==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-11 3ZWA . COMPND 2 MOLECULE: PEROXISOMAL BIFUNCTIONAL ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR P.KASARAGOD,W.SCHMITZ,J.K.HILTUNEN,R.K.WIERENGA . 1448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1057 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 78 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 183 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 547 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.3 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 0 2 4 2 8 5 3 4 4 2 8 6 2 0 2 1 0 2 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 11 3 2 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 . 6 4 2 1 2 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 . 2 0 4 0 2 0 2 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 -5 A V 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.7 -53.0 7.3 -132.7 2 -4 A P - 0 0 104 0, 0.0 2,-1.5 0, 0.0 4,-0.1 -0.054 360.0-152.4 -60.6 119.5 -55.8 8.1 -135.4 3 -3 A R + 0 0 198 3,-0.1 2,-0.2 2,-0.1 21,-0.0 -0.489 61.6 48.4 -89.5 67.9 -58.3 10.8 -134.2 4 -2 A G S S+ 0 0 27 -2,-1.5 2,-2.5 32,-0.0 30,-0.1 -0.823 96.1 9.5 162.8 158.1 -61.5 9.9 -136.1 5 -1 A S S > S+ 0 0 72 -2,-0.2 3,-0.8 1,-0.2 5,-0.2 -0.439 121.9 48.9 54.1 -63.7 -64.1 7.3 -137.2 6 0 A H T > S+ 0 0 115 -2,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.532 83.9 83.6 -85.2 -11.6 -62.7 4.5 -134.9 7 1 A M T 3 S+ 0 0 13 1,-0.3 16,-2.8 15,-0.1 -1,-0.2 0.819 114.8 19.1 -62.3 -27.7 -62.5 6.4 -131.6 8 2 A A E < S-A 22 0A 3 -3,-0.8 -1,-0.3 14,-0.2 14,-0.3 -0.613 93.9-149.8-137.1 80.7 -66.1 5.5 -131.2 9 3 A E E < -A 21 0A 44 12,-1.9 12,-2.1 -3,-0.8 2,-0.6 -0.227 2.8-147.0 -55.5 123.0 -66.8 2.7 -133.6 10 4 A Y E +A 20 0A 54 -5,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.873 27.7 176.4 -95.7 121.7 -70.4 2.7 -134.9 11 5 A L E -A 19 0A 56 8,-2.4 8,-3.3 -2,-0.6 2,-0.2 -0.940 27.1-134.1-135.0 139.4 -71.4 -0.9 -135.4 12 6 A R E -A 18 0A 108 -2,-0.3 6,-0.2 6,-0.2 39,-0.0 -0.637 29.2-166.9 -94.0 148.3 -74.6 -2.7 -136.5 13 7 A L E > -A 17 0A 20 4,-2.4 4,-0.5 -2,-0.2 3,-0.5 -0.905 25.5 -86.5-134.2 164.2 -75.8 -5.7 -134.5 14 8 A P T >4 S+ 0 0 82 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.091 105.8 35.4 -53.9 164.0 -78.2 -8.6 -134.6 15 9 A H T 34 S- 0 0 117 1,-0.3 37,-0.1 36,-0.0 36,-0.0 0.761 132.6 -66.7 61.3 31.4 -81.8 -8.1 -133.4 16 10 A S T 34 S+ 0 0 45 -3,-0.5 36,-3.5 1,-0.2 37,-0.7 0.769 98.9 135.5 58.3 32.0 -82.0 -4.5 -134.6 17 11 A L E << -Ab 13 53A 0 -3,-1.4 -4,-2.4 -4,-0.5 2,-0.3 -0.706 39.4-156.1-102.7 155.9 -79.3 -3.2 -132.2 18 12 A A E -Ab 12 54A 0 35,-2.2 37,-2.6 -2,-0.3 2,-0.4 -0.937 8.5-146.5-124.4 157.3 -76.4 -0.8 -132.8 19 13 A M E -Ab 11 55A 10 -8,-3.3 -8,-2.4 -2,-0.3 2,-0.5 -0.924 9.8-162.5-121.1 142.3 -73.2 -0.5 -130.8 20 14 A I E -Ab 10 56A 0 35,-2.8 37,-2.4 -2,-0.4 2,-0.6 -0.987 18.5-168.5-120.0 118.3 -71.0 2.4 -130.0 21 15 A R E -Ab 9 57A 84 -12,-2.1 -12,-1.9 -2,-0.5 37,-0.2 -0.899 14.0-140.3-118.6 104.3 -67.6 1.1 -128.9 22 16 A L E +Ab 8 58A 0 35,-2.7 37,-3.0 -2,-0.6 2,-0.3 -0.404 23.0 176.7 -59.8 129.2 -65.2 3.5 -127.4 23 17 A C + 0 0 37 -16,-2.8 37,-0.1 35,-0.2 -1,-0.1 -0.751 24.1 134.3-140.3 93.0 -61.7 2.9 -128.5 24 18 A N >>> - 0 0 22 -2,-0.3 4,-1.3 35,-0.2 5,-0.8 -0.655 59.2-109.1-137.9 76.4 -59.1 5.4 -127.2 25 19 A P T 345S+ 0 0 79 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.088 88.0 25.1 -44.1 141.8 -56.1 3.2 -126.0 26 20 A P T 345S- 0 0 114 0, 0.0 36,-0.1 0, 0.0 -2,-0.0 -0.956 140.3 -9.5 -85.5 -28.7 -55.0 2.6 -123.3 27 21 A V T <45S- 0 0 58 -3,-0.5 38,-1.4 -2,-0.1 39,-0.2 0.157 91.6-104.7-126.1 18.9 -58.1 3.0 -121.1 28 22 A N T <5 - 0 0 2 -4,-1.3 38,-0.3 36,-0.2 -6,-0.1 0.821 47.9-169.8 60.5 42.3 -60.7 4.6 -123.4 29 23 A A < - 0 0 8 -5,-0.8 2,-0.7 35,-0.2 38,-0.2 -0.217 25.8-114.2 -57.9 144.1 -60.4 8.1 -121.9 30 24 A V B +f 67 0B 9 36,-2.3 38,-1.0 4,-0.1 -1,-0.1 -0.744 45.8 167.2 -93.1 120.2 -63.1 10.4 -123.2 31 25 A S > - 0 0 21 -2,-0.7 4,-2.3 36,-0.2 3,-0.2 -0.725 54.4 -87.9-123.4 170.2 -61.6 13.2 -125.2 32 26 A P H > S+ 0 0 100 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.908 128.1 50.9 -48.1 -44.5 -63.2 15.7 -127.5 33 27 A T H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 107.6 52.3 -62.6 -41.2 -62.9 13.3 -130.4 34 28 A V H > S+ 0 0 1 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.932 111.5 47.1 -60.7 -44.5 -64.6 10.5 -128.5 35 29 A I H X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.967 112.6 48.8 -59.4 -55.6 -67.5 12.8 -127.7 36 30 A R H X S+ 0 0 147 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.872 114.9 45.6 -50.9 -42.4 -67.8 14.1 -131.3 37 31 A E H X S+ 0 0 21 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.874 109.6 52.9 -78.5 -34.4 -67.8 10.5 -132.5 38 32 A V H X S+ 0 0 1 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.923 109.1 51.9 -56.5 -45.6 -70.2 9.2 -129.9 39 33 A R H X S+ 0 0 61 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 106.3 54.0 -59.8 -42.2 -72.5 12.1 -131.1 40 34 A N H X S+ 0 0 62 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 106.8 51.8 -57.7 -44.3 -72.1 10.9 -134.7 41 35 A G H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.920 107.6 50.8 -55.2 -46.8 -73.2 7.4 -133.7 42 36 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 110.0 52.4 -64.2 -40.6 -76.4 8.7 -132.0 43 37 A Q H X S+ 0 0 135 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.861 111.5 44.7 -57.6 -44.2 -77.1 10.6 -135.2 44 38 A K H < S+ 0 0 123 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.863 117.5 43.9 -71.2 -37.8 -76.7 7.5 -137.4 45 39 A A H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 6,-0.3 0.841 109.4 60.6 -73.5 -30.5 -78.8 5.3 -135.1 46 40 A G H 3< S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.841 108.7 38.9 -66.1 -36.5 -81.3 8.1 -134.7 47 41 A S T 3< S+ 0 0 106 -4,-1.2 2,-0.8 -5,-0.1 -1,-0.2 0.383 96.4 90.6 -98.1 -0.1 -82.3 8.3 -138.3 48 42 A D X - 0 0 49 -3,-0.7 3,-2.2 -4,-0.3 -1,-0.1 -0.858 58.0-164.8-103.3 102.6 -82.2 4.6 -139.0 49 43 A H T 3 S+ 0 0 151 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.0 0.718 87.0 65.2 -59.9 -23.6 -85.7 3.1 -138.3 50 44 A T T 3 S+ 0 0 48 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.615 85.3 84.2 -74.6 -16.3 -84.1 -0.4 -138.3 51 45 A V < + 0 0 1 -3,-2.2 -34,-0.2 -6,-0.3 3,-0.1 -0.832 49.2 169.0 -87.9 124.5 -82.1 0.5 -135.1 52 46 A K + 0 0 86 -36,-3.5 2,-0.3 -2,-0.5 -35,-0.2 0.530 62.5 8.6-113.5 -13.2 -84.2 -0.0 -131.9 53 47 A A E -b 17 0A 0 -37,-0.7 -35,-2.2 40,-0.2 2,-0.4 -0.964 63.5-133.6-163.5 153.6 -81.6 0.3 -129.2 54 48 A I E -bc 18 95A 0 40,-2.4 42,-3.0 -2,-0.3 2,-0.5 -0.941 5.8-156.4-116.9 136.7 -78.0 1.2 -128.6 55 49 A V E -bc 19 96A 0 -37,-2.6 -35,-2.8 -2,-0.4 2,-0.5 -0.943 11.5-162.1-106.6 123.4 -75.3 -0.5 -126.6 56 50 A I E +bc 20 97A 0 40,-3.2 42,-3.1 -2,-0.5 2,-0.3 -0.950 26.5 144.2-103.9 127.5 -72.5 1.7 -125.5 57 51 A C E -bc 21 98A 4 -37,-2.4 -35,-2.7 -2,-0.5 2,-0.4 -0.915 42.0-108.3-149.2 174.5 -69.3 -0.0 -124.4 58 52 A G E -b 22 0A 14 40,-0.6 3,-0.4 -2,-0.3 2,-0.2 -0.884 27.4-124.8-110.5 147.3 -65.5 0.2 -124.4 59 53 A A S > S+ 0 0 14 -37,-3.0 3,-0.7 -2,-0.4 -35,-0.2 -0.550 81.0 23.6 -81.9 147.5 -62.9 -1.9 -126.4 60 54 A N T 3 S- 0 0 128 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.761 129.7 -47.7 75.7 33.0 -60.1 -3.9 -124.8 61 55 A G T 3 S+ 0 0 35 -3,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.272 116.1 85.1 99.6 -10.0 -61.2 -4.7 -121.3 62 56 A N < - 0 0 39 -3,-0.7 39,-0.3 39,-0.2 -1,-0.1 -0.980 52.2-161.6-129.0 137.1 -62.3 -1.2 -120.2 63 57 A F S S- 0 0 0 37,-1.9 40,-0.2 39,-0.5 2,-0.2 0.992 76.4 -44.4 -65.6 -67.4 -65.5 0.8 -120.4 64 58 A C B -g 103 0C 0 38,-3.0 40,-2.3 36,-0.1 -36,-0.2 -0.768 36.2-155.2-174.7 121.9 -64.0 4.3 -119.7 65 59 A A - 0 0 31 -38,-1.4 2,-0.2 1,-0.3 -36,-0.1 0.372 60.3 -98.2 -89.8 4.0 -61.5 5.6 -117.2 66 60 A G - 0 0 4 -38,-0.3 -36,-2.3 39,-0.2 -1,-0.3 -0.584 67.8 -18.5 118.9-176.6 -62.8 9.2 -117.3 67 61 A A B S-f 30 0B 34 -38,-0.2 2,-0.5 -2,-0.2 -36,-0.2 -0.271 92.6 -78.5 -54.2 156.6 -61.9 12.3 -119.1 68 62 A D - 0 0 58 -38,-1.0 3,-0.3 1,-0.2 -1,-0.1 -0.492 42.0-158.0 -73.9 120.2 -58.2 12.2 -120.3 69 63 A I S > S+ 0 0 48 -2,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.773 83.1 58.8 -80.5 -27.4 -56.0 12.9 -117.5 70 64 A H T 3 S+ 0 0 143 1,-0.2 2,-0.3 208,-0.0 -1,-0.2 0.932 101.7 58.6 -62.4 -39.0 -52.8 14.1 -119.2 71 65 A G T 3 S+ 0 0 38 -3,-0.3 2,-0.3 5,-0.1 -1,-0.2 0.021 75.9 128.9 -86.7 33.8 -54.7 16.9 -120.9 72 66 A F < + 0 0 25 -3,-1.0 2,-0.2 -2,-0.3 -3,-0.0 -0.664 26.5 147.9 -83.5 143.4 -56.0 18.6 -117.7 73 67 A S - 0 0 41 -2,-0.3 -2,-0.0 4,-0.1 197,-0.0 -0.881 67.6 -86.9-148.7-177.5 -55.4 22.4 -117.2 74 68 A A S S+ 0 0 47 -2,-0.2 192,-0.0 1,-0.2 191,-0.0 0.692 135.4 24.2 -59.9 -18.6 -56.9 25.6 -115.7 75 69 A F S S+ 0 0 162 190,-0.1 -1,-0.2 191,-0.0 191,-0.1 0.612 108.4 81.6-114.1 -26.0 -58.6 25.5 -119.1 76 70 A T + 0 0 66 189,-0.2 2,-0.5 2,-0.1 -4,-0.2 0.946 61.2 64.2 -93.4 -66.6 -58.8 22.1 -120.4 77 71 A P S S- 0 0 22 0, 0.0 -4,-0.1 0, 0.0 -46,-0.0 -0.483 80.7-157.9 -62.0 119.7 -61.2 19.4 -119.6 78 72 A G - 0 0 48 -2,-0.5 3,-0.5 1,-0.0 4,-0.2 -0.049 27.9 -98.0 -88.6-175.8 -64.4 21.1 -121.0 79 73 A L S > S+ 0 0 48 1,-0.2 4,-1.1 2,-0.1 3,-0.2 0.343 90.7 99.8 -87.3 7.1 -68.2 21.0 -120.7 80 74 A A H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.785 75.8 57.1 -69.0 -23.8 -68.8 18.8 -123.7 81 75 A L H > S+ 0 0 15 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.929 102.8 53.6 -72.2 -42.7 -69.3 15.6 -121.8 82 76 A G H > S+ 0 0 1 55,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.851 108.4 49.7 -58.7 -35.6 -72.1 17.0 -119.7 83 77 A S H X S+ 0 0 49 -4,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.829 110.0 51.3 -76.5 -29.9 -74.0 18.0 -122.7 84 78 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.933 107.1 54.3 -67.9 -42.8 -73.4 14.5 -124.2 85 79 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.923 111.5 44.3 -56.0 -46.3 -74.8 12.9 -120.9 86 80 A D H X S+ 0 0 13 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.847 110.5 55.0 -67.0 -34.3 -77.9 15.0 -121.3 87 81 A E H < S+ 0 0 66 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.867 108.6 48.1 -66.1 -41.9 -78.2 14.2 -125.0 88 82 A I H >< S+ 0 0 0 -4,-2.6 3,-1.3 2,-0.2 -1,-0.2 0.893 108.6 53.9 -64.7 -42.2 -78.1 10.5 -124.3 89 83 A Q H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.930 111.3 46.2 -59.4 -40.0 -80.8 10.8 -121.5 90 84 A R T 3< S+ 0 0 140 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.462 85.5 125.5 -81.5 -5.1 -83.1 12.5 -124.0 91 85 A Y < - 0 0 28 -3,-1.3 4,-0.1 -4,-0.2 -3,-0.1 -0.169 59.8-138.6 -59.0 154.5 -82.4 10.0 -126.7 92 86 A Q S S+ 0 0 161 2,-0.1 -1,-0.1 106,-0.0 106,-0.1 0.213 84.8 59.5-106.9 10.7 -85.6 8.4 -128.1 93 87 A K S S- 0 0 37 105,-0.0 -40,-0.2 -39,-0.0 -41,-0.1 -0.974 100.8 -96.0-129.3 143.7 -84.3 4.9 -128.4 94 88 A P - 0 0 7 0, 0.0 -40,-2.4 0, 0.0 2,-0.5 -0.325 35.9-156.0 -61.1 141.0 -83.1 3.1 -125.2 95 89 A V E -c 54 0A 0 -42,-0.2 20,-2.2 -4,-0.1 21,-1.7 -0.982 6.5-164.8-121.1 120.7 -79.4 3.2 -124.7 96 90 A L E -cd 55 116A 0 -42,-3.0 -40,-3.2 -2,-0.5 2,-0.6 -0.872 11.4-142.7-107.4 135.5 -77.7 0.5 -122.6 97 91 A A E -cd 56 117A 0 19,-3.3 21,-2.9 -2,-0.4 2,-0.7 -0.847 9.2-160.5 -97.4 123.4 -74.2 0.8 -121.1 98 92 A A E -cd 57 118A 1 -42,-3.1 2,-0.8 -2,-0.6 -40,-0.6 -0.906 14.1-158.3-105.6 107.0 -72.2 -2.4 -121.1 99 93 A I E + d 0 119A 0 19,-3.6 21,-2.2 -2,-0.7 2,-0.4 -0.775 19.5 169.8-102.4 107.9 -69.4 -2.0 -118.6 100 94 A Q - 0 0 66 -2,-0.8 -37,-1.9 19,-0.2 2,-0.5 -0.916 66.7 -20.2-104.1 139.5 -66.3 -4.1 -118.7 101 95 A G S S+ 0 0 13 -2,-0.4 23,-2.2 -39,-0.3 2,-0.4 -0.523 118.3 6.6 70.9-116.6 -63.4 -3.2 -116.4 102 96 A V E + h 0 124C 9 -2,-0.5 -38,-3.0 21,-0.2 -39,-0.5 -0.780 41.2 178.6-117.7 136.5 -63.6 0.4 -115.2 103 97 A A E +gh 64 125C 0 21,-2.1 23,-1.3 -2,-0.4 2,-0.4 -0.911 30.3 166.9-128.5 105.2 -66.1 3.2 -115.5 104 98 A L E > - h 0 126C 13 -40,-2.3 3,-2.5 -2,-0.4 23,-0.2 -0.962 47.7 -34.8-134.8 139.9 -64.7 6.1 -113.6 105 99 A G T >> S+ 0 0 4 21,-2.5 4,-2.4 -2,-0.4 3,-1.4 -0.350 138.6 12.4 52.5-120.9 -65.4 9.8 -113.3 106 100 A G H 3> S+ 0 0 4 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.729 129.4 62.2 -55.4 -25.3 -66.6 11.0 -116.7 107 101 A G H <> S+ 0 0 0 -3,-2.5 4,-1.3 2,-0.2 -1,-0.3 0.855 106.6 40.6 -64.7 -43.9 -66.9 7.3 -117.5 108 102 A L H <> S+ 0 0 5 -3,-1.4 4,-2.5 18,-0.3 -2,-0.2 0.820 114.6 54.3 -72.0 -34.2 -69.5 6.7 -114.8 109 103 A E H X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.968 106.8 51.2 -63.4 -48.3 -71.1 10.0 -115.8 110 104 A L H X S+ 0 0 2 -4,-2.9 4,-0.5 1,-0.2 3,-0.3 0.871 111.4 47.6 -48.5 -45.7 -71.3 8.7 -119.3 111 105 A A H >< S+ 0 0 0 -4,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.861 105.8 57.3 -72.2 -34.4 -72.9 5.6 -118.1 112 106 A L H 3< S+ 0 0 1 -4,-2.5 91,-0.3 1,-0.3 -1,-0.2 0.737 98.1 63.7 -66.4 -19.8 -75.4 7.5 -115.9 113 107 A G H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.735 91.5 86.0 -72.5 -23.4 -76.5 9.2 -119.1 114 108 A C S << S- 0 0 0 -3,-1.2 89,-0.3 -4,-0.5 -18,-0.2 -0.262 80.2-133.1 -72.6 160.3 -77.6 5.8 -120.3 115 109 A H S S+ 0 0 0 -20,-2.2 2,-0.3 1,-0.2 -19,-0.2 0.785 90.2 29.5 -86.3 -31.9 -81.0 4.4 -119.6 116 110 A Y E -d 96 0A 15 -21,-1.7 -19,-3.3 -5,-0.1 2,-0.4 -0.977 64.8-160.2-131.4 149.4 -79.6 0.9 -118.6 117 111 A R E +d 97 0A 7 -2,-0.3 58,-3.5 -21,-0.2 59,-1.4 -0.964 10.5 175.5-135.3 117.3 -76.4 -0.2 -117.0 118 112 A I E -de 98 176A 0 -21,-2.9 -19,-3.6 -2,-0.4 2,-0.3 -0.978 10.9-176.7-120.1 131.2 -75.0 -3.8 -117.2 119 113 A A E -de 99 177A 0 57,-2.4 59,-1.8 -2,-0.4 -19,-0.2 -0.917 29.2-115.7-128.8 153.1 -71.6 -4.7 -115.8 120 114 A N E > - e 0 178A 15 -21,-2.2 3,-1.6 -2,-0.3 59,-0.2 -0.511 40.2-110.9 -72.0 154.0 -69.3 -7.7 -115.5 121 115 A A T 3 S+ 0 0 42 57,-1.6 44,-0.6 1,-0.3 45,-0.4 0.734 117.5 55.5 -63.6 -23.9 -68.7 -8.8 -111.9 122 116 A K T 3 S+ 0 0 173 42,-0.1 -1,-0.3 43,-0.1 -22,-0.1 0.459 85.6 115.6 -82.5 -4.2 -65.0 -7.6 -112.0 123 117 A A < - 0 0 1 -3,-1.6 42,-1.1 -24,-0.2 2,-0.4 -0.315 49.5-159.8 -72.3 149.1 -66.1 -4.1 -113.1 124 118 A R E -hI 102 164C 123 -23,-2.2 -21,-2.1 40,-0.2 2,-0.3 -0.984 7.9-174.8-129.7 138.7 -65.4 -1.1 -110.8 125 119 A V E +hI 103 163C 1 38,-2.1 38,-2.7 -2,-0.4 2,-0.3 -0.927 18.3 125.6-129.8 155.3 -67.1 2.2 -110.9 126 120 A G E -hI 104 162C 5 -23,-1.3 -21,-2.5 -2,-0.3 -18,-0.3 -0.920 52.7-106.3 171.9 179.9 -66.6 5.5 -109.0 127 121 A L > + 0 0 2 34,-0.6 3,-0.5 29,-0.3 4,-0.2 -0.816 33.0 169.0-128.0 83.3 -66.1 9.2 -109.1 128 122 A P G > + 0 0 20 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.435 43.6 111.7 -84.5 8.1 -62.4 10.1 -108.2 129 123 A E G > > + 0 0 16 1,-0.3 3,-3.0 2,-0.2 5,-1.6 0.862 68.0 61.4 -48.2 -48.4 -62.6 13.7 -109.3 130 124 A V G X 5S+ 0 0 10 -3,-0.5 3,-1.9 27,-0.5 -1,-0.3 0.895 98.0 62.8 -48.7 -36.1 -62.3 15.1 -105.8 131 125 A T G < 5S+ 0 0 64 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 103.3 46.4 -59.2 -22.9 -58.9 13.4 -105.8 132 126 A L G < 5S- 0 0 11 -3,-3.0 142,-0.3 -4,-0.4 -1,-0.3 0.242 124.2-102.7-106.1 6.2 -57.6 15.5 -108.6 133 127 A G T < 5S+ 0 0 2 -3,-1.9 137,-0.2 -4,-0.4 -3,-0.2 0.576 94.9 89.4 78.5 11.7 -59.0 18.7 -107.0 134 128 A I < - 0 0 6 -5,-1.6 -1,-0.3 -6,-0.1 104,-0.1 -0.335 68.5-123.5-112.5-155.5 -62.0 18.9 -109.3 135 129 A L - 0 0 0 -2,-0.1 2,-1.1 -3,-0.1 5,-0.1 -0.912 43.9 -73.9-147.2 162.7 -65.7 17.5 -109.1 136 130 A P > + 0 0 0 0, 0.0 5,-1.1 0, 0.0 3,-0.2 -0.580 58.0 173.2 -66.3 100.1 -67.9 15.3 -111.3 137 131 A G T 5 + 0 0 10 -2,-1.1 -55,-0.3 1,-0.2 125,-0.1 0.228 58.7 74.6-108.0 7.6 -68.6 18.0 -113.8 138 132 A A T 5S- 0 0 3 -57,-0.1 -1,-0.2 -56,-0.1 116,-0.0 -0.433 128.9 -74.1-107.5 55.4 -70.5 16.0 -116.5 139 133 A R T >>5S+ 0 0 19 -3,-0.2 4,-2.7 115,-0.1 3,-1.1 0.362 98.7 124.3 80.7 -3.9 -73.7 15.9 -114.3 140 134 A G H 3>5S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -3,-0.1 0.829 73.0 53.9 -55.3 -32.3 -72.5 13.3 -111.8 141 135 A T H 34X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 3,-0.8 0.843 103.3 62.6 -78.3 -43.9 -77.5 12.7 -111.2 144 138 A L H >X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 3,-1.1 0.922 102.8 50.1 -60.2 -43.2 -75.8 10.6 -108.6 145 139 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.811 103.5 60.7 -62.2 -25.0 -78.0 11.8 -105.7 146 140 A R H <4 S+ 0 0 23 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.795 113.6 37.4 -72.8 -21.4 -81.1 11.1 -107.8 147 141 A V H << S+ 0 0 35 -3,-1.1 -1,-0.2 -4,-1.0 -3,-0.1 0.815 134.8 16.1 -93.2 -42.1 -80.1 7.4 -107.9 148 142 A V H < S- 0 0 26 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.515 104.9-112.0-115.9 -3.8 -78.6 6.8 -104.5 149 143 A G X - 0 0 9 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.001 39.9 -71.8 83.3 162.6 -79.9 9.7 -102.4 150 144 A V H > S+ 0 0 2 59,-0.3 4,-3.2 2,-0.2 5,-0.2 0.896 121.5 52.8 -63.2 -52.0 -77.8 12.5 -100.9 151 145 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 115.4 41.5 -54.5 -48.1 -75.9 10.8 -98.0 152 146 A V H > S+ 0 0 49 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.946 114.6 50.7 -65.0 -50.9 -74.4 8.1 -100.2 153 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.922 111.1 50.9 -52.2 -48.1 -73.7 10.5 -103.1 154 148 A L H X S+ 0 0 10 -4,-3.2 4,-2.4 2,-0.2 5,-0.3 0.917 111.9 47.7 -47.4 -52.5 -72.0 12.7 -100.5 155 149 A D H X S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.2 6,-0.3 0.922 116.2 41.1 -60.0 -49.9 -69.9 9.8 -99.4 156 150 A L H X S+ 0 0 12 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.885 118.5 44.6 -68.5 -40.2 -68.9 8.6 -102.8 157 151 A I H < S+ 0 0 0 -4,-2.8 -27,-0.5 -5,-0.3 -1,-0.2 0.858 114.4 46.3 -81.9 -34.8 -68.2 11.9 -104.3 158 152 A T H < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.774 123.0 35.2 -74.8 -30.2 -66.2 13.5 -101.4 159 153 A S H < S- 0 0 37 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.785 92.4-141.7 -93.5 -29.7 -64.0 10.4 -100.9 160 154 A G < + 0 0 7 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.665 39.9 166.5 75.5 18.9 -63.7 9.3 -104.6 161 155 A K - 0 0 93 -5,-0.3 -34,-0.6 -6,-0.3 2,-0.3 -0.263 32.4-126.2 -70.7 153.0 -63.9 5.6 -103.6 162 156 A Y E -I 126 0C 100 -36,-0.2 2,-0.4 -34,-0.1 -36,-0.2 -0.668 18.7-149.7 -94.0 154.1 -64.5 2.8 -106.1 163 157 A L E -I 125 0C 10 -38,-2.7 -38,-2.1 -2,-0.3 2,-0.1 -0.946 15.3-120.6-121.4 140.2 -67.3 0.3 -105.8 164 158 A S E > -I 124 0C 25 -2,-0.4 4,-2.0 -40,-0.2 -40,-0.2 -0.340 37.4-101.4 -66.4 166.1 -67.4 -3.2 -107.0 165 159 A A H > S+ 0 0 0 -42,-1.1 4,-2.7 -44,-0.6 5,-0.2 0.916 122.7 51.9 -55.1 -42.7 -70.1 -4.2 -109.5 166 160 A D H > S+ 0 0 66 -45,-0.4 4,-2.5 1,-0.2 5,-0.2 0.912 108.0 48.2 -63.8 -46.8 -72.1 -5.8 -106.7 167 161 A E H > S+ 0 0 55 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.863 113.8 49.2 -62.9 -34.6 -72.0 -2.9 -104.4 168 162 A A H X>S+ 0 0 0 -4,-2.0 5,-1.6 2,-0.2 6,-0.9 0.911 109.6 50.8 -75.1 -40.1 -73.1 -0.7 -107.2 169 163 A L H ><5S+ 0 0 62 -4,-2.7 3,-1.5 4,-0.2 -2,-0.2 0.935 109.7 49.5 -54.8 -49.4 -75.9 -3.0 -108.2 170 164 A R H 3<5S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.6 53.0 -70.5 -17.8 -77.3 -3.1 -104.7 171 165 A L H 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.567 117.0-112.2 -87.7 -11.4 -77.1 0.7 -104.7 172 166 A G T <<5S+ 0 0 34 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.342 89.0 112.4 93.9 -7.4 -79.1 1.1 -107.9 173 167 A I S - 0 0 85 1,-0.2 4,-2.1 -2,-0.1 -1,-0.2 -0.302 48.7-157.7 -54.6 115.3 -69.4 -10.9 -121.1 182 176 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.828 91.5 55.2 -65.0 -32.7 -71.4 -7.8 -120.2 183 177 A V H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.935 106.7 49.6 -66.3 -45.7 -72.0 -6.9 -123.8 184 178 A E H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.932 111.9 49.6 -57.0 -47.8 -73.5 -10.2 -124.5 185 179 A E H X S+ 0 0 37 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.896 108.5 53.0 -56.9 -41.7 -75.8 -9.7 -121.5 186 180 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.795 104.3 54.7 -68.6 -31.0 -76.8 -6.3 -122.6 187 181 A I H X S+ 0 0 34 -4,-1.9 4,-1.1 -3,-0.3 -1,-0.2 0.911 112.3 44.8 -68.1 -41.2 -77.8 -7.6 -126.1 188 182 A K H >X S+ 0 0 124 -4,-1.9 3,-1.4 2,-0.2 4,-0.8 0.984 113.6 50.0 -59.6 -55.5 -80.1 -10.0 -124.3 189 183 A F H >X S+ 0 0 18 -4,-3.1 3,-1.4 1,-0.3 4,-0.6 0.886 103.2 59.4 -50.4 -50.4 -81.3 -7.3 -121.9 190 184 A A H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 3,-0.8 0.805 98.5 60.3 -49.5 -36.2 -82.1 -5.0 -124.8 191 185 A Q H << S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-1.1 4,-0.2 0.805 106.4 46.5 -62.4 -33.7 -84.5 -7.6 -126.2 192 186 A K H << S+ 0 0 132 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.492 121.0 34.9 -88.7 -6.8 -86.7 -7.5 -123.1 193 187 A I H X< S+ 0 0 11 -3,-0.8 3,-1.1 -4,-0.6 -2,-0.2 0.343 82.7 110.3-125.0 -2.1 -86.8 -3.6 -122.8 194 188 A I T 3< S+ 0 0 35 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.813 88.1 30.8 -48.0 -42.9 -86.9 -2.6 -126.4 195 189 A D T 3 S+ 0 0 144 -4,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.492 94.3 118.0-101.3 -0.1 -90.5 -1.4 -126.5 196 190 A K S < S- 0 0 129 -3,-1.1 2,-0.1 1,-0.1 -3,-0.1 -0.274 78.8 -95.3 -61.4 145.6 -90.6 -0.2 -123.0 197 191 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.453 29.2-152.9 -58.4 140.7 -91.2 3.5 -122.3 198 192 A I S > S+ 0 0 23 1,-0.2 3,-2.9 -2,-0.1 4,-0.4 0.739 75.3 86.9 -87.2 -26.5 -87.8 5.3 -121.8 199 193 A E G > S+ 0 0 91 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.783 85.0 53.2 -50.9 -41.1 -89.1 8.1 -119.6 200 194 A P G 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.615 105.0 58.6 -69.1 -11.0 -88.7 6.2 -116.3 201 195 A R G < S+ 0 0 60 -3,-2.9 2,-1.1 -112,-0.1 -2,-0.2 0.457 78.6 99.3 -97.2 -3.4 -85.1 5.6 -117.3 202 196 A R X - 0 0 26 -3,-1.3 3,-1.9 -4,-0.4 4,-0.2 -0.713 56.6-167.4 -86.7 100.1 -84.3 9.2 -117.6 203 197 A I G > S+ 0 0 3 -2,-1.1 3,-2.1 -91,-0.3 -1,-0.2 0.820 80.0 66.7 -55.7 -36.9 -82.5 10.0 -114.3 204 198 A F G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -3,-0.1 46,-0.2 0.671 99.2 51.5 -65.2 -15.1 -82.6 13.7 -114.7 205 199 A N G < S+ 0 0 86 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.347 89.6 92.7 -97.6 2.7 -86.4 13.7 -114.5 206 200 A K S < S- 0 0 78 -3,-2.1 2,-0.1 -4,-0.2 -60,-0.0 -0.881 80.6-130.7 -89.8 123.2 -86.3 11.7 -111.2 207 201 A P - 0 0 107 0, 0.0 39,-0.1 0, 0.0 -2,-0.1 -0.444 27.4 -97.3 -73.0 148.2 -86.3 14.2 -108.4 208 202 A V - 0 0 24 37,-0.4 -62,-0.2 1,-0.1 2,-0.1 -0.503 48.9-104.3 -55.3 129.9 -83.7 13.8 -105.6 209 203 A P - 0 0 62 0, 0.0 -59,-0.3 0, 0.0 2,-0.1 -0.404 39.4-131.4 -56.4 129.3 -85.2 11.9 -102.7 210 204 A S - 0 0 110 -2,-0.1 3,-0.1 -61,-0.1 36,-0.0 -0.395 18.2-163.2 -82.2 165.0 -86.1 14.3 -99.8 211 205 A L > - 0 0 67 1,-0.1 3,-1.4 -2,-0.1 4,-0.2 -0.993 26.2-131.8-143.2 141.5 -85.3 13.9 -96.1 212 206 A P T 3 S+ 0 0 140 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.921 112.4 43.3 -59.3 -39.8 -86.8 15.7 -93.1 213 207 A N T >> S+ 0 0 85 1,-0.2 4,-2.4 2,-0.1 3,-0.8 0.148 74.5 126.6 -92.6 22.2 -83.2 16.3 -91.8 214 208 A M H <> S+ 0 0 15 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.835 71.9 53.9 -47.6 -41.3 -81.7 17.3 -95.2 215 209 A D H 3> S+ 0 0 141 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.892 111.4 45.6 -62.0 -41.3 -80.3 20.6 -93.8 216 210 A S H <> S+ 0 0 57 -3,-0.8 4,-2.1 2,-0.2 5,-0.3 0.865 105.1 60.1 -68.8 -41.2 -78.6 18.8 -91.0 217 211 A V H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.918 111.6 42.6 -49.2 -45.8 -77.2 16.1 -93.5 218 212 A F H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.917 109.8 53.8 -69.8 -47.2 -75.5 19.1 -95.3 219 213 A A H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.888 114.0 43.9 -54.5 -42.2 -74.2 21.0 -92.2 220 214 A E H X S+ 0 0 135 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.789 110.3 53.2 -77.1 -31.4 -72.6 17.8 -91.0 221 215 A A H X S+ 0 0 15 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.907 110.2 50.5 -65.8 -39.5 -71.1 16.8 -94.4 222 216 A I H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.959 112.0 46.5 -58.7 -52.9 -69.6 20.3 -94.5 223 217 A A H X S+ 0 0 55 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.863 111.0 52.0 -57.2 -41.2 -68.1 19.8 -91.0 224 218 A K H X S+ 0 0 115 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.900 110.3 48.2 -64.5 -39.0 -66.8 16.3 -91.8 225 219 A V H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 7,-0.2 0.868 110.1 52.4 -70.5 -34.0 -65.0 17.7 -94.9 226 220 A R H < S+ 0 0 136 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.852 116.8 39.0 -70.4 -33.5 -63.5 20.5 -92.9 227 221 A K H < S+ 0 0 182 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.920 119.5 43.3 -79.6 -51.6 -62.1 18.1 -90.3 228 222 A Q H < S+ 0 0 110 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.809 131.7 20.6 -66.6 -32.8 -61.0 15.3 -92.6 229 223 A Y S >< S- 0 0 76 -4,-1.9 3,-2.0 -5,-0.3 -1,-0.2 -0.498 82.0-164.5-138.0 67.2 -59.4 17.5 -95.2 230 224 A P T 3 S+ 0 0 88 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.263 74.6 4.6 -66.1 138.0 -58.7 20.9 -93.7 231 225 A G T 3 S+ 0 0 60 1,-0.2 2,-0.7 -5,-0.1 -5,-0.1 0.408 94.0 130.5 68.5 -1.8 -58.0 23.7 -96.2 232 226 A V <> - 0 0 28 -3,-2.0 4,-0.8 -7,-0.2 -1,-0.2 -0.760 42.5-161.9 -87.9 114.7 -58.8 21.4 -99.2 233 227 A L H > S+ 0 0 54 -2,-0.7 4,-2.1 1,-0.2 3,-0.5 0.890 75.6 61.8 -54.8 -49.2 -61.2 23.1 -101.7 234 228 A A H > S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.841 99.7 50.0 -65.1 -42.5 -62.5 20.2 -103.7 235 229 A P H > S+ 0 0 4 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.877 115.3 43.7 -64.6 -35.7 -64.2 18.1 -101.1 236 230 A E H >X S+ 0 0 48 -4,-0.8 4,-1.9 -3,-0.5 3,-0.5 0.944 113.5 50.4 -68.3 -46.2 -66.2 21.0 -99.6 237 231 A T H 3X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.826 104.1 59.9 -65.2 -32.7 -67.1 22.3 -103.1 238 232 A C H 3X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.3 0.896 104.6 50.9 -55.1 -41.7 -68.3 18.8 -103.9 239 233 A V H X S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 4,-0.6 0.885 107.6 60.2 -70.6 -40.6 -74.6 18.2 -104.5 243 237 A Q H >X S+ 0 0 25 -4,-2.7 4,-2.0 1,-0.3 3,-1.2 0.857 96.7 63.4 -53.2 -36.7 -76.5 20.6 -102.3 244 238 A A H 3X S+ 0 0 6 -4,-1.7 4,-1.2 1,-0.3 -1,-0.3 0.647 95.1 58.1 -62.4 -24.9 -77.5 22.4 -105.5 245 239 A S H <4 S+ 0 0 4 -3,-2.0 -37,-0.4 -4,-0.2 -1,-0.3 0.645 109.7 43.4 -82.0 -20.5 -79.4 19.4 -106.7 246 240 A V H << S+ 0 0 56 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.818 116.9 48.0 -83.2 -43.0 -81.6 19.5 -103.6 247 241 A K H < S+ 0 0 137 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.714 116.8 29.2 -71.7 -27.4 -82.0 23.3 -103.8 248 242 A H S < S- 0 0 81 -4,-1.2 2,-0.1 -5,-0.1 0, 0.0 -0.839 83.3 -95.6-135.9 161.1 -82.9 23.7 -107.4 249 243 A P >> - 0 0 71 0, 0.0 4,-2.1 0, 0.0 3,-2.1 -0.473 54.2 -94.4 -72.8 163.9 -84.6 22.0 -110.4 250 244 A Y H 3> S+ 0 0 7 1,-0.3 4,-2.8 -46,-0.2 5,-0.3 0.825 122.1 55.1 -47.5 -56.7 -82.2 20.1 -112.8 251 245 A E H 34 S+ 0 0 123 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.684 116.0 42.2 -52.2 -26.9 -81.7 22.9 -115.4 252 246 A V H X> S+ 0 0 64 -3,-2.1 4,-1.3 2,-0.2 3,-0.9 0.909 110.8 51.5 -86.7 -48.4 -80.5 25.0 -112.6 253 247 A G H >X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.3 3,-0.6 0.917 105.0 59.5 -53.5 -48.8 -78.4 22.5 -110.6 254 248 A I H 3X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.3 -1,-0.3 0.837 105.1 48.0 -43.1 -44.7 -76.5 21.7 -113.7 255 249 A K H <> S+ 0 0 120 -3,-0.9 4,-1.7 -4,-0.4 -1,-0.3 0.793 109.9 51.2 -76.4 -28.4 -75.4 25.3 -114.1 256 250 A E H < S+ 0 0 124 -4,-1.9 3,-0.7 2,-0.2 4,-0.3 0.958 116.0 38.5 -64.9 -48.1 -63.8 27.3 -110.3 264 258 A L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 6,-0.4 0.905 107.8 63.3 -67.0 -39.4 -62.0 24.1 -109.1 265 259 A R H 3< S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.6 40.8 -61.6 -22.1 -60.6 23.3 -112.4 266 260 A A T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.313 89.9 116.1-109.0 1.1 -58.6 26.5 -112.3 267 261 A S S <> S- 0 0 20 -3,-2.1 4,-1.2 -4,-0.3 -3,-0.0 -0.353 70.7-128.0 -67.3 156.2 -57.5 26.3 -108.7 268 262 A G H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.796 110.3 60.2 -67.8 -32.6 -53.9 26.0 -107.8 269 263 A Q H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 101.5 52.3 -65.9 -35.6 -54.8 23.0 -105.6 270 264 A A H > S+ 0 0 1 -6,-0.4 4,-1.7 -137,-0.2 5,-0.2 0.908 108.8 51.2 -60.7 -43.7 -56.1 21.2 -108.7 271 265 A K H X S+ 0 0 137 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.939 114.5 44.6 -59.6 -44.8 -52.8 21.9 -110.4 272 266 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 392,-0.3 -2,-0.2 0.856 110.7 50.3 -62.2 -42.3 -51.0 20.5 -107.3 273 267 A L H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.3 -1,-0.2 0.792 112.3 48.1 -77.2 -28.6 -53.1 17.4 -106.8 274 268 A Q H X S+ 0 0 22 -4,-1.7 4,-2.4 -142,-0.3 -1,-0.2 0.850 110.8 51.1 -73.9 -43.9 -52.7 16.5 -110.5 275 269 A Y H X S+ 0 0 32 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.939 107.8 54.1 -55.7 -40.7 -49.1 17.1 -110.1 276 270 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 106.9 51.2 -63.9 -40.0 -49.2 14.8 -107.1 277 271 A F H X S+ 0 0 59 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.957 114.2 42.6 -59.6 -55.1 -50.9 12.0 -109.2 278 272 A F H X S+ 0 0 69 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.890 110.0 55.4 -59.6 -39.8 -48.2 12.2 -111.9 279 273 A A H < S+ 0 0 1 -4,-3.3 3,-0.4 1,-0.2 4,-0.3 0.951 107.4 53.5 -60.9 -40.0 -45.2 12.5 -109.4 280 274 A E H >< S+ 0 0 12 -4,-2.3 3,-1.3 -5,-0.3 4,-0.3 0.870 108.0 47.4 -57.6 -45.5 -46.5 9.2 -107.9 281 275 A K H >< S+ 0 0 102 -4,-1.6 3,-0.9 1,-0.3 4,-0.3 0.752 104.9 61.8 -65.4 -26.3 -46.6 7.4 -111.2 282 276 A S G >< S+ 0 0 9 -4,-1.6 3,-0.6 -3,-0.4 -1,-0.3 0.574 85.3 78.3 -78.9 -5.2 -43.1 8.7 -111.9 283 277 A A G < S+ 0 0 2 -3,-1.3 194,-0.4 -4,-0.3 -1,-0.2 0.782 85.7 59.1 -73.8 -27.5 -41.9 6.8 -108.8 284 278 A N G < S+ 0 0 94 -3,-0.9 2,-1.9 -4,-0.3 -1,-0.2 0.678 86.2 80.8 -64.4 -31.5 -41.9 3.4 -110.7 285 279 A K S < S+ 0 0 116 -3,-0.6 -1,-0.2 -4,-0.3 2,-0.1 -0.492 72.7 167.6 -91.0 68.1 -39.4 4.7 -113.2 286 280 A W + 0 0 10 -2,-1.9 8,-2.3 -3,-0.0 2,-0.3 -0.328 13.5 167.3 -90.7 157.5 -36.4 4.2 -111.0 287 281 A S B -J 293 0D 49 190,-0.3 6,-0.2 6,-0.2 359,-0.2 -0.970 23.6-136.1-158.6 160.0 -32.7 4.3 -111.7 288 282 A T > - 0 0 16 4,-1.7 3,-2.4 -2,-0.3 356,-0.1 -0.951 30.3-116.7-114.0 146.4 -29.3 4.4 -110.1 289 283 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 355,-0.0 0.779 116.8 61.3 -42.8 -32.3 -26.3 6.6 -111.0 290 284 A S T 3 S- 0 0 111 1,-0.0 164,-0.0 2,-0.0 -3,-0.0 0.753 124.2-101.0 -78.2 -18.4 -24.5 3.3 -111.8 291 285 A G S < S+ 0 0 56 -3,-2.4 2,-0.1 1,-0.4 -1,-0.0 0.485 71.0 139.6 119.1 0.6 -27.1 2.5 -114.5 292 286 A A - 0 0 14 3,-0.0 -4,-1.7 4,-0.0 -1,-0.4 -0.446 33.5-176.0 -58.5 148.3 -29.6 -0.0 -113.2 293 287 A S B >> -J 287 0D 17 -6,-0.2 3,-1.9 -2,-0.1 4,-1.8 -0.987 44.4-120.2-155.5 140.7 -33.0 1.1 -114.6 294 288 A W T 34 S+ 0 0 117 -8,-2.3 -7,-0.1 -2,-0.3 -9,-0.0 0.670 111.8 70.9 -52.0 -20.1 -36.6 0.0 -114.3 295 289 A K T 34 S+ 0 0 155 -9,-0.3 -1,-0.3 1,-0.1 -8,-0.1 0.765 112.6 17.7 -67.0 -30.4 -36.2 -0.4 -118.1 296 290 A T T <4 S+ 0 0 111 -3,-1.9 -2,-0.2 162,-0.0 -1,-0.1 0.571 102.3 91.4-125.8 -18.1 -33.9 -3.4 -117.9 297 291 A A < - 0 0 19 -4,-1.8 2,-0.3 161,-0.1 162,-0.1 -0.367 53.2-158.8 -80.0 161.3 -34.2 -5.0 -114.5 298 292 A S - 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0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.445 28.2-150.5 -60.5 142.0 -75.1 13.3 -8.0 923 192 B I S > S+ 0 0 22 1,-0.2 3,-3.6 2,-0.1 4,-0.4 0.809 76.4 89.1 -85.4 -28.4 -71.4 13.1 -8.9 924 193 B E G > S+ 0 0 97 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.747 82.5 53.4 -44.8 -43.4 -71.4 9.3 -9.5 925 194 B P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.610 104.9 58.6 -74.3 -3.1 -72.4 9.4 -13.2 926 195 B R G < S+ 0 0 59 -3,-3.6 2,-1.1 -112,-0.1 -2,-0.2 0.419 77.5 101.6-101.4 -1.3 -69.4 11.8 -13.7 927 196 B R X - 0 0 28 -3,-1.8 3,-1.5 -4,-0.4 4,-0.4 -0.707 56.3-167.4 -85.2 101.5 -66.9 9.3 -12.3 928 197 B I G > S+ 0 0 3 -2,-1.1 3,-1.4 -91,-0.3 -1,-0.2 0.827 79.7 63.2 -60.0 -32.7 -65.4 8.0 -15.6 929 198 B F G 3 S+ 0 0 17 1,-0.3 -1,-0.3 -3,-0.1 46,-0.2 0.696 98.8 54.7 -70.6 -16.1 -63.6 5.0 -14.0 930 199 B N G < S+ 0 0 84 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.547 89.8 91.4 -89.6 -7.0 -66.9 3.4 -12.9 931 200 B K S < S- 0 0 74 -3,-1.4 2,-0.2 -4,-0.4 -59,-0.0 -0.649 81.2-123.7 -82.7 140.1 -68.2 3.5 -16.5 932 201 B P - 0 0 106 0, 0.0 39,-0.1 0, 0.0 -2,-0.1 -0.578 27.0 -98.3 -87.1 155.5 -67.5 0.3 -18.4 933 202 B V - 0 0 22 37,-0.3 -62,-0.2 -2,-0.2 -61,-0.1 -0.561 48.8-108.5 -66.6 119.6 -65.6 0.3 -21.7 934 203 B P - 0 0 66 0, 0.0 -59,-0.4 0, 0.0 -1,-0.1 -0.220 40.2-131.5 -49.5 127.6 -68.2 0.0 -24.4 935 204 B S - 0 0 108 -61,-0.1 3,-0.1 -60,-0.0 36,-0.0 -0.277 19.5-164.9 -86.8 171.2 -68.2 -3.5 -26.0 936 205 B L > - 0 0 70 1,-0.1 3,-1.0 -2,-0.0 4,-0.2 -0.979 27.1-129.3-151.6 143.4 -68.1 -4.6 -29.5 937 206 B P T 3 S+ 0 0 139 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.857 112.5 41.7 -63.1 -36.8 -68.7 -8.0 -31.1 938 207 B N T >> S+ 0 0 83 1,-0.2 3,-1.9 2,-0.1 4,-1.9 0.329 74.3 128.6 -95.5 10.1 -65.5 -7.8 -33.1 939 208 B M H <> S+ 0 0 14 -3,-1.0 4,-1.9 1,-0.3 -1,-0.2 0.741 73.1 52.9 -39.2 -37.4 -63.3 -6.4 -30.2 940 209 B D H 3> S+ 0 0 135 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.919 110.9 46.4 -66.7 -40.4 -60.7 -9.1 -30.7 941 210 B S H <> S+ 0 0 59 -3,-1.9 4,-2.2 2,-0.2 5,-0.3 0.908 106.1 59.6 -68.4 -44.5 -60.4 -8.3 -34.4 942 211 B V H X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.924 110.4 43.2 -47.5 -48.9 -60.2 -4.5 -33.6 943 212 B F H X S+ 0 0 3 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.966 109.3 54.7 -65.4 -49.7 -57.1 -5.2 -31.6 944 213 B A H X S+ 0 0 67 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.832 113.2 44.4 -50.1 -36.5 -55.5 -7.6 -34.0 945 214 B E H X S+ 0 0 132 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.843 109.3 54.3 -81.2 -35.5 -55.7 -5.0 -36.7 946 215 B A H X S+ 0 0 16 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.943 109.2 50.0 -63.4 -47.4 -54.6 -2.1 -34.6 947 216 B I H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.971 113.0 45.4 -51.0 -58.1 -51.5 -4.2 -33.8 948 217 B A H X S+ 0 0 58 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.836 111.4 53.1 -60.3 -33.9 -50.8 -4.9 -37.5 949 218 B K H X S+ 0 0 116 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.900 111.2 45.9 -65.3 -39.5 -51.4 -1.2 -38.4 950 219 B V H X S+ 0 0 7 -4,-2.3 4,-1.6 -3,-0.3 7,-0.2 0.792 111.5 52.6 -75.5 -27.2 -48.9 -0.1 -35.8 951 220 B R H < S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 116.1 39.7 -76.3 -35.6 -46.4 -2.7 -37.0 952 221 B K H < S+ 0 0 180 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.931 119.9 43.1 -77.0 -49.7 -46.8 -1.5 -40.6 953 222 B Q H < S+ 0 0 111 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.856 131.0 21.1 -65.0 -39.3 -46.9 2.3 -39.9 954 223 B Y S >< S- 0 0 78 -4,-1.6 3,-1.9 -5,-0.2 -1,-0.2 -0.565 82.0-164.5-131.6 68.1 -44.1 2.4 -37.3 955 224 B P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.310 73.3 4.8 -65.3 136.9 -42.0 -0.7 -37.8 956 225 B G T 3 S+ 0 0 64 1,-0.2 2,-0.6 -5,-0.1 -5,-0.1 0.528 94.7 126.7 70.3 7.7 -39.6 -1.4 -34.8 957 226 B V <> - 0 0 28 -3,-1.9 4,-0.8 -7,-0.2 -1,-0.2 -0.885 45.4-159.4-104.3 121.0 -41.0 1.4 -32.6 958 227 B L H > S+ 0 0 59 -2,-0.6 4,-2.3 1,-0.2 5,-0.3 0.867 75.8 64.2 -66.4 -45.3 -42.1 0.3 -29.1 959 228 B A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 98.9 50.1 -57.2 -48.5 -44.5 2.9 -27.9 960 229 B P H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.907 115.0 43.8 -59.7 -40.7 -47.3 2.6 -30.5 961 230 B E H X S+ 0 0 53 -4,-0.8 4,-1.8 -3,-0.3 -2,-0.2 0.920 114.2 50.3 -68.5 -41.7 -47.6 -1.2 -30.1 962 231 B T H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.851 104.1 58.6 -62.5 -38.5 -47.4 -0.9 -26.3 963 232 B C H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.945 105.6 50.9 -58.7 -41.2 -50.1 1.8 -26.3 964 233 B V H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.907 109.9 48.6 -62.3 -41.0 -52.3 -0.8 -28.0 965 234 B R H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.939 109.6 53.2 -66.1 -43.0 -51.6 -3.4 -25.3 966 235 B S H X S+ 0 0 0 -4,-3.0 4,-0.6 2,-0.2 3,-0.4 0.947 110.4 45.0 -57.8 -50.6 -52.3 -0.9 -22.6 967 236 B I H >X S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 4,-0.8 0.925 107.2 60.7 -60.6 -38.5 -55.8 -0.0 -24.0 968 237 B Q H >X S+ 0 0 27 -4,-2.3 4,-2.6 1,-0.3 3,-1.5 0.914 95.0 63.5 -53.0 -41.4 -56.4 -3.7 -24.5 969 238 B A H 3X S+ 0 0 5 -4,-1.8 4,-1.8 -3,-0.4 -1,-0.3 0.779 96.1 58.4 -52.4 -27.8 -55.9 -4.1 -20.7 970 239 B S H << S+ 0 0 5 -3,-1.9 -37,-0.3 -4,-0.6 -1,-0.3 0.744 109.4 42.7 -81.5 -21.6 -59.0 -1.9 -20.2 971 240 B V H << S+ 0 0 55 -3,-1.5 -2,-0.2 -4,-0.8 -1,-0.2 0.855 118.4 45.8 -84.6 -42.0 -61.2 -4.3 -22.1 972 241 B K H < S+ 0 0 137 -4,-2.6 -2,-0.2 2,-0.0 -3,-0.2 0.742 116.4 31.8 -70.9 -26.8 -59.6 -7.3 -20.4 973 242 B H S < S- 0 0 75 -4,-1.8 2,-0.1 -5,-0.2 0, 0.0 -0.864 83.1 -98.9-134.3 156.9 -59.6 -6.3 -16.7 974 243 B P >> - 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