==== 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 HYDROLASE/DNA 01-FEB-05 1YQK . COMPND 2 MOLECULE: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BANERJEE,W.YANG,M.KARPLUS,G.L.VERDINE . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 66.3 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 . 27 8.7 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 . 1 0.3 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 1 1 1 2 3 0 0 0 3 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 S 0 0 117 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.4 28.8 -14.7 37.2 2 10 A E + 0 0 155 4,-0.1 2,-0.3 9,-0.0 4,-0.1 0.276 360.0 85.6 -87.1 10.6 25.0 -14.4 37.2 3 11 A F S S+ 0 0 168 2,-0.1 2,-0.1 160,-0.1 160,-0.1 -0.854 79.2 11.0-114.8 149.0 25.5 -11.9 40.1 4 12 A G S S- 0 0 13 -2,-0.3 2,-0.2 158,-0.2 158,-0.0 -0.349 106.7 -24.0 85.7-170.3 26.2 -8.2 40.0 5 13 A H S S- 0 0 23 158,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.536 71.0-123.3 -77.1 144.8 26.0 -5.8 37.1 6 14 A R - 0 0 28 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.408 18.9-159.5 -88.3 162.9 26.4 -7.4 33.7 7 15 A T > - 0 0 35 -2,-0.1 4,-1.9 1,-0.1 52,-0.0 -0.945 33.3-112.0-135.9 155.1 28.9 -6.6 30.9 8 16 A L T 4 S+ 0 0 48 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.865 119.4 44.5 -56.2 -37.0 28.8 -7.4 27.2 9 17 A A T 4 S+ 0 0 91 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.855 111.9 50.2 -76.5 -38.1 31.6 -9.9 27.7 10 18 A S T 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.867 126.0 18.6 -71.2 -43.3 30.5 -11.6 30.9 11 19 A T S >< S+ 0 0 20 -4,-1.9 3,-2.2 1,-0.1 -1,-0.2 -0.419 72.1 163.0-129.1 57.7 26.9 -12.5 30.0 12 20 A P G > + 0 0 75 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.844 69.9 61.2 -40.5 -53.7 26.8 -12.3 26.1 13 21 A A G 3 S+ 0 0 72 1,-0.3 64,-0.6 64,-0.0 -5,-0.0 0.636 97.6 60.4 -55.7 -17.2 23.6 -14.3 25.7 14 22 A L G < S+ 0 0 36 -3,-2.2 55,-0.3 62,-0.1 2,-0.3 0.261 88.1 93.2 -98.2 13.0 21.6 -11.7 27.7 15 23 A W < - 0 0 11 -3,-1.9 2,-0.3 62,-0.2 53,-0.2 -0.799 46.6-175.9-110.4 151.3 22.2 -8.7 25.4 16 24 A A E -A 67 0A 14 51,-2.0 51,-2.7 -2,-0.3 2,-0.3 -0.863 18.3-138.5-131.0 162.7 20.3 -7.2 22.5 17 25 A S E -A 66 0A 54 -2,-0.3 49,-0.2 49,-0.2 43,-0.0 -0.926 10.6-154.0-133.3 157.0 21.4 -4.4 20.3 18 26 A I E -A 65 0A 7 47,-2.1 47,-1.9 -2,-0.3 2,-0.2 -0.995 37.0-110.7-125.3 125.5 20.0 -1.3 18.6 19 27 A P E +A 64 0A 100 0, 0.0 45,-0.3 0, 0.0 44,-0.0 -0.397 61.2 138.7 -58.0 122.9 21.7 0.1 15.5 20 28 A C - 0 0 5 43,-2.7 41,-0.2 -2,-0.2 -2,-0.1 -0.584 39.7-148.5-172.5 102.6 23.4 3.3 16.6 21 29 A P >> - 0 0 49 0, 0.0 3,-2.8 0, 0.0 4,-0.8 -0.417 34.6-109.9 -72.6 151.3 26.8 4.6 15.6 22 30 A R T 34 S+ 0 0 79 40,-1.0 41,-0.1 1,-0.3 40,-0.1 0.646 116.3 71.6 -56.7 -14.3 28.6 6.8 18.2 23 31 A S T 34 S+ 0 0 49 1,-0.2 96,-1.4 95,-0.1 -1,-0.3 0.761 103.6 41.7 -73.6 -21.5 28.0 9.7 15.8 24 32 A E T <4 S+ 0 0 26 -3,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.659 129.7 11.9 -96.4 -18.8 24.4 9.5 16.8 25 33 A L < - 0 0 0 -4,-0.8 2,-0.5 -5,-0.1 -1,-0.3 -0.915 49.5-170.8-162.5 131.1 24.9 8.9 20.6 26 34 A R >> - 0 0 59 93,-2.2 3,-2.5 -2,-0.3 4,-1.8 -0.848 8.1-166.6-126.6 95.0 27.7 9.1 23.1 27 35 A L H 3> S+ 0 0 2 -2,-0.5 4,-2.1 1,-0.3 3,-0.2 0.856 89.5 55.1 -46.1 -43.7 26.6 7.6 26.4 28 36 A D H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.664 112.5 44.4 -68.4 -14.1 29.6 9.0 28.2 29 37 A L H <4 S+ 0 0 26 -3,-2.5 -1,-0.2 90,-0.2 -2,-0.2 0.703 122.9 32.6-100.2 -25.2 28.7 12.5 26.9 30 38 A V H ><>S+ 0 0 0 -4,-1.8 3,-0.7 -3,-0.2 5,-0.5 0.871 109.1 56.7-100.0 -46.3 24.9 12.3 27.6 31 39 A L T 3<5S+ 0 0 2 -4,-2.1 8,-0.4 1,-0.2 3,-0.3 0.805 118.7 29.3 -62.1 -34.1 24.3 10.2 30.7 32 40 A P T 3 5S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.406 92.2 99.5-108.6 10.1 26.4 12.1 33.2 33 41 A S T < 5S- 0 0 44 -3,-0.7 -2,-0.1 1,-0.1 4,-0.1 0.481 104.0 -93.9 -72.6 -2.7 26.1 15.6 31.6 34 42 A G T 5S+ 0 0 15 2,-0.6 3,-0.1 -3,-0.3 -1,-0.1 0.625 101.4 101.8 101.4 12.5 23.4 16.8 33.9 35 43 A Q S S-B 46 0A 25 3,-0.9 3,-2.7 -3,-0.2 -1,-0.1 -0.897 114.0 -82.1-114.8 146.9 31.7 -0.9 35.0 44 52 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.283 117.1 2.0 -54.2 127.3 33.9 1.1 32.7 45 53 A A T 3 S+ 0 0 53 1,-0.2 2,-0.5 -4,-0.1 15,-0.4 0.602 110.7 109.3 69.5 13.8 31.9 2.1 29.6 46 54 A H E < -B 43 0A 23 -3,-2.7 -3,-0.9 13,-0.1 2,-0.5 -0.969 51.8-163.3-122.7 116.5 28.8 0.4 31.1 47 55 A W E - C 0 58A 17 11,-3.1 11,-2.9 -2,-0.5 2,-0.4 -0.851 4.9-170.7-105.8 132.2 26.0 2.6 32.3 48 56 A S E +BC 40 57A 2 -8,-2.9 -8,-2.1 -2,-0.5 2,-0.3 -0.900 23.0 120.5-119.1 148.3 23.3 1.4 34.6 49 57 A G E - C 0 56A 0 7,-1.9 7,-2.8 -2,-0.4 2,-0.5 -0.981 59.4 -70.1 177.4 177.8 20.1 3.0 35.7 50 58 A V E + C 0 55A 19 -12,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.827 46.6 166.6 -96.8 125.4 16.3 2.9 35.8 51 59 A L E > S- C 0 54A 7 3,-2.7 3,-1.0 -2,-0.5 35,-0.1 -0.989 70.7 -4.5-139.3 125.6 14.5 3.4 32.5 52 60 A A T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.880 128.9 -58.0 59.0 40.9 10.8 2.6 32.0 53 61 A D T 3 S+ 0 0 102 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.693 121.3 89.7 63.9 21.6 10.5 1.3 35.6 54 62 A Q E < S-C 51 0A 49 -3,-1.0 -3,-2.7 -5,-0.0 2,-0.4 -0.963 80.0-106.6-141.3 157.9 13.2 -1.4 35.1 55 63 A V E +CD 50 70A 1 15,-1.1 15,-3.1 -2,-0.3 2,-0.3 -0.744 40.7 178.0 -90.2 132.5 17.0 -1.5 35.6 56 64 A W E -CD 49 69A 1 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.4 -0.881 23.1-150.1-128.5 162.1 19.1 -1.5 32.5 57 65 A T E -CD 48 68A 0 11,-2.2 11,-1.5 -2,-0.3 2,-0.4 -0.997 19.4-168.0-129.2 132.6 22.8 -1.5 31.6 58 66 A L E +CD 47 67A 0 -11,-2.9 -11,-3.1 -2,-0.4 2,-0.3 -0.945 13.7 162.4-124.2 146.9 23.8 0.2 28.4 59 67 A T E - D 0 66A 8 7,-1.8 7,-3.3 -2,-0.4 2,-0.3 -0.943 20.1-146.7-159.7 140.8 27.1 0.1 26.6 60 68 A Q E + D 0 65A 32 -15,-0.4 5,-0.2 -2,-0.3 2,-0.1 -0.859 18.3 167.3-120.0 153.5 28.1 0.9 23.0 61 69 A T - 0 0 54 3,-2.1 -39,-0.3 -2,-0.3 -1,-0.1 0.049 60.7 -32.7-121.8-127.1 30.5 -0.3 20.5 62 70 A E S S- 0 0 96 1,-0.1 -40,-1.0 -41,-0.1 -2,-0.0 0.999 125.0 -19.7 -64.4 -81.9 30.9 0.3 16.7 63 71 A E S S+ 0 0 68 -42,-0.2 -43,-2.7 -41,-0.1 2,-0.3 0.094 120.9 85.5-120.5 17.0 27.5 0.8 15.2 64 72 A Q E -A 19 0A 48 -45,-0.3 -3,-2.1 -47,-0.0 2,-0.6 -0.910 59.3-151.9-125.5 151.5 25.5 -0.9 18.0 65 73 A L E -AD 18 60A 0 -47,-1.9 -47,-2.1 -2,-0.3 2,-0.5 -0.989 26.6-146.5-117.0 114.7 24.1 0.2 21.3 66 74 A H E -AD 17 59A 26 -7,-3.3 -7,-1.8 -2,-0.6 2,-0.4 -0.742 17.9-173.8 -91.6 131.7 24.0 -2.8 23.6 67 75 A C E +AD 16 58A 0 -51,-2.7 -51,-2.0 -2,-0.5 2,-0.3 -0.946 12.3 177.2-126.7 145.6 21.2 -3.1 26.1 68 76 A T E - D 0 57A 0 -11,-1.5 -11,-2.2 -2,-0.4 2,-0.4 -0.989 13.4-156.4-144.3 133.7 20.4 -5.5 28.9 69 77 A V E - D 0 56A 2 -2,-0.3 2,-0.7 -55,-0.3 7,-0.3 -0.931 9.1-152.0-119.3 140.6 17.5 -5.4 31.3 70 78 A Y E D 0 55A 22 -15,-3.1 -15,-1.1 -2,-0.4 -2,-0.0 -0.889 360.0 360.0-109.2 100.6 17.1 -6.8 34.8 71 79 A R 0 0 116 -2,-0.7 -1,-0.1 -17,-0.1 -15,-0.0 0.568 360.0 360.0 -78.1 360.0 13.4 -7.4 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 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.2 12.1 -14.0 37.0 74 84 A Q - 0 0 89 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.938 360.0-119.0 73.5 93.1 14.4 -16.0 34.6 75 85 A A + 0 0 63 -5,-0.0 2,-0.2 -4,-0.0 -5,-0.1 0.192 39.5 160.4 -51.8 174.2 16.6 -13.6 32.7 76 86 A S - 0 0 53 -7,-0.3 -7,-0.3 -62,-0.2 -62,-0.1 -0.685 46.8 -76.0 166.6 141.5 16.6 -13.2 28.9 77 87 A R - 0 0 130 -64,-0.6 -62,-0.2 -2,-0.2 -9,-0.1 0.055 69.3 -73.6 -46.2 158.0 17.8 -10.5 26.4 78 88 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 -0.215 54.8-122.1 -54.8 146.4 15.7 -7.3 26.0 79 89 A T > - 0 0 48 -3,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.397 27.2 -96.8 -87.7 169.6 12.5 -7.9 24.1 80 90 A P H > S+ 0 0 109 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.882 125.1 40.1 -49.9 -46.7 11.4 -6.1 20.8 81 91 A D H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.871 111.0 55.0 -74.0 -41.7 9.3 -3.7 22.8 82 92 A E H > S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.920 109.2 49.2 -60.3 -42.2 11.6 -3.1 25.7 83 93 A L H X S+ 0 0 22 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.840 104.8 59.9 -65.9 -29.2 14.3 -2.1 23.3 84 94 A E H X S+ 0 0 42 -4,-0.9 4,-2.4 -5,-0.3 -1,-0.2 0.848 100.0 55.6 -65.0 -34.2 11.8 0.2 21.7 85 95 A A H X S+ 0 0 30 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.862 104.4 53.1 -65.3 -37.3 11.5 2.0 25.0 86 96 A V H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.884 107.9 52.3 -65.4 -37.2 15.2 2.5 25.0 87 97 A R H X>S+ 0 0 87 -4,-1.6 5,-1.6 1,-0.2 4,-0.7 0.948 109.5 46.8 -64.6 -49.1 14.8 4.1 21.5 88 98 A K H ><5S+ 0 0 140 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.863 108.9 57.4 -61.3 -33.4 12.1 6.5 22.6 89 99 A Y H 3<5S+ 0 0 26 -4,-2.0 35,-2.4 1,-0.2 -1,-0.2 0.854 113.8 36.9 -66.6 -34.2 14.2 7.4 25.7 90 100 A F H 3<5S- 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.420 103.5-133.5 -97.1 2.3 17.2 8.5 23.5 91 101 A Q T X<5 + 0 0 32 -4,-0.7 3,-2.1 -3,-0.5 -3,-0.2 0.891 38.7 171.5 45.6 48.7 14.8 9.9 20.9 92 102 A L T 3 < + 0 0 18 -5,-1.6 4,-0.1 1,-0.3 -1,-0.1 0.751 64.9 74.7 -59.0 -27.5 16.9 8.2 18.2 93 103 A D T 3 S+ 0 0 134 -6,-0.2 2,-0.9 1,-0.1 -1,-0.3 0.685 81.0 83.0 -60.3 -15.9 14.3 9.0 15.5 94 104 A V S < S- 0 0 27 -3,-2.1 2,-0.5 -4,-0.1 -1,-0.1 -0.822 83.1-143.8 -92.4 105.1 15.8 12.5 15.8 95 105 A T > - 0 0 62 -2,-0.9 4,-1.5 1,-0.2 3,-0.2 -0.575 14.5-166.3 -74.9 115.5 19.0 12.4 13.6 96 106 A L H > S+ 0 0 1 -2,-0.5 4,-3.3 1,-0.2 5,-0.4 0.851 86.2 66.4 -69.1 -34.7 21.9 14.4 14.9 97 107 A A H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 105.9 44.5 -51.2 -46.2 23.8 14.2 11.7 98 108 A Q H > S+ 0 0 128 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.4 47.6 -65.3 -45.2 21.0 16.3 10.2 99 109 A L H X S+ 0 0 26 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.911 110.0 50.8 -64.8 -43.7 20.9 18.8 13.1 100 110 A Y H X S+ 0 0 25 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.847 109.7 53.6 -62.6 -32.6 24.6 19.3 13.3 101 111 A H H X S+ 0 0 133 -4,-1.3 4,-2.3 -5,-0.4 -2,-0.2 0.959 111.8 43.2 -66.6 -49.2 24.5 20.0 9.6 102 112 A H H X S+ 0 0 84 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.953 117.5 43.5 -62.3 -52.8 21.8 22.7 10.0 103 113 A W H >X S+ 0 0 3 -4,-2.9 4,-1.1 1,-0.2 3,-0.8 0.898 115.0 51.1 -60.2 -40.2 23.3 24.4 13.1 104 114 A G H 3< S+ 0 0 3 -4,-2.1 7,-0.4 -5,-0.3 3,-0.3 0.884 106.8 53.5 -64.8 -38.2 26.8 24.2 11.5 105 115 A S H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.597 117.7 36.7 -73.2 -11.6 25.6 25.8 8.3 106 116 A V H << S+ 0 0 60 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.443 120.9 44.4-117.5 -4.4 24.1 28.8 10.1 107 117 A D >X - 0 0 11 -4,-1.1 4,-2.1 -3,-0.3 3,-0.9 -0.810 59.6-167.0-145.1 99.2 26.7 29.2 12.9 108 118 A S H 3> S+ 0 0 104 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.867 90.2 57.3 -52.0 -44.5 30.4 29.0 12.0 109 119 A H H 3> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.833 107.4 48.6 -57.4 -36.1 31.5 28.7 15.6 110 120 A F H <> S+ 0 0 2 -3,-0.9 4,-3.0 -7,-0.2 5,-0.4 0.979 102.9 62.6 -66.9 -54.3 29.4 25.6 16.0 111 121 A Q H < S+ 0 0 118 -4,-2.1 4,-0.5 -7,-0.4 -2,-0.2 0.859 114.6 32.4 -33.3 -60.0 30.8 24.2 12.9 112 122 A E H >< S+ 0 0 76 -4,-1.8 3,-2.7 1,-0.2 4,-0.5 0.997 119.3 49.0 -64.4 -73.9 34.3 24.1 14.4 113 123 A V H 3< S+ 0 0 43 -4,-1.6 3,-0.5 1,-0.3 -2,-0.2 0.716 110.0 50.7 -35.0 -44.0 33.4 23.5 18.1 114 124 A A T >< S+ 0 0 3 -4,-3.0 3,-1.8 1,-0.2 -1,-0.3 0.578 85.5 86.4 -79.7 -10.0 31.1 20.5 17.5 115 125 A Q T < S+ 0 0 72 -3,-2.7 3,-0.4 -4,-0.5 -1,-0.2 0.935 94.6 42.7 -54.7 -46.6 33.4 18.6 15.3 116 126 A K T 3 S+ 0 0 70 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.233 114.7 53.0 -86.2 15.2 35.1 17.0 18.4 117 127 A F < + 0 0 51 -3,-1.8 3,-0.4 3,-0.0 -1,-0.2 -0.243 65.3 152.4-146.8 56.0 31.8 16.3 20.2 118 128 A Q + 0 0 96 -3,-0.4 -94,-0.2 1,-0.2 3,-0.1 -0.117 54.3 51.2 -74.5-178.8 29.2 14.4 18.1 119 129 A G + 0 0 0 -96,-1.4 -93,-2.2 1,-0.2 2,-0.5 0.641 69.3 138.5 66.0 17.1 26.6 12.2 19.7 120 130 A V + 0 0 4 -3,-0.4 2,-0.3 -95,-0.2 -1,-0.2 -0.840 24.7 148.0 -95.0 127.6 25.3 14.8 22.1 121 131 A R - 0 0 0 -2,-0.5 2,-0.3 -95,-0.1 -30,-0.1 -0.944 45.3 -92.8-151.0 171.3 21.5 14.7 22.4 122 132 A L - 0 0 3 -2,-0.3 2,-0.3 -31,-0.1 181,-0.0 -0.686 32.2-132.5 -93.1 143.0 18.5 15.2 24.7 123 133 A L - 0 0 0 -2,-0.3 2,-1.1 -93,-0.1 -33,-0.2 -0.673 15.3-127.6 -89.9 147.6 16.9 12.5 26.7 124 134 A R - 0 0 79 -35,-2.4 124,-0.2 -2,-0.3 -33,-0.1 -0.774 43.9-177.6 -94.8 88.4 13.1 12.1 26.7 125 135 A Q - 0 0 4 122,-2.2 -89,-0.0 -2,-1.1 -3,-0.0 -0.331 32.0 -92.9 -86.2 168.1 12.6 12.0 30.6 126 136 A D > - 0 0 92 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.641 32.0-128.7 -79.4 136.0 9.5 11.6 32.8 127 137 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 104.9 49.3 -53.6 -39.0 7.9 14.9 33.7 128 138 A I H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.988 112.4 43.6 -68.4 -57.5 7.8 14.0 37.4 129 139 A E H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 118.7 47.2 -52.9 -42.5 11.4 12.9 37.8 130 140 A C H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.891 110.1 51.8 -67.9 -39.2 12.5 15.9 35.8 131 141 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.3 -2,-0.2 0.958 117.6 36.7 -62.7 -51.9 10.3 18.4 37.7 132 142 A F H X S+ 0 0 2 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.799 113.2 56.6 -74.8 -28.4 11.6 17.4 41.1 133 143 A S H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.4 4,-0.3 0.967 111.6 43.7 -66.9 -47.7 15.2 16.7 40.0 134 144 A F H 3< S+ 0 0 12 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.656 101.6 65.2 -74.5 -12.1 15.5 20.2 38.7 135 145 A I H >< S+ 0 0 3 -4,-0.8 3,-0.6 1,-0.2 -1,-0.3 0.818 104.1 51.2 -72.9 -25.9 13.8 21.8 41.7 136 146 A C T << S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.545 87.5 81.5 -84.9 -8.9 16.9 20.5 43.5 137 147 A S T > + 0 0 28 -3,-0.4 3,-1.5 -4,-0.3 -1,-0.2 0.432 62.4 123.5 -77.7 1.5 19.4 22.0 41.1 138 148 A S T < S- 0 0 44 -3,-0.6 3,-0.1 1,-0.3 56,-0.1 -0.466 90.0 -8.5 -66.3 129.4 19.1 25.4 42.9 139 149 A C T 3 S+ 0 0 115 -2,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.830 120.4 112.3 51.0 34.5 22.4 26.7 44.1 140 150 A N < - 0 0 52 -3,-1.5 2,-0.3 4,-0.0 -1,-0.2 -0.847 58.6-138.8-135.9 171.4 23.9 23.3 43.2 141 151 A N > - 0 0 96 -2,-0.3 4,-2.7 -3,-0.1 3,-0.4 -0.818 43.2 -93.6-122.9 163.4 26.2 21.4 40.8 142 152 A I H > S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.809 123.7 51.2 -47.1 -39.8 25.8 18.0 39.2 143 153 A A H > S+ 0 0 77 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.935 113.6 42.9 -66.8 -46.8 27.5 16.2 42.0 144 154 A R H >> S+ 0 0 31 -3,-0.4 4,-2.3 2,-0.2 3,-0.5 0.979 115.8 48.6 -62.8 -54.9 25.4 17.7 44.7 145 155 A I H 3X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.899 108.5 54.7 -50.9 -47.1 22.1 17.3 42.8 146 156 A T H 3X S+ 0 0 24 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.880 109.1 48.1 -58.3 -38.3 23.0 13.7 42.0 147 157 A G H -E 166 0B 15 3,-2.6 3,-2.2 -2,-0.4 2,-0.1 -0.988 66.8 -40.0-126.9 120.5 22.8 -5.6 41.9 164 174 A D T 3 S- 0 0 92 -2,-0.4 -160,-0.1 1,-0.3 -2,-0.0 -0.446 125.0 -27.8 59.9-131.5 26.0 -6.0 43.9 165 175 A D T 3 S+ 0 0 146 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.077 119.3 101.8-101.6 26.1 25.6 -3.6 46.9 166 176 A V E < -E 163 0B 34 -3,-2.2 -3,-2.6 2,-0.0 2,-0.6 -0.926 53.4-163.6-113.2 119.2 23.4 -1.3 44.9 167 177 A T E -E 162 0B 59 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.880 16.1-143.0-102.1 125.4 19.6 -1.3 45.4 168 178 A Y E - 0 0 17 -7,-2.8 -8,-3.6 -2,-0.6 2,-0.4 -0.662 16.3-170.9 -90.7 143.0 17.7 0.4 42.6 169 179 A H E -E 159 0B 33 -2,-0.3 -10,-0.2 -10,-0.3 -119,-0.1 -0.970 21.3-124.9-129.9 145.3 14.5 2.5 43.2 170 180 A G - 0 0 10 -12,-2.2 3,-0.1 -2,-0.4 -14,-0.1 -0.442 49.7 -82.1 -80.2 162.2 12.0 4.0 40.8 171 181 A F - 0 0 31 -14,-0.1 -1,-0.1 -2,-0.1 -42,-0.1 -0.385 58.1 -95.1 -65.7 142.5 11.4 7.7 41.1 172 182 A P - 0 0 3 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.186 39.8-122.5 -55.7 150.3 9.0 8.6 43.9 173 183 A S > - 0 0 59 -17,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.395 24.4-105.6 -87.4 171.3 5.3 9.1 42.9 174 184 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 120.5 55.8 -62.5 -45.3 3.3 12.3 43.5 175 185 A Q H 4 S+ 0 0 124 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.919 108.9 48.4 -52.5 -47.3 1.4 10.6 46.4 176 186 A A H >4 S+ 0 0 30 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.939 112.7 44.7 -61.4 -51.0 4.7 9.8 48.1 177 187 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 25,-0.2 0.769 113.5 52.8 -66.1 -24.7 6.3 13.3 47.8 178 188 A A T 3< S+ 0 0 14 -4,-2.2 -1,-0.3 24,-0.2 -2,-0.2 0.471 89.4 115.0 -89.5 -1.0 3.0 14.9 48.9 179 189 A G S X S- 0 0 16 -3,-1.3 3,-1.2 -4,-0.4 4,-0.3 -0.007 76.8 -71.7 -67.0 170.9 2.7 12.8 52.0 180 190 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.357 111.2 0.7 -66.2 139.9 2.8 13.9 55.7 181 191 A E T 3> S+ 0 0 163 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 0.567 85.9 131.5 60.3 12.8 6.2 15.0 57.2 182 192 A V H <> + 0 0 6 -3,-1.2 4,-3.3 1,-0.2 5,-0.2 0.922 68.3 55.7 -60.7 -42.8 8.0 14.5 53.9 183 193 A E H > S+ 0 0 63 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.910 108.3 48.8 -55.7 -42.4 9.6 17.9 54.0 184 194 A A H > S+ 0 0 53 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.924 111.6 49.5 -63.5 -42.6 11.1 17.1 57.4 185 195 A H H >X S+ 0 0 82 -4,-2.1 4,-1.0 1,-0.2 3,-0.9 0.960 109.8 51.1 -60.8 -49.8 12.3 13.8 56.0 186 196 A L H 3<>S+ 0 0 0 -4,-3.3 5,-2.0 1,-0.3 3,-0.3 0.819 103.4 58.5 -58.1 -33.9 13.9 15.5 53.1 187 197 A R H ><5S+ 0 0 118 -4,-1.9 3,-1.5 -5,-0.2 5,-0.3 0.861 101.7 54.7 -66.0 -32.0 15.8 18.0 55.3 188 198 A K H <<5S+ 0 0 183 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.769 103.7 57.1 -70.3 -24.3 17.5 15.0 57.1 189 199 A L T 3<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.228 122.8-109.8 -88.7 12.6 18.6 14.0 53.7 190 200 A G T < 5S+ 0 0 44 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.618 76.6 133.9 72.9 15.2 20.3 17.4 53.2 191 201 A L > < - 0 0 0 -5,-2.0 3,-1.5 1,-0.2 -4,-0.2 0.702 44.6-167.0 -69.7 -14.7 18.0 18.9 50.6 192 202 A G T > - 0 0 29 -5,-0.3 3,-1.7 -6,-0.3 4,-0.3 -0.394 63.6 -9.8 66.5-140.5 17.9 22.1 52.6 193 203 A Y T >> S+ 0 0 95 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.617 125.8 75.2 -66.3 -14.8 15.3 24.7 51.6 194 204 A R H <> S+ 0 0 21 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.740 79.7 74.4 -69.9 -21.9 14.6 22.6 48.5 195 205 A A H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.905 93.2 52.1 -55.5 -44.4 12.8 20.2 50.8 196 206 A R H <> S+ 0 0 80 -3,-0.6 4,-3.5 -4,-0.3 5,-0.3 0.917 109.1 48.9 -59.4 -47.2 9.9 22.7 51.1 197 207 A Y H X S+ 0 0 80 -4,-0.9 4,-3.2 2,-0.2 5,-0.3 0.898 107.8 53.2 -62.5 -44.5 9.5 23.0 47.3 198 208 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.977 117.8 38.1 -53.9 -55.1 9.5 19.3 46.7 199 209 A S H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 118.2 47.5 -61.6 -50.8 6.7 18.9 49.2 200 210 A A H X S+ 0 0 35 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.897 115.3 47.3 -60.3 -38.7 4.8 22.1 48.3 201 211 A S H X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.851 108.0 53.5 -72.3 -36.1 5.0 21.2 44.6 202 212 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -24,-0.2 0.893 113.1 45.5 -66.2 -37.3 3.9 17.6 45.0 203 213 A R H X S+ 0 0 91 -4,-2.1 4,-3.2 -26,-0.2 -2,-0.2 0.901 108.8 55.1 -72.3 -40.1 0.8 18.8 46.8 204 214 A A H X>S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 5,-1.0 0.904 108.2 47.4 -61.0 -45.1 0.0 21.6 44.4 205 215 A I H X>S+ 0 0 0 -4,-1.9 6,-3.3 3,-0.2 5,-0.9 0.937 120.7 38.7 -61.6 -45.1 -0.1 19.3 41.4 206 216 A L H <5S+ 0 0 55 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.780 127.5 31.5 -76.5 -31.7 -2.3 16.8 43.2 207 217 A E H <5S+ 0 0 145 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.287 132.5 21.4-114.3 10.1 -4.5 19.3 45.1 208 218 A E H <5S+ 0 0 138 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.495 122.9 38.9-148.4 -16.6 -4.8 22.3 42.8 209 219 A Q T << - 0 0 59 -5,-0.9 4,-0.5 -6,-0.2 3,-0.3 0.588 59.2-108.4 115.3 12.2 -5.4 17.9 38.4 211 221 A G H >> S- 0 0 8 -6,-3.3 4,-1.2 1,-0.2 3,-1.0 -0.111 74.7 -16.0 68.5-160.5 -2.6 15.6 39.2 212 222 A L H >> S+ 0 0 81 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.902 130.2 61.2 -45.0 -54.3 -0.3 13.6 37.0 213 223 A A H 3> S+ 0 0 69 -3,-0.3 4,-3.4 1,-0.3 -1,-0.3 0.851 100.1 56.5 -42.8 -45.6 -2.6 14.1 33.9 214 224 A W H << S+ 0 0 43 -3,-1.0 4,-0.5 -4,-0.5 -1,-0.3 0.941 111.1 42.2 -52.1 -54.6 -2.1 17.9 34.2 215 225 A L H X< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.6 -2,-0.2 0.966 117.2 46.1 -56.2 -60.6 1.7 17.5 34.0 216 226 A Q H >< S+ 0 0 69 -4,-2.3 3,-3.0 1,-0.3 4,-0.3 0.917 102.6 63.8 -49.8 -53.2 1.6 14.9 31.2 217 227 A Q G >X S+ 0 0 56 -4,-3.4 3,-1.1 1,-0.3 4,-0.7 0.675 86.8 76.5 -48.3 -19.0 -1.0 16.8 29.2 218 228 A L G <4 S+ 0 0 10 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.610 77.9 70.9 -71.9 -11.1 1.7 19.5 28.9 219 229 A R G <4 S+ 0 0 64 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.769 103.2 43.1 -73.4 -25.9 3.5 17.5 26.2 220 230 A E T <4 S+ 0 0 149 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.649 101.8 86.5 -91.9 -18.1 0.6 18.3 23.9 221 231 A S S < S- 0 0 43 -4,-0.7 2,-0.2 1,-0.1 -3,-0.0 -0.231 90.0 -92.5 -75.1 171.9 0.4 21.9 24.9 222 232 A S > - 0 0 55 1,-0.1 4,-3.5 29,-0.0 3,-0.4 -0.541 34.1-108.3 -85.6 153.1 2.6 24.6 23.3 223 233 A Y H > S+ 0 0 22 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.846 120.5 48.9 -46.4 -43.1 6.0 25.6 24.7 224 234 A E H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.891 115.2 42.9 -69.1 -38.8 4.6 29.0 25.8 225 235 A E H > S+ 0 0 75 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.967 115.9 49.1 -69.2 -51.9 1.6 27.4 27.5 226 236 A A H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 5,-0.2 0.927 111.4 49.4 -51.1 -51.2 3.7 24.6 29.0 227 237 A H H X S+ 0 0 34 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.899 111.7 48.8 -57.4 -44.0 6.2 27.1 30.3 228 238 A K H < S+ 0 0 142 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.909 109.1 53.2 -62.8 -44.4 3.5 29.2 31.9 229 239 A A H >< S+ 0 0 14 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.943 108.1 48.2 -56.4 -55.6 1.9 26.2 33.6 230 240 A L H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.875 99.6 66.2 -55.1 -44.4 5.0 24.9 35.3 231 241 A C T 3< S+ 0 0 50 -4,-1.7 -1,-0.3 1,-0.3 5,-0.2 0.662 87.0 73.6 -54.4 -16.0 5.9 28.3 36.7 232 242 A I T < S+ 0 0 99 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.855 80.4 90.6 -64.6 -37.0 2.7 28.0 38.8 233 243 A L S X S- 0 0 4 -3,-2.2 3,-1.8 -4,-0.4 2,-0.4 -0.298 90.2-105.7 -66.0 142.4 4.5 25.5 41.0 234 244 A P T 3 S+ 0 0 47 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.550 109.0 20.0 -70.8 121.1 6.4 26.6 44.1 235 245 A G T 3 S+ 0 0 26 -2,-0.4 2,-0.6 -4,-0.1 5,-0.1 0.422 99.6 111.7 98.2 0.8 10.1 26.3 43.4 236 246 A V < + 0 0 7 -3,-1.8 -1,-0.1 -5,-0.2 2,-0.1 -0.876 38.6 159.4-113.7 101.9 9.6 26.4 39.6 237 247 A G > - 0 0 38 -2,-0.6 4,-2.9 -3,-0.1 5,-0.2 -0.247 58.4 -71.4-103.5-165.6 10.9 29.5 37.9 238 248 A T H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 129.3 47.6 -52.8 -53.3 11.8 30.4 34.3 239 249 A K H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 116.2 40.8 -55.5 -59.0 15.0 28.3 34.4 240 250 A V H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 114.8 54.1 -60.5 -39.2 13.6 25.1 35.9 241 251 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.913 108.1 49.4 -62.7 -41.1 10.5 25.5 33.7 242 252 A D H X S+ 0 0 13 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.902 111.2 49.7 -64.6 -39.8 12.7 25.7 30.6 243 253 A C H X S+ 0 0 8 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.949 112.3 46.4 -63.6 -49.8 14.6 22.6 31.7 244 254 A I H X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-1.5 0.946 115.2 47.6 -58.1 -47.1 11.4 20.6 32.3 245 255 A C H <5S+ 0 0 0 -4,-2.7 6,-2.1 -5,-0.2 4,-0.4 0.939 117.5 41.8 -57.2 -50.0 10.1 21.9 28.9 246 256 A L H <5S+ 0 0 12 -4,-3.1 -2,-0.2 4,-0.2 -1,-0.2 0.893 125.0 34.1 -65.7 -41.2 13.3 21.0 27.1 247 257 A M H <5S+ 0 0 16 -4,-3.5 -122,-2.2 -5,-0.2 -2,-0.2 0.676 133.0 12.7 -95.2 -18.9 13.9 17.7 28.8 248 258 A A T <5S+ 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.633 118.3 54.9-129.9 -25.0 10.5 16.1 29.5 249 259 A L S + 0 0 10 -6,-2.1 3,-1.8 -7,-0.2 -1,-0.2 -0.709 20.5 173.8-111.4 79.3 9.9 21.4 23.6 252 262 A P T 3 S+ 0 0 25 0, 0.0 50,-2.3 0, 0.0 51,-0.7 0.595 73.5 64.0 -59.9 -13.9 13.3 21.4 21.7 253 263 A Q T 3 S+ 0 0 47 48,-0.2 47,-0.1 47,-0.2 2,-0.1 0.614 74.6 111.0 -87.4 -13.2 13.3 25.1 21.3 254 264 A A < - 0 0 0 -3,-1.8 -12,-0.0 -12,-0.1 -3,-0.0 -0.398 49.7-167.4 -62.9 136.6 13.5 25.8 25.0 255 265 A V - 0 0 1 -2,-0.1 -12,-0.1 46,-0.1 38,-0.1 -0.765 11.6-146.3-131.9 88.5 16.8 27.3 25.9 256 266 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.287 16.8-152.7 -55.0 124.4 17.5 27.4 29.7 257 267 A V + 0 0 12 3,-0.1 2,-0.2 4,-0.1 -18,-0.1 -0.893 27.7 150.0-111.3 115.7 19.6 30.5 30.5 258 268 A D >> - 0 0 45 -2,-0.6 4,-1.5 -19,-0.1 3,-0.7 -0.755 66.3 -83.5-128.0 174.5 22.0 30.7 33.5 259 269 A V H 3> S+ 0 0 112 1,-0.2 4,-1.3 -2,-0.2 -2,-0.0 0.683 127.6 63.1 -55.4 -15.7 25.2 32.5 34.1 260 270 A H H 3> S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.953 99.4 48.8 -73.9 -50.3 26.8 29.7 32.2 261 271 A M H <> S+ 0 0 0 -3,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.803 107.4 59.2 -58.5 -30.4 25.0 30.4 28.9 262 272 A W H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.931 102.9 50.7 -65.6 -43.2 26.1 34.0 29.3 263 273 A H H X S+ 0 0 95 -4,-1.3 4,-1.8 -3,-0.4 5,-0.3 0.908 110.2 48.5 -61.7 -42.9 29.7 33.0 29.4 264 274 A I H X S+ 0 0 2 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.792 114.1 50.1 -66.7 -24.7 29.4 31.0 26.2 265 275 A A H X S+ 0 0 0 -4,-1.3 6,-2.2 -5,-0.2 4,-0.8 0.857 112.9 41.3 -82.8 -38.8 27.6 34.0 24.7 266 276 A Q H < S+ 0 0 98 -4,-2.6 4,-0.2 4,-0.2 -2,-0.2 0.787 121.3 42.8 -79.9 -26.5 30.0 36.8 25.6 267 277 A R H < S+ 0 0 119 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.829 124.5 29.3 -89.2 -35.9 33.1 34.7 24.7 268 278 A D H < S+ 0 0 36 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.454 136.2 20.5-106.9 0.1 32.0 33.0 21.5 269 279 A Y S < S- 0 0 47 -4,-0.8 -3,-0.2 2,-0.1 -2,-0.1 0.446 88.6-124.2-141.4 -9.9 29.6 35.5 20.0 270 280 A S - 0 0 96 -5,-0.4 -4,-0.2 -4,-0.2 -3,-0.1 0.845 47.8-175.6 63.7 31.3 30.3 38.9 21.6 271 281 A W + 0 0 22 -6,-2.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.213 10.6 179.2 -62.5 149.8 26.7 38.9 22.6 272 282 A H - 0 0 142 -3,-0.1 2,-0.2 17,-0.0 7,-0.1 -0.988 32.4-104.4-150.8 146.7 25.2 42.0 24.3 273 283 A P + 0 0 29 0, 0.0 12,-0.1 0, 0.0 13,-0.0 -0.553 33.4 175.1 -76.3 140.2 21.7 42.9 25.6 274 284 A T S S+ 0 0 122 -2,-0.2 11,-0.1 11,-0.1 14,-0.0 0.795 72.6 34.4-103.0 -72.1 19.8 45.4 23.5 275 285 A T S S+ 0 0 126 9,-0.1 10,-0.1 10,-0.1 9,-0.0 0.962 109.9 56.8 -47.6 -83.3 16.3 45.7 25.0 276 286 A S S S- 0 0 29 8,-0.1 6,-0.0 1,-0.1 0, 0.0 -0.228 74.9-142.7 -57.0 143.1 16.8 45.4 28.7 277 287 A Q S S+ 0 0 104 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.920 70.3 98.7 -75.7 -47.6 19.2 47.9 30.2 278 288 A A - 0 0 47 1,-0.2 4,-0.1 3,-0.0 -2,-0.0 -0.132 57.5-159.5 -45.0 129.7 20.9 45.6 32.8 279 289 A K S S+ 0 0 78 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.763 73.5 64.7 -85.5 -28.7 24.2 44.4 31.4 280 290 A G S S- 0 0 38 1,-0.2 5,-0.1 -7,-0.0 2,-0.0 -0.224 109.8 -64.6 -83.9 179.6 24.4 41.4 33.8 281 291 A P + 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.362 67.1 151.8 -66.4 150.5 21.9 38.6 33.8 282 292 A S > - 0 0 25 1,-0.1 4,-3.5 -3,-0.1 5,-0.4 -0.958 59.8 -88.1-168.7 159.9 18.3 39.5 34.7 283 293 A P H > S+ 0 0 117 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.898 127.7 36.9 -43.5 -51.0 14.8 38.2 34.0 284 294 A Q H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -8,-0.1 0.930 117.8 48.7 -71.8 -45.2 14.5 40.4 30.9 285 295 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.883 111.6 51.4 -63.2 -35.7 18.1 40.1 29.7 286 296 A N H X S+ 0 0 38 -4,-3.5 4,-2.9 2,-0.2 5,-0.2 0.943 108.8 49.6 -66.1 -46.3 18.0 36.3 30.1 287 297 A K H X S+ 0 0 148 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.2 0.922 112.3 50.0 -57.4 -42.1 14.7 36.1 28.0 288 298 A E H X S+ 0 0 29 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.949 109.6 49.3 -61.5 -49.5 16.5 38.2 25.4 289 299 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.909 109.3 53.4 -56.5 -43.0 19.6 35.9 25.4 290 300 A G H X S+ 0 0 2 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.860 108.0 50.2 -61.9 -35.0 17.3 32.9 25.1 291 301 A N H X S+ 0 0 80 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.830 102.6 61.6 -73.4 -30.4 15.6 34.4 22.0 292 302 A F H X S+ 0 0 63 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.960 108.5 41.6 -59.0 -50.8 19.0 35.1 20.4 293 303 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.4 0.815 111.7 53.9 -69.1 -30.2 19.9 31.5 20.3 294 304 A R H X S+ 0 0 57 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.876 112.6 45.4 -71.4 -34.3 16.4 30.3 19.2 295 305 A S H < S+ 0 0 87 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 117.5 45.9 -72.3 -39.6 16.7 32.8 16.3 296 306 A L H < S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.913 126.4 24.0 -70.2 -46.4 20.2 31.6 15.6 297 307 A W H < S- 0 0 1 -4,-3.2 3,-0.4 1,-0.3 -3,-0.2 0.685 99.0-137.2 -97.1 -19.7 19.8 27.8 15.8 298 308 A G >< - 0 0 18 -4,-1.6 3,-1.3 -5,-0.4 -1,-0.3 -0.607 58.0 -17.6 99.4-163.3 16.1 27.4 15.0 299 309 A P T 3 S+ 0 0 90 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.720 134.4 51.7 -52.4 -33.4 13.5 25.1 16.6 300 310 A Y T >> + 0 0 79 -3,-0.4 4,-1.7 1,-0.2 3,-0.9 -0.125 66.3 131.9 -99.9 37.1 16.1 22.8 18.3 301 311 A A H <> S+ 0 0 0 -3,-1.3 4,-1.8 1,-0.3 -48,-0.2 0.847 70.4 58.5 -55.5 -35.0 18.0 25.6 19.9 302 312 A G H 3> S+ 0 0 1 -50,-2.3 4,-1.3 -3,-0.4 -1,-0.3 0.839 103.8 49.9 -65.2 -34.5 17.9 23.6 23.1 303 313 A W H <> S+ 0 0 6 -3,-0.9 4,-1.6 -51,-0.7 -1,-0.2 0.877 108.5 52.5 -72.3 -35.9 19.7 20.7 21.5 304 314 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.879 104.3 57.6 -65.6 -37.2 22.4 22.9 20.1 305 315 A Q H X S+ 0 0 6 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.916 102.7 53.4 -60.2 -42.2 23.0 24.3 23.6 306 316 A A H X S+ 0 0 19 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.932 106.1 54.1 -58.1 -46.3 23.7 20.9 25.0 307 317 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 3,-0.3 0.939 111.4 43.9 -53.4 -51.4 26.3 20.4 22.3 308 318 A L H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.907 109.2 55.7 -63.2 -44.2 28.1 23.6 23.2 309 319 A F H < S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.3 49.8 -55.2 -35.5 27.9 23.0 27.0 310 320 A S H >< S+ 0 0 12 -4,-1.8 3,-1.9 -3,-0.3 -1,-0.2 0.951 110.6 46.0 -68.7 -52.6 29.6 19.7 26.4 311 321 A A H 3< S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.701 106.3 62.4 -63.9 -20.3 32.5 21.0 24.3 312 322 A D T 3< 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.505 360.0 360.0 -83.6 -5.1 32.9 23.8 26.9 313 323 A L < 0 0 171 -3,-1.9 -3,-0.0 -5,-0.2 -4,-0.0 -0.711 360.0 360.0 -81.2 360.0 33.7 21.1 29.4