==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 02-FEB-05 1YQR . COMPND 2 MOLECULE: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BANERJEE,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) . 14107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 68.5 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 . 28 8.9 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 . 39 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 38.5 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 1 1 1 2 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 0 2 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 S 0 0 104 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 28.8 -13.2 36.4 2 10 A E + 0 0 157 4,-0.0 2,-0.3 73,-0.0 4,-0.1 0.615 360.0 64.3 -76.5 -12.6 25.2 -13.3 37.4 3 11 A F S S+ 0 0 160 2,-0.1 160,-0.1 160,-0.1 2,-0.0 -0.739 80.2 23.5-118.1 163.8 25.6 -10.3 39.8 4 12 A G S S- 0 0 10 -2,-0.3 2,-0.2 158,-0.2 158,-0.0 -0.101 101.4 -30.9 80.8 176.7 26.4 -6.6 39.7 5 13 A H S S- 0 0 21 158,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.473 71.7-126.0 -66.9 135.9 26.1 -4.2 36.9 6 14 A R - 0 0 31 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.356 18.0-157.6 -81.8 163.1 26.6 -5.9 33.5 7 15 A T > - 0 0 34 -2,-0.1 4,-1.6 1,-0.1 8,-0.1 -0.915 32.0-112.1-132.8 158.2 29.0 -4.9 30.8 8 16 A L T 4 S+ 0 0 49 -2,-0.3 7,-0.2 1,-0.2 6,-0.1 0.854 117.0 47.8 -60.6 -34.8 28.7 -5.8 27.1 9 17 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.891 110.0 49.3 -74.3 -41.2 31.7 -8.1 27.4 10 18 A S T 4 S+ 0 0 62 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.778 125.1 22.1 -73.0 -30.5 30.8 -10.0 30.5 11 19 A T >< + 0 0 19 -4,-1.6 3,-2.1 1,-0.1 4,-0.3 -0.405 67.9 164.9-138.8 63.7 27.2 -11.0 29.6 12 20 A P G > S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.797 73.7 58.0 -46.0 -45.0 26.9 -10.9 25.7 13 21 A A G 3 S+ 0 0 88 1,-0.3 64,-0.4 64,-0.1 -5,-0.0 0.598 100.0 60.9 -69.5 -8.5 23.6 -12.8 25.5 14 22 A L G < S+ 0 0 31 -3,-2.1 55,-0.4 -6,-0.1 2,-0.3 0.512 91.4 79.7 -96.5 -4.5 21.9 -10.2 27.7 15 23 A W < - 0 0 20 -3,-1.4 2,-0.4 -4,-0.3 53,-0.2 -0.813 53.0-173.4-106.9 145.2 22.4 -7.2 25.4 16 24 A A E -A 67 0A 23 51,-2.2 51,-3.2 -2,-0.3 2,-0.2 -0.960 19.7-135.9-129.5 146.5 20.4 -6.3 22.3 17 25 A S E -A 66 0A 52 -2,-0.4 49,-0.2 49,-0.2 43,-0.1 -0.635 9.1-153.3-109.3 165.6 21.5 -3.4 20.0 18 26 A I E -A 65 0A 5 47,-1.8 47,-2.3 -2,-0.2 2,-0.1 -0.997 35.4-109.5-133.2 123.8 19.8 -0.5 18.3 19 27 A P E +A 64 0A 103 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.378 61.1 143.3 -55.5 121.4 21.3 0.9 15.1 20 28 A C - 0 0 4 43,-2.5 41,-0.2 -2,-0.1 -2,-0.1 -0.648 39.7-144.2-167.4 102.9 22.6 4.3 16.2 21 29 A P >> - 0 0 37 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.326 27.1-118.0 -68.2 152.3 25.8 6.0 15.1 22 30 A R G >4 S+ 0 0 90 40,-1.6 3,-0.6 1,-0.3 41,-0.1 0.817 115.0 66.0 -60.4 -28.9 27.8 8.0 17.6 23 31 A S G 34 S+ 0 0 66 39,-0.3 96,-1.0 1,-0.2 -1,-0.3 0.714 104.1 46.3 -65.4 -18.6 27.2 11.1 15.4 24 32 A E G <4 S+ 0 0 24 -3,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.615 128.8 9.9 -96.0 -16.4 23.5 10.6 16.3 25 33 A L << - 0 0 0 -4,-0.8 2,-0.6 -3,-0.6 -1,-0.3 -0.851 50.2-170.5-168.2 126.4 24.1 10.2 20.0 26 34 A R >> - 0 0 42 93,-2.4 3,-1.9 -2,-0.3 4,-1.0 -0.910 9.1-165.8-120.8 99.7 26.9 10.5 22.5 27 35 A L H >> S+ 0 0 2 -2,-0.6 4,-1.8 1,-0.3 3,-0.9 0.892 88.7 55.8 -50.6 -44.9 25.9 9.0 25.9 28 36 A D H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.627 111.7 43.9 -68.0 -10.0 28.8 10.7 27.7 29 37 A L H <4 S+ 0 0 9 -3,-1.9 -1,-0.2 90,-0.1 -2,-0.2 0.515 123.7 33.7-108.7 -8.9 27.8 14.1 26.4 30 38 A V H X<>S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.9 5,-0.6 0.810 110.1 53.8-107.8 -59.5 24.0 13.7 27.1 31 39 A L T 3<5S+ 0 0 1 -4,-1.8 8,-0.4 1,-0.3 3,-0.3 0.791 118.5 31.6 -51.7 -40.5 23.5 11.6 30.2 32 40 A P T 3 5S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.286 95.8 93.0-104.3 13.0 25.7 13.6 32.7 33 41 A S T < 5S- 0 0 2 -3,-1.4 -2,-0.1 1,-0.0 4,-0.1 0.231 106.7 -87.2 -92.4 13.2 25.2 17.0 31.1 34 42 A G T 5S+ 0 0 10 2,-0.5 3,-0.2 -3,-0.3 -3,-0.1 0.693 102.4 98.4 95.2 17.2 22.2 18.3 33.2 35 43 A Q S S-B 46 0A 26 3,-1.2 3,-3.2 -3,-0.2 -1,-0.1 -0.951 113.5 -75.6-127.7 147.6 31.5 0.9 34.6 44 52 A P T 3 S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.177 119.6 -1.8 -46.3 129.0 33.6 2.8 32.1 45 53 A A T 3 S+ 0 0 52 1,-0.1 2,-0.6 -4,-0.1 15,-0.4 0.464 110.8 111.4 65.8 3.3 31.4 3.7 29.1 46 54 A H E < -B 43 0A 22 -3,-3.2 -3,-1.2 13,-0.1 2,-0.5 -0.935 49.6-165.6-113.3 118.5 28.4 1.9 30.8 47 55 A W E - C 0 58A 18 11,-3.0 11,-2.7 -2,-0.6 2,-0.4 -0.881 3.6-168.9-107.2 125.0 25.5 4.0 32.0 48 56 A S E +BC 40 57A 1 -8,-2.9 -8,-2.3 -2,-0.5 2,-0.3 -0.879 24.0 120.3-114.1 144.5 22.9 2.7 34.4 49 57 A G E -BC 39 56A 1 7,-2.0 7,-2.3 -2,-0.4 2,-0.5 -0.983 60.2 -67.9-179.1 177.0 19.6 4.2 35.4 50 58 A V E + C 0 55A 20 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.745 46.6 171.5 -89.5 130.2 15.8 4.0 35.5 51 59 A L E > - C 0 54A 5 3,-3.6 3,-1.3 -2,-0.5 35,-0.1 -0.984 69.5 -10.6-140.8 123.8 14.1 4.1 32.1 52 60 A A T 3 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.913 130.0 -53.4 52.8 47.1 10.4 3.4 31.6 53 61 A D T 3 S+ 0 0 140 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.612 122.8 91.1 65.4 16.5 10.1 2.1 35.1 54 62 A Q E < S-C 51 0A 49 -3,-1.3 -3,-3.6 106,-0.1 2,-0.3 -0.956 78.1-110.0-137.9 156.8 12.9 -0.4 34.7 55 63 A V E +CD 50 70A 1 15,-0.9 15,-2.4 -2,-0.3 2,-0.3 -0.675 40.7 174.1 -87.0 139.8 16.7 -0.4 35.3 56 64 A W E -CD 49 69A 1 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.4 -0.941 25.5-148.0-140.8 161.4 18.9 -0.5 32.3 57 65 A T E -CD 48 68A 0 11,-1.8 11,-1.4 -2,-0.3 2,-0.4 -0.995 22.2-167.4-130.3 132.8 22.6 -0.2 31.4 58 66 A L E +CD 47 67A 0 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.3 -0.944 14.7 161.1-126.6 148.8 23.5 1.4 28.1 59 67 A T E - D 0 66A 9 7,-1.8 7,-3.2 -2,-0.4 2,-0.3 -0.968 20.8-142.1-159.5 150.3 26.8 1.5 26.2 60 68 A Q E - D 0 65A 33 -15,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.872 9.3-163.9-127.0 157.9 27.7 2.2 22.6 61 69 A T - 0 0 59 3,-2.9 -39,-0.0 -2,-0.3 -41,-0.0 -0.528 56.5 -77.2-115.5-172.8 30.0 1.2 19.8 62 70 A E S S+ 0 0 115 -2,-0.2 -40,-1.6 1,-0.2 -39,-0.3 0.878 128.2 12.0 -59.9 -38.4 30.7 3.1 16.7 63 71 A E S S+ 0 0 105 -42,-0.2 -43,-2.5 -41,-0.1 2,-0.4 0.483 119.9 66.8-118.4 -4.6 27.5 2.1 15.0 64 72 A Q E -A 19 0A 56 -45,-0.2 -3,-2.9 -47,-0.0 2,-0.6 -0.919 56.6-149.3-127.9 148.8 25.4 0.5 17.8 65 73 A L E -AD 18 60A 0 -47,-2.3 -47,-1.8 -2,-0.4 2,-0.5 -0.959 27.7-153.3-108.0 112.2 23.7 1.4 21.0 66 74 A H E -AD 17 59A 27 -7,-3.2 -7,-1.8 -2,-0.6 2,-0.3 -0.788 14.6-171.5 -92.8 130.2 23.8 -1.7 23.2 67 75 A C E +AD 16 58A 0 -51,-3.2 -51,-2.2 -2,-0.5 2,-0.3 -0.921 13.5 179.4-125.7 148.6 21.1 -2.1 25.8 68 76 A T E - D 0 57A 0 -11,-1.4 -11,-1.8 -2,-0.3 2,-0.3 -0.995 12.4-153.6-144.6 141.7 20.4 -4.4 28.7 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.6 7,-0.4 7,-0.3 -0.889 9.9-154.5-119.8 150.5 17.4 -4.5 31.1 70 78 A Y E D 0 55A 16 -15,-2.4 -15,-0.9 -2,-0.3 91,-0.2 -0.903 360.0 360.0-122.7 98.2 17.0 -5.8 34.7 71 79 A R 0 0 96 -2,-0.6 -1,-0.1 -17,-0.1 3,-0.1 0.848 360.0 360.0 -77.1 360.0 13.4 -6.6 35.3 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 0 143 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.6 12.1 -13.8 36.1 74 84 A Q - 0 0 86 1,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.292 360.0-102.5 -59.7 136.2 15.1 -15.3 34.2 75 85 A A + 0 0 64 -5,-0.0 2,-0.3 -4,-0.0 -1,-0.1 -0.368 54.7 163.1 -60.9 133.5 17.5 -12.8 32.8 76 86 A S - 0 0 52 -7,-0.3 -7,-0.4 -62,-0.1 -62,-0.1 -0.973 42.3 -83.8-150.5 161.4 17.1 -12.3 29.1 77 87 A R - 0 0 37 -64,-0.4 -62,-0.2 -2,-0.3 -9,-0.1 -0.162 62.3 -85.2 -60.9 158.3 18.0 -9.8 26.3 78 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.425 45.8-123.5 -68.1 145.2 15.7 -6.8 25.9 79 89 A T > - 0 0 56 -3,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.391 25.2-103.3 -84.1 166.1 12.6 -7.3 23.8 80 90 A P H > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.860 121.2 48.9 -55.5 -40.2 11.7 -5.3 20.7 81 91 A D H > S+ 0 0 131 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.912 111.1 46.7 -68.7 -46.0 9.0 -3.3 22.6 82 92 A E H > S+ 0 0 32 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.850 111.0 56.0 -64.1 -31.9 11.3 -2.5 25.6 83 93 A L H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.854 101.6 55.1 -67.8 -35.3 13.8 -1.5 23.0 84 94 A E H X S+ 0 0 94 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.810 99.5 61.9 -68.1 -27.4 11.3 0.9 21.5 85 95 A A H X S+ 0 0 29 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.898 105.4 47.2 -63.5 -38.4 11.1 2.5 25.0 86 96 A V H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.928 111.1 49.6 -67.5 -46.8 14.8 3.3 24.7 87 97 A R H <>S+ 0 0 58 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.872 111.9 49.7 -61.7 -34.9 14.4 4.7 21.2 88 98 A K H ><5S+ 0 0 125 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.960 107.0 54.4 -67.7 -47.8 11.5 6.8 22.4 89 99 A Y H 3<5S+ 0 0 28 -4,-2.4 35,-2.8 1,-0.3 -2,-0.2 0.852 116.1 37.9 -53.7 -39.7 13.5 8.1 25.4 90 100 A F T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 33,-0.2 -2,-0.2 0.398 104.8-130.2 -94.3 4.3 16.3 9.3 23.1 91 101 A Q T X 5 + 0 0 33 -3,-1.6 3,-2.1 -4,-0.4 -3,-0.2 0.892 38.2 175.0 47.5 48.9 13.9 10.5 20.4 92 102 A L T 3 < + 0 0 21 -5,-2.1 -1,-0.1 1,-0.3 4,-0.1 0.575 66.3 71.7 -61.8 -13.1 15.9 8.6 17.8 93 103 A D T 3 S+ 0 0 132 -6,-0.3 2,-0.7 -5,-0.1 -1,-0.3 0.658 81.5 85.1 -76.8 -15.4 13.4 9.3 15.0 94 104 A V S < S- 0 0 31 -3,-2.1 2,-0.8 -4,-0.1 3,-0.1 -0.799 85.0-136.9 -86.1 115.0 14.7 12.9 15.1 95 105 A T >> - 0 0 67 -2,-0.7 4,-1.3 1,-0.2 3,-0.6 -0.645 13.8-164.3 -77.8 111.8 17.8 12.9 12.9 96 106 A L H 3> S+ 0 0 0 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.856 86.0 61.8 -64.1 -35.8 20.5 14.8 14.7 97 107 A A H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.832 102.6 52.3 -61.6 -30.4 22.6 15.2 11.6 98 108 A Q H <> S+ 0 0 134 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.888 112.1 44.1 -72.1 -40.6 19.8 17.2 10.0 99 109 A L H X S+ 0 0 25 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.954 112.6 51.4 -67.9 -49.3 19.5 19.6 12.9 100 110 A Y H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.870 109.4 52.0 -55.1 -40.1 23.2 20.1 13.2 101 111 A H H X S+ 0 0 127 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.956 112.7 44.1 -62.2 -51.4 23.4 20.9 9.5 102 112 A H H X S+ 0 0 83 -4,-1.9 4,-2.0 2,-0.2 3,-0.5 0.973 115.3 45.8 -58.6 -58.7 20.7 23.5 9.7 103 113 A W H X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.3 8,-0.3 0.910 112.7 54.2 -51.8 -42.3 22.0 25.2 12.8 104 114 A G H < S+ 0 0 6 -4,-2.4 3,-0.4 -5,-0.3 7,-0.4 0.881 106.6 50.8 -59.9 -39.3 25.5 25.0 11.3 105 115 A S H < S+ 0 0 80 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.873 116.3 38.8 -67.7 -39.8 24.3 26.8 8.1 106 116 A V H < S+ 0 0 70 -4,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.426 121.3 44.6 -92.2 0.9 22.6 29.7 9.9 107 117 A D X - 0 0 10 -4,-0.9 4,-2.1 -3,-0.4 3,-0.3 -0.737 57.0-168.8-152.0 99.5 25.3 30.1 12.6 108 118 A S H > S+ 0 0 100 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.823 92.6 52.9 -53.7 -38.0 29.0 30.0 12.0 109 119 A H H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 106.1 52.8 -69.4 -37.9 29.8 29.7 15.7 110 120 A F H > S+ 0 0 0 -3,-0.3 4,-3.3 -7,-0.2 5,-0.2 0.950 106.8 53.2 -60.6 -46.7 27.5 26.7 16.1 111 121 A Q H X S+ 0 0 122 -4,-2.1 4,-1.1 -7,-0.4 -1,-0.2 0.875 106.5 53.2 -55.7 -39.0 29.2 24.9 13.2 112 122 A E H >< S+ 0 0 64 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.973 116.0 37.6 -61.0 -54.1 32.6 25.5 14.9 113 123 A V H >X S+ 0 0 30 -4,-2.1 3,-1.5 1,-0.2 4,-0.6 0.881 109.4 62.4 -64.5 -40.9 31.6 23.9 18.2 114 124 A A H >< S+ 0 0 12 -4,-3.3 3,-0.6 1,-0.3 -1,-0.2 0.761 90.6 69.4 -57.3 -27.0 29.4 21.2 16.6 115 125 A Q T << S+ 0 0 84 -4,-1.1 -1,-0.3 -3,-0.7 3,-0.2 0.846 110.5 31.6 -62.2 -33.1 32.5 19.8 14.9 116 126 A K T <4 S+ 0 0 169 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.348 119.1 53.1-107.3 5.3 33.8 18.6 18.3 117 127 A F X< + 0 0 34 -3,-0.6 3,-0.6 -4,-0.6 -1,-0.2 -0.386 66.9 159.0-138.2 60.8 30.5 17.9 20.1 118 128 A Q T 3 + 0 0 34 -3,-0.2 -94,-0.1 1,-0.2 -95,-0.1 -0.382 55.0 42.8 -77.5 159.3 28.5 15.5 17.9 119 129 A G T 3 + 0 0 0 -96,-1.0 -93,-2.4 1,-0.2 2,-0.7 0.562 66.8 139.2 85.5 7.9 25.7 13.5 19.5 120 130 A V < + 0 0 1 -3,-0.6 2,-0.2 -95,-0.2 -1,-0.2 -0.797 23.5 147.8 -91.2 114.2 24.0 16.0 21.8 121 131 A R - 0 0 0 -2,-0.7 2,-0.4 -95,-0.1 -30,-0.1 -0.766 47.5 -90.5-132.7 177.9 20.2 15.5 21.7 122 132 A L - 0 0 1 -2,-0.2 2,-0.2 -32,-0.1 181,-0.0 -0.803 28.2-135.4-100.4 135.1 17.3 15.8 24.1 123 133 A L - 0 0 0 -2,-0.4 2,-0.9 -93,-0.1 -33,-0.2 -0.566 20.3-127.6 -78.7 149.6 16.0 13.0 26.2 124 134 A R - 0 0 89 -35,-2.8 124,-0.2 -2,-0.2 2,-0.1 -0.848 42.1-171.9-100.9 98.4 12.2 12.8 26.3 125 135 A Q - 0 0 7 122,-2.7 -89,-0.0 -2,-0.9 3,-0.0 -0.447 29.1 -96.9 -96.0 165.2 11.5 12.8 30.0 126 136 A D > - 0 0 75 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.573 32.0-131.6 -75.6 135.4 8.6 12.3 32.3 127 137 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.883 103.0 51.6 -54.6 -45.5 7.0 15.6 33.4 128 138 A I H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.959 113.2 41.7 -60.9 -55.0 6.9 14.8 37.1 129 139 A E H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 117.6 49.3 -59.0 -43.0 10.6 13.8 37.4 130 140 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.899 109.5 51.2 -64.7 -40.5 11.6 16.7 35.2 131 141 A L H X S+ 0 0 0 -4,-3.0 4,-1.1 -5,-0.2 -1,-0.2 0.932 117.5 37.2 -63.0 -47.3 9.5 19.2 37.2 132 142 A F H X S+ 0 0 1 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.814 112.5 56.6 -78.6 -29.9 11.0 18.2 40.6 133 143 A S H < S+ 0 0 2 -4,-2.6 3,-0.3 -5,-0.3 4,-0.3 0.963 113.3 41.4 -65.6 -46.5 14.5 17.5 39.4 134 144 A F H < S+ 0 0 8 -4,-2.0 4,-0.4 1,-0.2 3,-0.4 0.728 103.5 64.0 -76.0 -18.8 14.8 21.1 38.1 135 145 A I H >< S+ 0 0 1 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.888 106.9 48.6 -65.5 -33.4 13.0 22.7 41.0 136 146 A C T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.621 93.9 75.9 -77.5 -14.0 16.1 21.3 42.8 137 147 A S T > + 0 0 13 -3,-0.4 3,-1.3 -4,-0.3 -1,-0.2 0.651 65.1 125.3 -73.0 -13.4 18.4 22.8 40.1 138 148 A S T < S- 0 0 42 -3,-0.8 56,-0.1 -4,-0.4 3,-0.1 -0.225 92.2 -17.0 -50.2 123.5 17.9 26.3 41.6 139 149 A C T 3 S+ 0 0 109 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.911 115.1 125.4 41.4 57.7 21.3 27.8 42.5 140 150 A N < - 0 0 29 -3,-1.3 2,-0.3 4,-0.0 -1,-0.2 -0.990 60.1-127.2-146.5 151.2 22.9 24.4 42.2 141 151 A N > - 0 0 92 -2,-0.3 4,-2.8 -3,-0.1 3,-0.4 -0.742 35.8-109.6 -97.7 147.6 25.6 22.5 40.4 142 152 A I H > S+ 0 0 43 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.805 116.3 52.5 -42.5 -42.1 24.9 19.3 38.5 143 153 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 112.6 42.1 -65.5 -48.1 26.7 17.1 41.0 144 154 A R H > S+ 0 0 107 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.898 114.9 52.6 -64.0 -40.1 24.9 18.4 44.1 145 155 A I H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.952 107.5 52.0 -58.8 -47.8 21.6 18.3 42.1 146 156 A T H X S+ 0 0 16 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.900 109.7 50.4 -55.1 -43.0 22.4 14.7 41.3 147 157 A G H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.938 109.9 47.4 -62.2 -49.9 22.9 14.0 45.0 148 158 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.927 112.0 51.6 -58.1 -45.9 19.6 15.6 46.1 149 159 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.847 109.0 49.0 -62.5 -36.5 17.7 13.7 43.4 150 160 A E H X S+ 0 0 68 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.934 114.2 45.8 -68.7 -44.4 19.1 10.3 44.4 151 161 A R H X S+ 0 0 93 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.3 51.4 -63.2 -42.7 18.3 10.9 48.0 152 162 A L H X S+ 0 0 2 -4,-2.9 4,-1.6 -5,-0.2 5,-0.2 0.898 114.4 43.1 -61.9 -41.2 14.8 12.1 47.2 153 163 A C H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.897 111.9 53.7 -72.5 -39.4 14.1 9.1 45.1 154 164 A Q H < S+ 0 0 127 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.4 40.0 -61.1 -42.5 15.7 6.7 47.6 155 165 A A H < S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.748 134.4 16.0 -79.9 -26.9 13.4 8.0 50.4 156 166 A F H < S+ 0 0 45 -4,-1.6 17,-0.5 -5,-0.2 -3,-0.2 0.453 102.2 93.8-128.4 -1.9 10.1 8.4 48.4 157 167 A G S < S- 0 0 13 -4,-2.7 14,-0.2 -5,-0.2 2,-0.0 -0.604 82.7 -91.3 -95.8 156.2 10.4 6.5 45.2 158 168 A P - 0 0 76 0, 0.0 12,-3.0 0, 0.0 2,-0.4 -0.353 45.1-115.3 -62.2 138.4 9.3 2.9 44.5 159 169 A R E +E 169 0B 179 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.632 40.3 173.8 -78.3 128.5 12.1 0.3 45.2 160 170 A L E - 0 0 54 8,-3.5 2,-0.1 -2,-0.4 -1,-0.1 0.210 43.0 -37.4-106.6-131.2 13.2 -1.5 42.0 161 171 A I E - 0 0 44 -91,-0.2 7,-2.7 6,-0.1 2,-0.4 -0.479 50.4-125.3 -97.1 171.2 16.1 -3.9 41.7 162 172 A Q E -E 167 0B 119 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.957 18.5-175.0-119.9 128.1 19.6 -4.0 43.3 163 173 A L E > -E 166 0B 14 3,-2.5 3,-2.8 -2,-0.4 2,-0.1 -0.988 67.9 -41.6-121.3 124.1 22.9 -4.2 41.5 164 174 A D T 3 S- 0 0 97 -2,-0.5 -160,-0.1 1,-0.3 -2,-0.0 -0.401 125.9 -26.4 56.3-124.7 26.0 -4.5 43.6 165 175 A D T 3 S+ 0 0 148 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.145 117.7 103.2-104.3 19.7 25.4 -2.1 46.5 166 176 A V E < -E 163 0B 36 -3,-2.8 -3,-2.5 2,-0.0 2,-0.6 -0.897 52.4-163.9-107.1 122.9 23.1 0.1 44.5 167 177 A T E -E 162 0B 48 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.916 18.0-140.6-104.1 119.1 19.4 -0.1 45.1 168 178 A Y E - 0 0 19 -7,-2.7 -8,-3.5 -2,-0.6 2,-0.4 -0.577 16.4-166.3 -82.2 140.6 17.4 1.6 42.3 169 179 A H E -E 159 0B 23 -2,-0.3 -10,-0.2 -10,-0.2 -119,-0.1 -0.968 17.4-128.6-125.4 141.4 14.3 3.6 43.0 170 180 A G - 0 0 6 -12,-3.0 -14,-0.1 -2,-0.4 3,-0.1 -0.364 48.6 -79.9 -77.2 166.9 11.7 4.9 40.6 171 181 A F - 0 0 27 -14,-0.2 -1,-0.1 1,-0.1 -42,-0.1 -0.441 55.6-101.2 -69.7 141.1 10.8 8.6 40.7 172 182 A P - 0 0 2 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.233 35.2-122.7 -60.2 150.7 8.4 9.5 43.5 173 183 A S > - 0 0 58 -17,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.345 25.8-104.6 -85.7 173.4 4.8 10.1 42.7 174 184 A L H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.919 119.7 54.0 -63.8 -45.7 2.9 13.3 43.4 175 185 A Q H > S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.918 109.5 46.6 -57.3 -46.5 1.1 11.8 46.4 176 186 A A H >4 S+ 0 0 33 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.929 113.6 47.7 -64.2 -43.6 4.3 10.7 48.1 177 187 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.786 112.6 51.0 -68.0 -24.5 5.9 14.1 47.5 178 188 A A H 3< S+ 0 0 14 -4,-2.1 -1,-0.2 24,-0.2 -2,-0.2 0.620 88.6 116.9 -85.9 -14.3 2.8 15.8 48.8 179 189 A G S X< S- 0 0 17 -4,-1.0 3,-1.1 -3,-0.7 4,-0.3 0.133 76.3 -77.5 -50.4 166.2 2.7 13.6 52.0 180 190 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.386 110.6 7.9 -71.6 146.2 3.1 15.0 55.5 181 191 A E T 3> S+ 0 0 162 -3,-0.1 4,-2.0 -2,-0.1 5,-0.2 0.566 85.7 129.9 62.0 12.1 6.5 16.0 56.9 182 192 A V H <> + 0 0 3 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.950 69.5 52.4 -59.2 -49.4 8.1 15.5 53.4 183 193 A E H > S+ 0 0 41 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.945 109.2 48.4 -51.6 -54.8 9.7 18.9 53.5 184 194 A A H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 112.7 49.7 -55.3 -37.5 11.4 18.3 56.9 185 195 A H H X S+ 0 0 80 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.911 110.9 48.7 -69.0 -41.4 12.6 14.9 55.6 186 196 A L H <>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 3,-0.3 0.876 107.6 55.4 -65.7 -36.9 14.0 16.5 52.4 187 197 A R H ><5S+ 0 0 96 -4,-2.8 3,-1.8 1,-0.3 5,-0.3 0.911 106.1 50.7 -62.4 -40.1 15.7 19.2 54.5 188 198 A K H 3<5S+ 0 0 185 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.4 57.2 -68.0 -20.4 17.4 16.3 56.4 189 199 A L T 3<5S- 0 0 33 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.358 124.0-108.3 -89.8 4.5 18.4 15.0 53.0 190 200 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.667 77.3 132.3 81.4 21.1 20.1 18.3 52.3 191 201 A L > < - 0 0 0 -5,-2.0 3,-1.3 1,-0.2 -4,-0.2 0.599 46.2-162.2 -79.6 -9.3 17.8 20.0 49.7 192 202 A G T > - 0 0 28 -5,-0.3 3,-2.0 1,-0.3 4,-0.4 -0.308 65.5 -14.2 63.8-147.2 17.8 23.2 51.6 193 203 A Y T >> S+ 0 0 95 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.749 127.6 76.7 -59.6 -24.1 15.0 25.7 50.8 194 204 A R H <> S+ 0 0 12 -3,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.818 81.1 69.3 -57.3 -28.6 14.4 23.5 47.7 195 205 A A H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.902 95.7 53.8 -56.2 -41.8 12.7 21.1 50.1 196 206 A R H <> S+ 0 0 139 -3,-1.2 4,-2.9 -4,-0.4 -1,-0.2 0.917 108.4 47.8 -59.3 -47.0 9.9 23.6 50.6 197 207 A Y H X S+ 0 0 97 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.852 106.8 56.3 -66.7 -35.1 9.2 24.0 46.9 198 208 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.979 113.9 39.6 -59.9 -54.4 9.1 20.2 46.3 199 209 A S H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.955 117.1 50.1 -58.9 -51.8 6.4 19.8 48.9 200 210 A A H X S+ 0 0 33 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.890 111.5 46.5 -56.1 -46.1 4.5 23.0 47.8 201 211 A S H X S+ 0 0 0 -4,-2.9 4,-2.0 33,-0.2 -1,-0.2 0.821 110.7 53.7 -69.5 -28.9 4.5 22.1 44.1 202 212 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.948 114.5 40.5 -69.2 -45.6 3.3 18.6 44.8 203 213 A R H X S+ 0 0 96 -4,-2.4 4,-3.7 2,-0.2 5,-0.4 0.926 112.8 55.4 -67.4 -43.1 0.4 19.8 46.9 204 214 A A H X>S+ 0 0 10 -4,-2.9 5,-2.3 -5,-0.2 4,-2.1 0.911 110.4 45.5 -55.7 -45.9 -0.4 22.7 44.5 205 215 A I H <5S+ 0 0 0 -4,-2.0 6,-3.2 3,-0.2 5,-0.4 0.915 120.9 37.3 -65.0 -45.9 -0.7 20.3 41.6 206 216 A L H <5S+ 0 0 55 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.842 128.5 32.0 -76.2 -34.8 -2.8 17.7 43.4 207 217 A E H <5S+ 0 0 152 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.583 134.4 15.8-102.7 -10.8 -4.9 20.1 45.4 208 218 A E T <5S+ 0 0 147 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.657 120.8 47.7-129.2 -41.1 -5.3 23.2 43.2 209 219 A Q S - 0 0 57 -5,-0.4 4,-0.5 -6,-0.3 3,-0.3 0.727 60.1 -98.0 102.4 24.0 -6.2 19.4 39.0 211 221 A G H >> S- 0 0 10 -6,-3.2 3,-1.3 -7,-0.2 4,-0.9 -0.004 73.0 -25.6 66.0-166.5 -3.6 16.7 39.6 212 222 A L H 3> S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.835 128.0 63.9 -50.7 -44.0 -1.4 14.7 37.3 213 223 A A H 3> S+ 0 0 64 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.838 98.7 57.7 -53.4 -34.6 -3.7 15.0 34.3 214 224 A W H << S+ 0 0 34 -3,-1.3 4,-0.3 -4,-0.5 -1,-0.2 0.918 110.0 41.4 -61.9 -47.0 -3.1 18.8 34.4 215 225 A L H >< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.4 -2,-0.2 0.930 116.9 48.8 -67.2 -46.3 0.7 18.5 34.0 216 226 A Q H >< S+ 0 0 90 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.849 102.4 59.0 -63.8 -40.3 0.4 15.7 31.4 217 227 A Q G >X S+ 0 0 87 -4,-2.4 3,-0.9 1,-0.3 4,-0.6 0.581 86.2 82.4 -68.8 -6.5 -2.1 17.4 29.2 218 228 A L G <4 S+ 0 0 5 -3,-1.1 3,-0.3 -4,-0.3 -1,-0.3 0.703 73.8 73.9 -70.5 -18.1 0.4 20.2 28.8 219 229 A R G <4 S+ 0 0 63 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 99.2 44.9 -61.2 -36.8 2.2 18.2 26.1 220 230 A E T <4 S+ 0 0 160 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.653 100.0 89.8 -81.3 -17.5 -0.7 19.0 23.8 221 231 A S S < S- 0 0 33 -4,-0.6 2,-0.1 -3,-0.3 -3,-0.0 -0.299 88.6 -94.7 -75.6 164.1 -0.7 22.7 24.8 222 232 A S > - 0 0 53 1,-0.1 4,-3.2 -2,-0.0 5,-0.3 -0.430 33.8-110.0 -77.5 154.8 1.4 25.3 23.0 223 233 A Y H > S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.898 119.9 53.7 -49.4 -45.3 4.8 26.3 24.4 224 234 A E H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 113.5 41.1 -57.6 -48.3 3.4 29.7 25.4 225 235 A E H > S+ 0 0 124 2,-0.2 4,-2.8 -3,-0.2 3,-0.3 0.981 115.3 50.5 -63.9 -57.0 0.6 28.1 27.4 226 236 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.3 5,-0.2 0.922 111.3 48.3 -46.7 -54.9 2.7 25.3 28.9 227 237 A H H X S+ 0 0 30 -4,-3.1 4,-1.5 -5,-0.3 -1,-0.3 0.859 112.4 48.4 -57.8 -38.7 5.3 27.8 30.1 228 238 A K H < S+ 0 0 118 -4,-1.7 4,-0.4 -3,-0.3 -1,-0.2 0.945 111.3 49.6 -67.5 -47.8 2.8 30.1 31.6 229 239 A A H >X S+ 0 0 18 -4,-2.8 3,-1.8 1,-0.2 4,-0.5 0.947 110.1 51.3 -54.5 -52.1 1.0 27.3 33.5 230 240 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.834 98.0 65.3 -56.2 -38.3 4.3 25.9 34.9 231 241 A C T 3< S+ 0 0 37 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.626 90.3 69.5 -63.6 -10.2 5.4 29.3 36.3 232 242 A I T <4 S+ 0 0 92 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.928 79.3 90.0 -71.4 -46.5 2.4 29.1 38.6 233 243 A L S X< S- 0 0 4 -3,-0.8 3,-1.7 -4,-0.5 2,-0.1 -0.138 93.1 -96.5 -52.9 142.6 3.8 26.3 40.7 234 244 A P T 3 S+ 0 0 44 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.407 109.1 17.0 -64.2 133.3 6.0 27.2 43.7 235 245 A G T 3 S+ 0 0 29 1,-0.2 2,-0.8 -2,-0.1 5,-0.1 0.356 96.6 116.4 86.7 -6.6 9.7 27.2 42.9 236 246 A V < + 0 0 8 -3,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.834 36.2 162.7-102.9 105.5 9.1 27.2 39.2 237 247 A G > - 0 0 38 -2,-0.8 4,-2.3 -3,-0.1 5,-0.2 -0.186 57.1 -71.8-100.7-163.3 10.5 30.3 37.5 238 248 A T H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.906 129.7 44.2 -60.0 -47.1 11.3 31.1 33.8 239 249 A Q H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 115.0 46.6 -65.5 -50.4 14.4 28.9 33.6 240 250 A V H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.909 113.3 51.6 -59.5 -40.1 12.9 25.9 35.4 241 251 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.871 109.9 48.2 -64.8 -39.8 9.8 26.2 33.3 242 252 A D H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.924 107.5 55.0 -67.6 -43.5 11.7 26.2 30.0 243 253 A C H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.931 112.4 45.4 -53.4 -44.9 13.8 23.2 31.1 244 254 A I H X>S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-1.2 0.908 111.7 49.5 -67.3 -44.0 10.5 21.4 31.6 245 255 A C H X5S+ 0 0 0 -4,-2.4 6,-2.3 3,-0.2 4,-0.5 0.920 118.8 40.2 -62.2 -41.4 8.9 22.6 28.3 246 256 A L H <5S+ 0 0 4 -4,-3.0 4,-0.2 4,-0.2 -2,-0.2 0.934 124.7 32.8 -73.2 -47.7 12.0 21.5 26.4 247 257 A M H <5S+ 0 0 12 -4,-2.9 -122,-2.7 -5,-0.3 -3,-0.2 0.682 134.9 16.4 -87.7 -19.2 12.9 18.3 28.0 248 258 A A H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.597 119.9 51.0-129.8 -16.3 9.5 16.9 29.0 249 259 A L S < + 0 0 10 -6,-2.3 3,-1.8 -7,-0.2 -1,-0.2 -0.740 21.4 174.6-110.1 80.1 8.5 22.1 23.2 252 262 A P T 3 S+ 0 0 25 0, 0.0 50,-1.9 0, 0.0 51,-0.8 0.607 75.5 58.2 -63.2 -13.5 11.7 22.1 21.1 253 263 A Q T 3 S+ 0 0 51 48,-0.2 2,-0.3 47,-0.2 47,-0.1 0.454 78.5 113.5 -94.3 -2.1 11.8 25.9 20.7 254 264 A A < - 0 0 0 -3,-1.8 -3,-0.0 45,-0.1 -4,-0.0 -0.566 51.8-165.4 -70.6 127.1 11.9 26.2 24.5 255 265 A V - 0 0 1 -2,-0.3 2,-0.3 50,-0.1 -12,-0.1 -0.912 11.4-145.6-123.0 106.7 15.2 27.7 25.4 256 266 A P - 0 0 4 0, 0.0 2,-0.7 0, 0.0 -17,-0.1 -0.508 13.2-156.4 -69.2 129.4 16.4 27.6 29.0 257 267 A V + 0 0 9 -2,-0.3 2,-0.2 4,-0.1 -18,-0.1 -0.904 29.1 147.9-113.0 105.2 18.5 30.8 29.8 258 268 A D > - 0 0 25 -2,-0.7 4,-1.7 -19,-0.1 5,-0.1 -0.510 65.6 -77.1-119.5-170.3 20.9 30.3 32.7 259 269 A V H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 128.6 55.2 -59.9 -39.9 24.3 31.7 33.6 260 270 A H H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.960 108.5 46.1 -57.6 -53.4 26.0 29.3 31.1 261 271 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.792 110.6 54.8 -62.1 -27.8 23.8 30.5 28.2 262 272 A W H X S+ 0 0 11 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.928 109.6 45.4 -70.2 -44.6 24.5 34.2 29.2 263 273 A H H X S+ 0 0 94 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.890 114.3 50.1 -63.6 -40.2 28.2 33.7 29.1 264 274 A I H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 5,-0.4 0.918 109.7 51.2 -63.5 -44.2 27.8 31.9 25.8 265 275 A A H X S+ 0 0 0 -4,-2.4 6,-2.3 -5,-0.2 4,-1.2 0.928 118.9 35.2 -60.4 -48.1 25.7 34.7 24.5 266 276 A Q H X S+ 0 0 79 -4,-2.4 4,-1.6 4,-0.3 -2,-0.2 0.975 123.8 41.1 -71.0 -56.2 28.2 37.5 25.4 267 277 A R H < S+ 0 0 137 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.856 128.1 29.0 -62.0 -39.4 31.4 35.6 24.8 268 278 A D H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.4 -3,-0.2 0.586 136.5 22.6-102.6 -11.3 30.4 33.9 21.6 269 279 A Y H < S- 0 0 44 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.2 0.316 90.8-127.3-133.8 4.5 27.9 36.2 20.0 270 280 A S < + 0 0 90 -4,-1.6 -4,-0.3 -6,-0.2 -3,-0.1 0.843 49.6 178.7 48.2 35.6 28.8 39.6 21.7 271 281 A W + 0 0 18 -6,-2.3 -1,-0.2 -7,-0.1 -2,-0.1 -0.384 14.6 178.2 -72.3 145.7 25.1 39.7 22.6 272 282 A H - 0 0 128 -3,-0.1 2,-0.1 -2,-0.1 8,-0.1 -0.988 37.3 -94.8-144.7 147.2 23.6 42.5 24.7 273 283 A P + 0 0 27 0, 0.0 12,-0.1 0, 0.0 13,-0.0 -0.392 37.7 178.5 -63.9 139.1 20.1 43.3 25.8 274 284 A T S S+ 0 0 116 11,-0.1 11,-0.0 -2,-0.1 14,-0.0 0.820 79.7 21.3-103.2 -68.3 18.2 45.6 23.4 275 285 A T S S+ 0 0 121 9,-0.1 10,-0.1 10,-0.1 2,-0.1 0.665 106.4 99.4 -77.3 -19.2 14.7 46.2 24.7 276 286 A S - 0 0 15 1,-0.1 9,-0.0 8,-0.1 0, 0.0 -0.347 65.2-147.2 -72.1 151.8 15.7 45.1 28.3 277 287 A Q S S+ 0 0 151 -2,-0.1 -1,-0.1 2,-0.0 5,-0.0 0.911 76.7 69.0 -82.3 -49.0 16.4 47.7 31.0 278 288 A A S S- 0 0 39 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 -0.079 70.0-143.0 -67.3 169.2 19.1 45.8 32.9 279 289 A K S S+ 0 0 86 2,-0.1 -1,-0.1 -7,-0.1 3,-0.1 0.580 83.6 31.7-107.3 -19.7 22.6 45.0 31.6 280 290 A G S S- 0 0 25 1,-0.2 5,-0.2 -8,-0.1 -2,-0.1 -0.437 112.2 -29.4-121.9-164.0 22.8 41.5 33.1 281 291 A P S S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.262 71.6 137.4 -55.6 129.9 20.4 38.6 34.0 282 292 A S > - 0 0 19 -4,-0.1 4,-3.1 -3,-0.1 5,-0.4 -0.957 68.8 -93.5-164.9 160.3 16.9 39.7 34.9 283 293 A P H > S+ 0 0 112 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.822 127.1 43.4 -54.6 -28.6 13.4 38.5 34.0 284 294 A Q H > S+ 0 0 31 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.859 116.1 44.5 -84.6 -38.3 13.3 40.9 31.1 285 295 A T H > S+ 0 0 0 -5,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 112.3 52.8 -74.0 -36.2 16.8 40.2 29.7 286 296 A N H X S+ 0 0 38 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.894 110.0 48.8 -65.1 -38.9 16.5 36.5 30.1 287 297 A K H X S+ 0 0 137 -4,-0.9 4,-1.8 -5,-0.4 -2,-0.2 0.942 112.8 47.8 -65.5 -45.0 13.3 36.6 28.1 288 298 A E H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.908 109.5 51.8 -62.6 -44.3 14.9 38.6 25.4 289 299 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.866 107.4 54.9 -61.3 -35.3 18.0 36.4 25.2 290 300 A G H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.896 108.5 46.8 -65.0 -40.2 15.6 33.4 24.8 291 301 A N H X S+ 0 0 77 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.822 108.0 58.2 -70.7 -29.5 14.0 35.1 21.9 292 302 A F H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.960 107.7 45.3 -63.6 -50.7 17.4 35.9 20.5 293 303 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.874 112.8 52.3 -62.1 -34.7 18.3 32.2 20.5 294 304 A R H X S+ 0 0 51 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.939 110.3 45.9 -66.8 -44.9 15.0 31.3 18.9 295 305 A S H < S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.1 47.8 -67.4 -27.9 15.3 33.8 16.1 296 306 A L H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 125.8 21.7 -78.4 -44.0 18.9 32.5 15.6 297 307 A W H < S- 0 0 2 -4,-2.8 3,-0.3 1,-0.2 -3,-0.2 0.717 96.4-140.2-101.1 -22.8 18.3 28.8 15.6 298 308 A G >< - 0 0 21 -4,-2.4 3,-1.9 -5,-0.4 -1,-0.2 -0.596 56.3 -15.0 102.0-164.8 14.7 28.2 14.7 299 309 A P T 3 S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.641 137.5 45.1 -52.5 -25.0 11.9 25.8 15.9 300 310 A Y T >> S+ 0 0 83 -3,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.047 70.6 127.6-113.7 31.2 14.4 23.6 17.6 301 311 A A H <> + 0 0 0 -3,-1.9 4,-3.2 1,-0.3 -48,-0.2 0.852 69.2 62.6 -54.3 -37.5 16.5 26.3 19.3 302 312 A G H 3> S+ 0 0 0 -50,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.867 104.5 46.4 -57.5 -37.2 16.1 24.5 22.6 303 313 A W H <> S+ 0 0 6 -3,-1.1 4,-1.3 -51,-0.8 -1,-0.2 0.906 110.5 51.0 -71.6 -42.6 18.0 21.5 21.1 304 314 A A H >X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-0.7 0.930 107.4 56.5 -58.6 -42.3 20.7 23.7 19.7 305 315 A Q H 3X S+ 0 0 10 -4,-3.2 4,-2.6 1,-0.3 -1,-0.2 0.874 100.9 57.2 -54.8 -41.2 20.8 25.2 23.2 306 316 A A H 3X S+ 0 0 7 -4,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.826 103.9 53.6 -61.3 -34.5 21.5 21.7 24.6 307 317 A V H X S+ 0 0 2 -4,-2.0 4,-0.7 -5,-0.2 3,-0.6 0.874 114.4 49.4 -59.7 -39.2 26.6 20.6 27.2 311 321 A A H >< S+ 0 0 15 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.853 105.3 58.4 -70.1 -32.8 29.8 21.8 25.4 312 322 A D H >< S+ 0 0 22 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.669 96.8 61.8 -72.1 -15.3 30.1 24.7 27.9 313 323 A L H << S+ 0 0 52 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.798 91.7 66.4 -77.9 -29.1 30.3 22.2 30.8 314 324 A R T << 0 0 102 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.407 360.0 360.0 -71.8 2.8 33.5 20.7 29.4 315 325 A Q < 0 0 122 -3,-0.7 -1,-0.2 -4,-0.1 -2,-0.2 0.956 360.0 360.0 -84.6 360.0 35.2 24.0 30.1