.1 1,-0.2 4,-0.8 0.929 112.3 57.9 -66.0 -45.6 31.6 23.8 18.4 114 124 A A H 3< S+ 0 0 9 -4,-3.3 3,-0.5 1,-0.3 -1,-0.2 0.790 91.3 71.6 -55.3 -31.2 29.4 21.1 16.9 115 125 A Q T 3< S+ 0 0 138 -4,-1.2 -1,-0.3 -5,-0.3 3,-0.2 0.751 111.0 30.8 -58.7 -23.2 32.4 19.7 15.0 116 126 A K T <4 S+ 0 0 105 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.453 120.0 52.5-114.3 -5.0 33.8 18.5 18.3 117 127 A F S < S+ 0 0 33 -4,-0.8 3,-0.5 -3,-0.5 -1,-0.2 -0.529 70.1 157.9-131.9 69.2 30.5 17.8 20.2 118 128 A Q + 0 0 70 1,-0.2 -94,-0.1 -3,-0.2 3,-0.1 -0.465 51.4 43.4 -88.9 163.6 28.3 15.5 18.1 119 129 A G + 0 0 0 -96,-0.8 -93,-1.8 1,-0.2 2,-0.8 0.648 68.1 142.7 80.3 15.8 25.6 13.3 19.4 120 130 A V + 0 0 1 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.817 21.2 151.5 -93.0 109.4 24.0 15.8 21.8 121 131 A R - 0 0 0 -2,-0.8 2,-0.4 -95,-0.1 -30,-0.1 -0.766 45.2 -94.5-127.5 173.6 20.3 15.3 21.7 122 132 A L - 0 0 1 -2,-0.2 2,-0.2 -31,-0.1 181,-0.1 -0.770 28.1-131.9 -98.4 137.9 17.4 15.9 24.1 123 133 A L - 0 0 0 -2,-0.4 2,-0.9 -93,-0.1 -33,-0.2 -0.553 17.9-130.2 -78.2 147.7 16.0 13.2 26.4 124 134 A R - 0 0 18 -35,-2.7 124,-0.2 -2,-0.2 2,-0.1 -0.864 41.1-168.8-101.2 98.2 12.2 12.9 26.4 125 135 A Q - 0 0 6 122,-3.1 -89,-0.0 -2,-0.9 -3,-0.0 -0.385 27.0 -94.5 -92.9 166.8 11.6 12.9 30.1 126 136 A D > - 0 0 77 1,-0.1 4,-3.1 -2,-0.1 5,-0.3 -0.605 33.8-129.7 -75.9 129.2 8.6 12.2 32.5 127 137 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.855 104.5 44.5 -47.7 -44.7 6.8 15.5 33.4 128 138 A I H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.951 115.5 44.3 -70.1 -51.0 6.9 14.7 37.2 129 139 A E H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.942 117.8 47.0 -58.3 -46.1 10.5 13.6 37.4 130 140 A C H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.875 110.7 53.8 -64.2 -37.7 11.6 16.5 35.2 131 141 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.968 115.4 34.8 -63.2 -54.9 9.5 18.9 37.2 132 142 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.824 112.4 59.9 -73.5 -29.3 10.9 18.2 40.7 133 143 A S H < S+ 0 0 2 -4,-2.1 3,-0.4 -5,-0.4 4,-0.4 0.950 110.2 42.5 -62.9 -45.4 14.4 17.5 39.5 134 144 A F H X S+ 0 0 7 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.714 103.0 65.0 -75.6 -17.8 14.7 21.0 38.1 135 145 A I H < S+ 0 0 0 -4,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.879 105.3 48.5 -66.1 -33.2 13.0 22.6 41.1 136 146 A C T < S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.624 101.1 69.5 -77.3 -15.3 16.1 21.3 42.8 137 147 A S T >4 + 0 0 6 -4,-0.4 3,-1.2 -3,-0.3 -1,-0.2 0.789 67.5 110.4 -74.8 -34.2 18.4 22.8 40.1 138 148 A S T 3< S- 0 0 28 -4,-0.9 3,-0.1 -3,-0.3 56,-0.1 -0.147 94.9 -5.7 -50.1 131.8 18.0 26.5 40.8 139 149 A N T 3 S+ 0 0 140 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.871 118.3 101.3 49.9 43.5 21.1 28.3 42.1 140 150 A N S < S- 0 0 36 -3,-1.2 2,-0.3 4,-0.0 -1,-0.2 -0.842 70.6-111.0-144.4 175.5 22.8 25.0 42.4 141 151 A N > - 0 0 94 -2,-0.3 4,-2.8 -3,-0.1 5,-0.3 -0.861 27.5-115.1-116.4 153.5 25.4 22.9 40.6 142 152 A I H > S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.850 112.5 54.4 -52.7 -42.1 24.9 19.6 38.6 143 153 A A H > S+ 0 0 78 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.941 114.1 40.1 -60.9 -48.1 27.0 17.5 41.0 144 154 A R H >> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.929 112.5 54.7 -67.1 -46.1 25.0 18.6 44.1 145 155 A I H 3X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.891 103.6 59.4 -53.5 -40.0 21.6 18.4 42.3 146 156 A T H 3X S+ 0 0 15 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.888 107.4 43.1 -58.3 -42.5 22.5 14.8 41.4 147 157 A G H -E 166 0B 18 3,-2.9 3,-2.6 -2,-0.4 -158,-0.1 -0.997 70.0 -36.5-125.9 125.3 22.8 -4.2 41.6 164 174 A D T 3 S- 0 0 95 -2,-0.5 -160,-0.1 1,-0.3 -2,-0.0 -0.413 127.7 -28.1 57.0-131.2 26.0 -4.5 43.7 165 175 A D T 3 S+ 0 0 150 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.148 118.6 105.8 -98.8 21.1 25.5 -2.1 46.6 166 176 A V E < -E 163 0B 32 -3,-2.6 -3,-2.9 2,-0.0 2,-0.6 -0.883 51.1-165.6-107.8 120.1 23.2 0.1 44.5 167 177 A T E -E 162 0B 35 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.3 -0.895 15.7-145.7-102.5 122.1 19.4 0.1 45.1 168 178 A Y E - 0 0 17 -7,-3.3 -8,-3.3 -2,-0.6 2,-0.4 -0.661 14.6-167.1 -89.1 143.1 17.5 1.7 42.3 169 179 A H E -E 159 0B 21 -2,-0.3 -10,-0.2 -10,-0.2 -119,-0.1 -0.968 19.2-125.0-129.1 145.4 14.3 3.7 43.0 170 180 A G - 0 0 4 -12,-2.6 -14,-0.1 -2,-0.4 3,-0.1 -0.381 48.6 -84.6 -77.9 165.9 11.6 5.0 40.7 171 181 A F - 0 0 30 -14,-0.1 -1,-0.1 1,-0.1 -42,-0.1 -0.518 54.8-100.3 -72.2 138.5 10.8 8.7 41.0 172 182 A P - 0 0 1 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.211 36.5-117.5 -59.7 149.3 8.4 9.6 43.8 173 183 A S > - 0 0 58 -17,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.257 25.8-105.7 -79.1 171.8 4.7 10.2 42.9 174 184 A L H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 121.5 54.7 -64.2 -45.1 2.9 13.5 43.5 175 185 A Q H 4 S+ 0 0 119 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.917 108.7 48.1 -55.8 -45.4 1.0 11.9 46.5 176 186 A A H >4 S+ 0 0 31 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.912 113.0 46.7 -63.1 -43.4 4.3 11.0 48.1 177 187 A L H 3< S+ 0 0 0 -4,-2.1 25,-0.2 1,-0.2 -1,-0.2 0.736 113.3 50.2 -71.5 -21.6 5.9 14.4 47.5 178 188 A A T 3< S+ 0 0 15 -4,-1.9 -1,-0.2 24,-0.2 -2,-0.2 0.439 89.0 115.8 -94.3 -1.2 2.7 16.0 48.9 179 189 A G S X S- 0 0 19 -3,-0.9 3,-0.8 -4,-0.5 2,-0.2 0.082 77.0 -73.7 -59.4 177.5 2.6 13.9 52.0 180 190 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.548 110.2 4.8 -80.4 140.0 3.0 15.2 55.6 181 191 A E T 3> S+ 0 0 162 -2,-0.2 4,-1.8 -3,-0.1 5,-0.2 0.610 84.5 132.4 66.8 13.0 6.4 16.4 56.9 182 192 A V H <> + 0 0 3 -3,-0.8 4,-3.0 1,-0.2 3,-0.3 0.961 68.8 53.2 -60.0 -50.5 8.1 15.9 53.5 183 193 A E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 108.6 50.0 -51.2 -45.1 9.7 19.3 53.6 184 194 A A H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 112.6 46.6 -62.6 -38.8 11.3 18.6 57.0 185 195 A H H X S+ 0 0 83 -4,-1.8 4,-1.0 -3,-0.3 -2,-0.2 0.902 110.4 53.1 -70.2 -39.8 12.6 15.2 55.7 186 196 A L H <>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.2 6,-0.2 0.842 104.1 56.9 -64.3 -33.6 14.0 16.8 52.5 187 197 A R H ><5S+ 0 0 97 -4,-2.0 3,-1.5 -5,-0.3 5,-0.4 0.892 104.6 50.5 -65.9 -37.9 15.9 19.4 54.6 188 198 A K H 3<5S+ 0 0 195 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.748 105.9 58.8 -69.1 -21.9 17.7 16.7 56.5 189 199 A L T 3<5S- 0 0 33 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.402 123.4-108.8 -85.2 -0.2 18.5 15.2 53.1 190 200 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.716 74.4 136.5 83.4 24.4 20.2 18.5 52.2 191 201 A L > < - 0 0 0 -5,-1.9 3,-1.5 1,-0.2 4,-0.2 0.468 46.4-157.4 -81.7 0.7 17.8 20.1 49.7 192 202 A G T > - 0 0 30 -5,-0.4 3,-1.6 1,-0.3 4,-0.3 -0.255 63.8 -17.5 58.7-146.2 18.2 23.5 51.4 193 203 A Y T >> S+ 0 0 95 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.644 127.8 75.1 -67.5 -15.3 15.3 25.9 50.8 194 204 A R H <> S+ 0 0 4 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.705 75.6 78.4 -70.6 -17.6 14.2 23.9 47.8 195 205 A A H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.891 95.3 48.9 -55.6 -38.4 12.7 21.3 50.2 196 206 A R H <> S+ 0 0 135 -3,-0.9 4,-3.1 -4,-0.3 5,-0.3 0.883 106.9 54.8 -67.6 -42.3 9.9 23.8 50.6 197 207 A Y H X S+ 0 0 75 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.896 108.7 48.8 -59.1 -42.9 9.4 24.2 46.9 198 208 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.968 116.5 40.1 -63.4 -54.4 9.1 20.5 46.4 199 209 A S H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.973 119.3 46.7 -58.6 -55.3 6.5 20.0 49.2 200 210 A A H X S+ 0 0 35 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.841 113.3 49.5 -57.3 -36.7 4.6 23.2 48.3 201 211 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.864 108.5 51.3 -72.8 -36.8 4.7 22.4 44.5 202 212 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -25,-0.2 -24,-0.2 0.930 114.4 43.5 -65.1 -45.2 3.3 18.8 44.9 203 213 A R H X S+ 0 0 90 -4,-2.1 4,-3.5 -26,-0.2 5,-0.3 0.914 111.4 54.5 -66.5 -42.2 0.4 20.0 47.1 204 214 A A H X>S+ 0 0 8 -4,-2.0 5,-1.8 -5,-0.3 4,-1.6 0.901 111.9 44.8 -57.9 -42.4 -0.3 23.0 44.8 205 215 A I H <5S+ 0 0 0 -4,-2.1 6,-3.3 3,-0.2 5,-0.4 0.903 121.0 38.2 -68.8 -42.6 -0.5 20.6 41.8 206 216 A L H <5S+ 0 0 52 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.780 128.1 31.4 -80.7 -28.4 -2.7 18.0 43.6 207 217 A E H <5S+ 0 0 145 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.488 132.6 18.8-111.9 -3.6 -4.9 20.5 45.6 208 218 A E T <5S+ 0 0 139 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.590 121.5 45.9-135.0 -33.0 -5.2 23.6 43.4 209 219 A Q S > S- 0 0 10 -6,-3.3 3,-1.5 1,-0.2 4,-0.7 -0.273 76.2 -23.5 81.8-166.8 -3.6 16.9 39.8 212 222 A L H >> S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.770 126.7 67.1 -52.1 -34.9 -1.4 15.0 37.4 213 223 A A H 3> S+ 0 0 68 -3,-0.5 4,-0.9 1,-0.2 -1,-0.3 0.854 95.0 58.6 -58.0 -35.2 -3.9 15.6 34.5 214 224 A W H <> S+ 0 0 30 -3,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.855 111.0 40.9 -63.1 -35.9 -3.0 19.3 34.6 215 225 A L H XX S+ 0 0 1 -4,-0.7 3,-0.6 -3,-0.6 4,-0.5 0.957 113.0 49.9 -77.3 -54.3 0.6 18.6 34.0 216 226 A Q H 3< S+ 0 0 100 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.671 107.3 62.5 -59.1 -15.2 0.3 15.9 31.4 217 227 A Q H >X S+ 0 0 97 -4,-0.9 3,-2.9 -5,-0.3 4,-0.7 0.910 85.0 68.4 -76.3 -47.5 -2.1 18.3 29.7 218 228 A L H << S+ 0 0 4 -4,-1.0 3,-0.3 -3,-0.6 8,-0.2 0.694 85.1 76.5 -45.8 -22.5 0.5 21.1 29.1 219 229 A R T 3< S+ 0 0 71 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.739 99.0 39.9 -64.4 -26.1 2.1 18.8 26.6 220 230 A E T <4 S+ 0 0 150 -3,-2.9 -1,-0.2 -4,-0.1 -2,-0.2 0.540 106.1 85.4 -97.6 -12.1 -0.7 19.4 24.0 221 231 A S S < S- 0 0 36 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.0 -0.153 90.6 -88.1 -78.1 179.4 -0.8 23.1 24.9 222 232 A S > - 0 0 47 1,-0.1 4,-3.5 29,-0.0 3,-0.4 -0.637 30.8-113.9 -93.2 151.9 1.5 25.8 23.4 223 233 A Y H > S+ 0 0 20 1,-0.3 4,-3.3 -2,-0.2 5,-0.3 0.899 120.7 52.6 -46.8 -48.0 5.0 26.7 24.8 224 234 A E H > S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.916 115.1 41.8 -55.0 -46.0 3.6 30.1 25.6 225 235 A E H > S+ 0 0 127 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.978 116.1 47.6 -63.7 -59.6 0.7 28.4 27.5 226 236 A A H X S+ 0 0 0 -4,-3.5 4,-2.3 -8,-0.2 5,-0.2 0.884 110.8 51.1 -50.9 -48.6 2.8 25.8 29.1 227 237 A H H X S+ 0 0 32 -4,-3.3 4,-1.7 -5,-0.3 -1,-0.2 0.908 109.9 48.7 -60.3 -45.2 5.5 28.1 30.3 228 238 A K H < S+ 0 0 148 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.919 111.7 50.4 -60.3 -45.9 3.1 30.6 32.0 229 239 A A H >X S+ 0 0 17 -4,-2.2 3,-2.0 1,-0.2 4,-0.5 0.942 107.8 51.2 -59.7 -51.5 1.3 27.8 33.8 230 240 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.874 98.7 65.6 -56.0 -39.3 4.4 26.2 35.2 231 241 A C T 3< S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.619 88.0 72.1 -60.9 -10.0 5.6 29.5 36.6 232 242 A I T <4 S+ 0 0 87 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.921 81.6 86.8 -68.0 -45.4 2.5 29.3 38.9 233 243 A L S X< S- 0 0 3 -3,-1.3 3,-1.7 -4,-0.5 2,-0.1 -0.254 93.7 -98.6 -60.7 140.8 4.2 26.5 41.0 234 244 A P T 3 S+ 0 0 49 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.377 107.2 16.2 -62.4 129.3 6.5 27.5 43.9 235 245 A G T 3 S+ 0 0 22 1,-0.1 2,-0.8 -2,-0.1 -97,-0.2 0.402 95.6 116.5 87.6 -3.1 10.2 27.4 43.0 236 246 A V < + 0 0 8 -3,-1.7 -1,-0.1 -6,-0.2 2,-0.1 -0.818 36.9 162.0-104.0 97.3 9.5 27.4 39.2 237 247 A G > - 0 0 40 -2,-0.8 4,-2.3 -3,-0.1 5,-0.3 -0.135 58.9 -68.7 -95.5-163.4 10.9 30.5 37.6 238 248 A T H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.898 131.1 45.9 -57.1 -45.3 11.7 31.3 34.0 239 249 A K H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.971 113.1 46.2 -64.4 -56.4 14.6 28.8 33.8 240 250 A V H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 113.4 50.4 -53.6 -45.7 13.0 25.8 35.5 241 251 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 111.4 48.9 -62.0 -39.6 9.8 26.2 33.4 242 252 A D H X S+ 0 0 9 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.899 109.0 52.0 -67.0 -40.8 11.8 26.4 30.2 243 253 A C H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.951 112.8 46.4 -59.3 -46.9 13.8 23.3 31.2 244 254 A I H X>S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-1.4 0.909 111.5 49.9 -61.5 -46.5 10.6 21.4 31.8 245 255 A C H X5S+ 0 0 0 -4,-2.6 6,-2.4 3,-0.2 4,-0.6 0.937 118.0 40.3 -58.5 -46.7 8.9 22.6 28.5 246 256 A L H <5S+ 0 0 2 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.872 124.8 33.8 -70.2 -41.3 12.0 21.6 26.5 247 257 A M H <5S+ 0 0 10 -4,-2.8 -122,-3.1 -5,-0.3 -3,-0.2 0.623 135.9 13.4 -96.2 -13.6 12.8 18.3 28.2 248 258 A A H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.574 121.3 52.4-135.0 -20.4 9.4 16.9 29.2 249 259 A L S < + 0 0 12 -6,-2.4 3,-1.7 -7,-0.2 -1,-0.2 -0.753 22.9 175.7-109.5 81.9 8.5 22.3 23.3 252 262 A P T 3 S+ 0 0 24 0, 0.0 50,-2.5 0, 0.0 51,-0.8 0.525 74.2 60.9 -63.8 -8.5 11.8 22.2 21.3 253 263 A Q T 3 S+ 0 0 52 48,-0.2 2,-0.2 47,-0.2 47,-0.1 0.529 77.0 110.4 -96.4 -8.9 11.9 26.0 20.9 254 264 A A < - 0 0 0 -3,-1.7 -3,-0.0 45,-0.1 -12,-0.0 -0.483 53.0-161.4 -68.8 136.0 12.1 26.6 24.6 255 265 A V - 0 0 1 -2,-0.2 2,-0.2 50,-0.1 -12,-0.1 -0.892 10.3-143.2-124.6 101.8 15.5 27.9 25.7 256 266 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 -17,-0.1 -0.445 16.7-151.5 -63.7 128.4 16.5 27.7 29.3 257 267 A V + 0 0 11 -2,-0.2 2,-0.2 4,-0.1 -18,-0.1 -0.914 33.0 141.1-107.4 118.2 18.5 30.8 30.2 258 268 A D > - 0 0 17 -2,-0.6 4,-1.8 -19,-0.1 5,-0.2 -0.628 68.3 -72.2-135.3-167.6 21.1 30.4 33.0 259 269 A V H > S+ 0 0 110 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.872 128.8 53.1 -63.1 -37.6 24.6 31.5 33.8 260 270 A H H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 109.2 46.4 -65.7 -44.3 26.1 29.2 31.1 261 271 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 111.4 52.9 -69.0 -30.3 23.9 30.6 28.3 262 272 A W H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.917 111.0 46.6 -67.3 -42.4 24.6 34.1 29.4 263 273 A H H X S+ 0 0 93 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.919 113.8 48.2 -64.8 -44.1 28.4 33.4 29.3 264 274 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.901 111.1 51.4 -62.1 -42.6 28.0 31.7 25.9 265 275 A A H X S+ 0 0 0 -4,-2.4 6,-2.0 2,-0.2 4,-1.2 0.944 116.6 38.6 -59.5 -51.3 25.9 34.7 24.6 266 276 A Q H X S+ 0 0 86 -4,-2.4 4,-0.6 4,-0.2 -2,-0.2 0.904 123.0 39.6 -68.1 -44.0 28.4 37.3 25.6 267 277 A R H < S+ 0 0 122 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.845 125.8 30.3 -78.9 -35.6 31.6 35.4 24.8 268 278 A D H < S+ 0 0 40 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.564 135.3 22.9-104.6 -7.2 30.6 33.7 21.5 269 279 A Y H < S- 0 0 46 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.1 0.404 90.8-127.2-133.4 -5.6 28.2 36.2 20.0 270 280 A S < + 0 0 90 -4,-0.6 -4,-0.2 -5,-0.3 -3,-0.1 0.863 48.7 178.5 55.6 36.7 29.1 39.4 21.7 271 281 A W + 0 0 21 -6,-2.0 -1,-0.2 -7,-0.1 -2,-0.1 -0.361 13.9 176.7 -72.8 150.4 25.4 39.7 22.7 272 282 A H - 0 0 117 -3,-0.1 2,-0.1 -2,-0.1 7,-0.1 -0.983 38.1 -98.6-151.7 145.3 24.0 42.5 24.8 273 283 A P + 0 0 21 0, 0.0 12,-0.1 0, 0.0 13,-0.0 -0.438 42.4 167.7 -65.6 139.1 20.4 43.3 25.9 274 284 A T S S+ 0 0 117 -2,-0.1 11,-0.0 11,-0.1 5,-0.0 0.624 72.8 45.0-124.9 -29.7 18.9 46.0 23.6 275 285 A T S S+ 0 0 115 9,-0.1 2,-0.3 10,-0.1 10,-0.0 0.516 110.3 66.9 -92.6 -6.4 15.2 46.1 24.4 276 286 A S S S- 0 0 21 2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.819 71.2-143.1-115.2 155.5 15.9 46.0 28.2 277 287 A Q S S+ 0 0 146 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.820 74.9 92.2 -83.4 -35.6 17.6 48.6 30.4 278 288 A A - 0 0 32 1,-0.1 -2,-0.2 2,-0.1 4,-0.1 -0.214 63.1-152.4 -59.6 151.5 19.4 46.1 32.7 279 289 A K S S+ 0 0 169 2,-0.1 -1,-0.1 -7,-0.1 3,-0.1 0.600 75.8 28.0-100.3 -16.7 23.0 45.2 31.6 280 290 A G S S- 0 0 25 1,-0.2 5,-0.2 -8,-0.1 6,-0.1 -0.501 109.3 -31.2-127.9-163.7 22.9 41.8 33.2 281 291 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.251 70.3 132.7 -56.7 138.8 20.6 38.9 34.1 282 292 A S S > S- 0 0 22 -4,-0.1 4,-2.8 -3,-0.1 5,-0.4 -0.918 71.7 -87.4-175.6 161.2 17.1 40.0 35.1 283 293 A P H > S+ 0 0 89 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.863 127.9 44.8 -51.6 -36.1 13.5 38.9 34.2 284 294 A Q H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.949 115.0 44.5 -74.1 -49.0 13.6 41.2 31.2 285 295 A T H > S+ 0 0 0 -5,-0.2 4,-2.7 1,-0.2 5,-0.2 0.848 110.7 54.7 -64.6 -36.4 17.1 40.4 29.8 286 296 A N H X S+ 0 0 35 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.882 107.7 50.5 -65.5 -36.7 16.6 36.6 30.3 287 297 A K H X S+ 0 0 143 -4,-1.1 4,-2.0 -5,-0.4 -1,-0.2 0.893 110.2 50.4 -67.7 -37.8 13.5 36.8 28.2 288 298 A E H X S+ 0 0 21 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.952 108.0 51.7 -65.0 -48.2 15.4 38.7 25.5 289 299 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.920 108.2 52.9 -54.3 -46.2 18.2 36.2 25.4 290 300 A G H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.938 111.2 45.4 -54.6 -49.2 15.7 33.4 24.9 291 301 A N H X S+ 0 0 83 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.881 110.6 55.8 -62.0 -37.9 14.1 35.2 22.0 292 302 A F H X S+ 0 0 56 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.956 109.9 43.5 -60.0 -52.5 17.6 35.9 20.7 293 303 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.4 0.848 113.3 52.6 -64.2 -31.9 18.6 32.2 20.6 294 304 A R H X S+ 0 0 50 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.937 109.2 49.2 -68.2 -42.6 15.2 31.3 19.2 295 305 A S H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 114.8 46.6 -64.1 -32.5 15.7 33.8 16.4 296 306 A L H < S+ 0 0 43 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.931 126.1 23.0 -76.7 -46.4 19.2 32.4 15.7 297 307 A W H < S- 0 0 2 -4,-2.6 3,-0.4 1,-0.2 -3,-0.2 0.711 94.4-146.7 -98.5 -21.9 18.4 28.7 15.7 298 308 A G >< - 0 0 24 -4,-2.6 3,-1.6 -5,-0.4 -1,-0.2 -0.612 56.4 -9.7 98.9-157.5 14.8 28.4 14.9 299 309 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.716 136.7 44.3 -55.0 -32.8 12.0 25.9 15.9 300 310 A Y T >> S+ 0 0 87 -3,-0.4 4,-1.6 1,-0.2 3,-1.0 -0.067 73.4 130.6-107.4 34.0 14.5 23.5 17.6 301 311 A A H <> + 0 0 0 -3,-1.6 4,-2.2 1,-0.3 -48,-0.2 0.783 67.8 58.9 -55.4 -34.2 16.5 26.2 19.3 302 312 A G H 3> S+ 0 0 0 -50,-2.5 4,-1.2 -3,-0.3 -1,-0.3 0.846 104.5 50.6 -66.5 -33.6 16.3 24.4 22.7 303 313 A W H <> S+ 0 0 4 -3,-1.0 4,-1.1 -51,-0.8 -2,-0.2 0.902 109.2 49.3 -70.7 -41.6 18.1 21.4 21.1 304 314 A A H >X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-0.8 0.913 108.2 56.1 -61.5 -41.1 20.9 23.6 19.7 305 315 A Q H 3X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.835 100.4 59.0 -57.2 -35.3 21.1 25.1 23.2 306 316 A A H 3X S+ 0 0 5 -4,-1.2 4,-2.0 2,-0.2 -1,-0.3 0.827 104.1 51.2 -66.0 -32.3 21.7 21.6 24.6 307 317 A V H