==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JUL-11 3T3U . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.T.LARSON,E.A.MERRITT . 452 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 3 1 0 0 0 4 1 2 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 45 A A 0 0 114 0, 0.0 2,-0.5 0, 0.0 74,-0.3 0.000 360.0 360.0 360.0 108.2 9.1 11.2 83.0 2 46 A I >> - 0 0 97 1,-0.1 3,-1.0 72,-0.1 4,-0.8 -0.957 360.0-150.1-111.2 122.5 12.4 13.2 83.5 3 47 A F H >> S+ 0 0 29 -2,-0.5 4,-2.4 1,-0.3 3,-1.3 0.911 97.8 52.1 -51.8 -48.6 14.7 13.4 80.5 4 48 A S H 34 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.671 98.9 64.9 -69.0 -20.3 17.8 13.6 82.7 5 49 A D H <4 S+ 0 0 118 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.769 117.3 26.6 -67.5 -29.4 16.8 10.5 84.7 6 50 A R H << S+ 0 0 105 -3,-1.3 21,-3.1 -4,-0.8 22,-0.4 0.776 120.2 45.2-103.9 -36.2 17.2 8.4 81.5 7 51 A Y E < -A 26 0A 15 -4,-2.4 2,-0.4 19,-0.2 19,-0.2 -0.882 55.4-157.5-122.3 141.8 19.8 10.1 79.3 8 52 A K E -A 25 0A 105 17,-2.2 17,-2.4 -2,-0.3 2,-0.2 -0.970 28.2-117.0-114.8 134.9 23.2 11.8 79.7 9 53 A G E +A 24 0A 55 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.477 33.8 172.6 -61.0 135.4 24.6 14.4 77.3 10 54 A Q E - 0 0 84 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.715 60.6 -27.4-111.4 -52.3 27.8 13.1 75.6 11 55 A R E -A 23 0A 156 12,-1.4 12,-2.7 0, 0.0 -1,-0.4 -0.963 67.3 -92.9-164.6 152.9 28.6 15.7 73.0 12 56 A V E -A 22 0A 82 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.460 22.9-168.1 -73.3 142.8 26.8 18.4 70.8 13 57 A L E - 0 0 67 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.650 55.8 -83.7-101.1 -22.9 25.7 17.3 67.3 14 58 A G E -A 21 0A 30 7,-1.5 7,-3.3 2,-0.0 2,-0.6 -0.854 41.1 -73.0 150.1 176.4 25.0 20.8 66.2 15 59 A K E +A 20 0A 90 5,-0.3 5,-0.2 -2,-0.3 2,-0.1 -0.974 59.1 163.6-100.1 121.1 22.4 23.5 66.1 16 60 A G - 0 0 31 3,-1.9 3,-0.4 -2,-0.6 2,-0.3 -0.161 48.0 -35.7-109.1-148.9 19.8 22.4 63.7 17 61 A S S S- 0 0 32 1,-0.2 -1,-0.2 -2,-0.1 134,-0.0 -0.564 123.2 -0.5 -79.7 137.8 16.3 23.6 63.2 18 62 A F S S- 0 0 8 -2,-0.3 21,-0.4 -3,-0.1 2,-0.3 0.320 131.3 -16.4 70.0 -6.3 14.2 24.8 66.2 19 63 A G S S- 0 0 4 -3,-0.4 -3,-1.9 19,-0.2 2,-0.2 -0.957 87.0 -51.2 163.4 179.6 17.1 24.0 68.6 20 64 A E E -AB 15 37A 94 17,-0.7 17,-2.7 -2,-0.3 2,-0.5 -0.517 40.2-140.2 -82.7 147.0 20.3 22.3 69.4 21 65 A V E -AB 14 36A 26 -7,-3.3 -8,-3.4 15,-0.2 -7,-1.5 -0.946 19.5-167.7-107.3 124.2 20.9 18.6 68.8 22 66 A I E -AB 12 35A 33 13,-2.4 13,-2.6 -2,-0.5 2,-0.5 -0.948 22.8-128.1-116.3 127.4 22.8 16.7 71.5 23 67 A L E -AB 11 34A 12 -12,-2.7 -13,-2.9 -2,-0.5 -12,-1.4 -0.638 41.4-178.2 -67.1 122.9 24.3 13.3 71.2 24 68 A C E -AB 9 33A 3 9,-3.1 9,-2.7 -2,-0.5 2,-0.4 -0.853 20.2-142.7-125.9 163.9 23.0 11.5 74.3 25 69 A K E -AB 8 32A 57 -17,-2.4 -17,-2.2 -2,-0.3 7,-0.2 -0.992 23.6-116.0-132.2 130.0 23.4 8.1 75.9 26 70 A D E > -A 7 0A 9 5,-2.8 4,-1.5 -2,-0.4 -19,-0.2 -0.480 24.3-140.0 -59.5 126.2 20.9 5.9 77.7 27 71 A K T 4 S+ 0 0 110 -21,-3.1 -1,-0.1 -2,-0.2 -20,-0.1 0.692 96.0 32.8 -66.0 -23.6 22.1 5.6 81.3 28 72 A I T 4 S+ 0 0 158 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.887 128.7 28.3 -96.7 -58.6 21.2 1.9 81.5 29 73 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.498 92.0-128.8 -87.8 -8.1 21.5 0.3 78.1 30 74 A G < + 0 0 25 -4,-1.5 -3,-0.1 1,-0.2 2,-0.1 0.415 50.9 159.8 72.9 -1.3 24.3 2.6 76.8 31 75 A Q - 0 0 122 -6,-0.1 -5,-2.8 1,-0.1 2,-0.2 -0.289 34.3-135.8 -60.0 128.8 22.3 3.2 73.6 32 76 A E E +B 25 0A 83 -7,-0.2 54,-0.4 -3,-0.1 2,-0.3 -0.582 29.9 169.5 -84.8 145.4 23.3 6.4 71.7 33 77 A C E -B 24 0A 4 -9,-2.7 -9,-3.1 -2,-0.2 2,-0.6 -0.986 35.3-120.2-151.6 159.1 20.7 8.8 70.4 34 78 A A E -BC 23 84A 16 50,-2.8 50,-2.9 -2,-0.3 2,-0.6 -0.919 30.4-163.1-102.5 118.9 20.3 12.3 68.9 35 79 A V E -BC 22 83A 0 -13,-2.6 -13,-2.4 -2,-0.6 2,-0.6 -0.901 9.4-152.0-109.8 121.6 18.1 14.5 71.0 36 80 A K E -BC 21 82A 20 46,-2.7 46,-2.9 -2,-0.6 2,-0.6 -0.819 13.7-158.9 -87.5 120.4 16.6 17.7 69.6 37 81 A V E -BC 20 81A 22 -17,-2.7 -17,-0.7 -2,-0.6 2,-0.6 -0.918 8.0-171.8-105.5 115.6 16.0 20.1 72.4 38 82 A I E - C 0 80A 0 42,-2.2 42,-2.6 -2,-0.6 2,-0.7 -0.935 16.8-140.3-111.2 116.3 13.4 22.8 71.7 39 83 A S E > - C 0 79A 18 -2,-0.6 4,-2.2 -21,-0.4 40,-0.3 -0.656 0.9-152.5 -80.6 117.2 13.1 25.7 74.1 40 84 A K T 4 S+ 0 0 53 38,-2.2 -1,-0.2 -2,-0.7 39,-0.1 0.775 96.8 46.4 -57.1 -32.7 9.5 26.6 74.7 41 85 A R T 4 S+ 0 0 96 37,-0.7 -1,-0.2 1,-0.1 38,-0.1 0.950 116.1 40.1 -73.4 -55.5 10.6 30.2 75.6 42 86 A Q T 4 S+ 0 0 130 1,-0.1 2,-0.4 -24,-0.0 -2,-0.2 0.651 122.0 49.3 -71.6 -17.4 13.1 30.8 72.7 43 87 A V S < S- 0 0 6 -4,-2.2 -1,-0.1 118,-0.1 2,-0.1 -0.984 79.9-139.0-128.3 127.8 10.7 29.1 70.3 44 88 A K - 0 0 144 -2,-0.4 115,-1.6 115,-0.1 2,-0.5 -0.361 16.8-129.7 -76.8 158.2 7.0 29.7 69.9 45 89 A Q B -E 158 0B 54 113,-0.2 113,-0.3 1,-0.1 112,-0.1 -0.941 10.0-161.3-113.6 133.9 4.4 27.0 69.5 46 90 A K S S+ 0 0 80 111,-3.2 2,-0.2 -2,-0.5 112,-0.2 0.918 71.0 37.2 -76.5 -47.3 1.9 27.1 66.7 47 91 A T S S- 0 0 42 110,-0.6 2,-0.1 1,-0.1 110,-0.0 -0.491 89.8 -86.9-106.9 170.4 -0.7 24.5 68.0 48 92 A D > - 0 0 88 -2,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.372 43.5-108.7 -71.2 157.8 -2.2 23.4 71.3 49 93 A K H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 114.9 60.0 -61.0 -35.6 -0.4 20.8 73.4 50 94 A E H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 105.9 47.1 -60.1 -44.9 -3.0 18.1 72.6 51 95 A S H > S+ 0 0 34 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.896 113.5 48.8 -64.9 -41.8 -2.4 18.3 68.9 52 96 A L H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 110.2 50.9 -62.7 -46.0 1.4 18.2 69.4 53 97 A L H X S+ 0 0 81 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.884 110.4 49.3 -62.9 -39.2 1.1 15.2 71.7 54 98 A R H X S+ 0 0 172 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.912 111.2 48.6 -66.8 -42.7 -1.0 13.2 69.2 55 99 A E H X S+ 0 0 36 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 110.8 51.3 -64.9 -40.6 1.4 13.9 66.4 56 100 A V H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.925 109.5 49.8 -59.0 -44.8 4.4 12.8 68.5 57 101 A Q H X S+ 0 0 97 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.865 110.6 50.0 -65.4 -38.0 2.7 9.6 69.5 58 102 A L H >X S+ 0 0 59 -4,-2.1 3,-1.7 1,-0.2 4,-0.8 0.960 106.6 55.4 -61.5 -50.5 1.9 8.9 65.8 59 103 A L H >< S+ 0 0 32 -4,-2.6 3,-0.8 1,-0.3 11,-0.4 0.847 101.8 57.9 -53.3 -37.3 5.6 9.5 64.8 60 104 A K H 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.759 106.6 48.7 -64.9 -27.6 6.8 6.9 67.3 61 105 A Q H << S+ 0 0 128 -3,-1.7 -1,-0.2 -4,-0.7 2,-0.2 0.573 94.9 91.9 -89.4 -13.4 4.7 4.2 65.6 62 106 A L << - 0 0 20 -4,-0.8 2,-0.3 -3,-0.8 8,-0.3 -0.575 51.9-177.4 -87.7 149.6 5.9 5.1 62.1 63 107 A D + 0 0 102 -2,-0.2 5,-0.1 6,-0.1 6,-0.0 -0.966 13.3 150.8-149.6 126.1 8.9 3.4 60.5 64 108 A H > - 0 0 31 3,-0.4 3,-1.4 -2,-0.3 53,-0.0 -0.960 45.2-128.0-154.9 141.0 10.6 3.9 57.2 65 109 A P T 3 S+ 0 0 73 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.663 111.0 47.0 -68.7 -14.8 14.2 3.4 56.1 66 110 A N T 3 S+ 0 0 12 82,-0.1 83,-3.4 47,-0.1 2,-0.4 0.348 101.0 77.6-106.1 5.2 14.4 6.9 54.7 67 111 A I B < S-f 149 0C 16 -3,-1.4 -3,-0.4 81,-0.3 83,-0.2 -0.951 89.7-107.6-114.0 131.8 12.8 8.7 57.7 68 112 A M - 0 0 51 81,-2.4 2,-0.5 -2,-0.4 -2,-0.1 -0.323 39.6-118.9 -52.1 130.6 14.6 9.5 61.0 69 113 A K - 0 0 29 -4,-0.1 16,-2.3 -6,-0.0 2,-0.5 -0.655 21.3-151.3 -82.3 123.9 13.3 7.1 63.7 70 114 A L E +D 84 0A 17 -2,-0.5 14,-0.2 -11,-0.4 3,-0.1 -0.851 19.9 171.1 -95.2 128.1 11.7 8.8 66.7 71 115 A Y E - 0 0 87 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.846 55.0 -3.7-102.4 -48.5 12.0 6.9 69.9 72 116 A E E -D 83 0A 43 11,-1.6 11,-2.6 2,-0.0 2,-0.4 -0.960 47.9-144.9-153.1 165.4 10.7 9.1 72.7 73 117 A F E +D 82 0A 34 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 15.7 178.2-141.6 133.9 9.4 12.5 73.8 74 118 A F E -D 81 0A 19 7,-2.3 7,-3.1 -2,-0.4 2,-0.3 -0.956 5.3-167.9-133.8 156.8 9.9 14.5 77.0 75 119 A E E +D 80 0A 68 -74,-0.3 2,-0.2 -2,-0.3 5,-0.2 -0.998 8.8 168.9-142.2 140.6 8.8 17.9 78.3 76 120 A D - 0 0 69 3,-2.3 -74,-0.0 -2,-0.3 -2,-0.0 -0.742 57.1 -77.4-131.5-170.6 9.7 20.1 81.3 77 121 A K S S+ 0 0 209 -2,-0.2 3,-0.0 1,-0.2 -37,-0.0 0.895 129.3 26.6 -56.4 -42.2 8.9 23.7 82.2 78 122 A G S S+ 0 0 27 -38,-0.1 -38,-2.2 1,-0.1 -37,-0.7 0.779 119.6 32.5 -89.1 -30.8 11.4 25.1 79.7 79 123 A Y E -C 39 0A 106 -40,-0.3 -3,-2.3 -39,-0.1 2,-0.4 -0.863 50.1-136.8-140.9 157.5 11.8 22.5 77.0 80 124 A F E -CD 38 75A 0 -42,-2.6 -42,-2.2 -2,-0.3 2,-0.5 -0.930 24.7-157.4-105.6 139.8 10.7 19.7 74.6 81 125 A Y E -CD 37 74A 32 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.7 -0.963 5.5-169.0-120.5 111.6 13.1 16.8 74.2 82 126 A L E -CD 36 73A 25 -46,-2.9 -46,-2.7 -2,-0.5 2,-0.8 -0.893 9.6-154.5-104.0 112.1 12.8 14.8 71.1 83 127 A V E +CD 35 72A 0 -11,-2.6 -12,-3.2 -2,-0.7 -11,-1.6 -0.761 24.9 163.8 -94.3 108.7 14.8 11.5 71.2 84 128 A G E -CD 34 70A 1 -50,-2.9 -50,-2.8 -2,-0.8 -14,-0.2 -0.715 43.0 -84.4-117.7 167.7 15.8 10.2 67.7 85 129 A E - 0 0 59 -16,-2.3 2,-0.4 -2,-0.2 -52,-0.2 -0.510 46.5-123.6 -67.0 135.9 18.1 7.8 66.1 86 130 A V - 0 0 31 -54,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.700 20.7-162.7 -87.6 134.3 21.6 9.2 65.5 87 131 A Y - 0 0 28 -2,-0.4 3,-0.2 1,-0.1 52,-0.2 -0.969 5.6-171.4-117.8 137.3 23.1 9.1 62.0 88 132 A T + 0 0 115 51,-0.8 51,-0.2 -2,-0.4 53,-0.2 0.419 63.7 85.9-113.5 -2.3 26.8 9.6 61.6 89 133 A G S S- 0 0 4 49,-2.0 50,-0.2 1,-0.2 51,-0.2 0.350 83.6-139.1 -87.1 4.2 27.4 10.0 57.8 90 134 A G - 0 0 36 48,-0.3 48,-2.1 -3,-0.2 -1,-0.2 -0.048 45.5 -20.0 67.0-168.1 26.7 13.7 57.8 91 135 A E B >> -G 137 0C 42 46,-0.2 4,-1.1 1,-0.1 3,-0.7 -0.492 58.8-124.6 -79.3 141.6 24.8 15.8 55.2 92 136 A L H >> S+ 0 0 2 44,-2.7 4,-2.1 41,-0.5 3,-0.9 0.885 108.4 50.0 -50.0 -48.7 24.3 14.3 51.7 93 137 A F H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.807 102.8 59.4 -66.8 -31.2 25.8 17.3 49.9 94 138 A D H <4 S+ 0 0 48 -3,-0.7 -1,-0.3 1,-0.2 4,-0.2 0.752 111.1 44.6 -68.8 -24.1 29.0 17.3 52.0 95 139 A E H XX S+ 0 0 9 -4,-1.1 3,-1.2 -3,-0.9 4,-0.5 0.869 109.4 54.9 -77.1 -46.2 29.4 13.7 50.7 96 140 A I H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.896 100.4 58.6 -59.8 -42.9 28.6 14.6 47.1 97 141 A I T 3< S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.667 100.6 57.9 -62.7 -20.5 31.3 17.3 46.8 98 142 A S T <4 S+ 0 0 76 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.625 86.8 104.1 -82.0 -17.1 34.0 14.8 47.7 99 143 A R << - 0 0 24 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.326 59.7-154.5 -70.9 151.1 33.0 12.6 44.7 100 144 A K S S+ 0 0 191 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.726 81.4 27.5 -94.9 -29.5 35.1 12.5 41.6 101 145 A R + 0 0 138 182,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.991 60.9 179.5-136.3 147.4 32.2 11.4 39.3 102 146 A F + 0 0 5 -2,-0.3 177,-3.6 -3,-0.1 2,-0.2 -0.974 9.4 178.9-147.6 127.8 28.4 11.9 39.4 103 147 A S > - 0 0 2 -2,-0.3 4,-2.2 175,-0.2 5,-0.2 -0.638 46.4 -96.1-123.3 179.2 25.8 10.7 36.9 104 148 A E H > S+ 0 0 17 173,-0.3 4,-2.2 1,-0.2 5,-0.1 0.796 123.7 57.7 -65.0 -30.9 22.0 10.7 36.3 105 149 A V H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 106.7 47.5 -66.3 -41.3 21.9 7.3 37.9 106 150 A D H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.946 113.2 47.8 -63.2 -51.2 23.5 8.7 41.1 107 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.877 111.5 52.3 -55.0 -40.9 21.0 11.6 41.2 108 152 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 106.7 50.5 -66.5 -41.8 18.1 9.2 40.6 109 153 A R H X S+ 0 0 88 -4,-2.0 4,-1.5 158,-0.2 -1,-0.2 0.925 111.3 49.9 -62.9 -45.8 19.0 6.9 43.4 110 154 A I H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.916 113.4 44.9 -53.9 -50.2 19.2 9.8 45.8 111 155 A I H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.859 107.4 57.3 -71.1 -36.7 15.8 11.3 44.7 112 156 A R H X S+ 0 0 114 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.846 106.9 50.6 -61.2 -36.4 14.0 7.9 44.8 113 157 A Q H X S+ 0 0 35 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.932 113.4 44.6 -65.6 -45.0 15.1 7.6 48.5 114 158 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.944 114.4 48.2 -66.3 -46.7 13.7 11.0 49.3 115 159 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.829 110.0 54.1 -61.4 -35.6 10.5 10.5 47.3 116 160 A S H X S+ 0 0 34 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.929 110.9 43.7 -65.3 -47.8 10.0 7.2 49.1 117 161 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.913 114.5 50.5 -63.8 -42.1 10.3 8.7 52.5 118 162 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.910 107.5 52.9 -64.3 -44.3 8.1 11.6 51.6 119 163 A T H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 109.0 49.7 -58.4 -45.3 5.4 9.3 50.1 120 164 A Y H X S+ 0 0 57 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.893 112.9 47.1 -59.9 -42.2 5.2 7.3 53.3 121 165 A M H ><>S+ 0 0 3 -4,-1.9 5,-2.4 2,-0.2 3,-0.8 0.916 110.3 51.3 -68.9 -41.9 4.9 10.5 55.4 122 166 A H H ><5S+ 0 0 31 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.869 102.5 60.9 -64.1 -35.2 2.2 12.0 53.2 123 167 A K H 3<5S+ 0 0 147 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.830 108.7 44.6 -55.2 -33.8 0.2 8.7 53.5 124 168 A N T <<5S- 0 0 48 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.225 121.0-111.0 -97.7 9.9 0.2 9.5 57.2 125 169 A K T < 5S+ 0 0 188 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.743 71.2 138.6 65.5 28.8 -0.7 13.2 56.7 126 170 A I < - 0 0 2 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.914 32.8-166.4-105.2 130.0 2.6 14.5 57.8 127 171 A V - 0 0 27 -2,-0.5 26,-1.1 1,-0.1 29,-0.3 -0.839 13.7-162.0-109.5 145.7 4.1 17.4 55.8 128 172 A H + 0 0 2 -2,-0.3 27,-0.5 24,-0.2 2,-0.5 0.912 11.7 179.3 -87.7 -58.9 7.7 18.6 56.1 129 173 A R S S+ 0 0 30 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.140 72.7 61.0 80.9 -33.5 7.6 22.1 54.5 130 174 A D + 0 0 37 -2,-0.5 2,-0.2 21,-0.2 5,-0.1 -0.119 67.7 157.6-117.0 35.1 11.3 22.9 55.0 131 175 A L + 0 0 2 42,-0.1 20,-0.1 3,-0.1 3,-0.0 -0.432 15.2 140.5 -62.6 128.1 12.8 20.1 53.0 132 176 A K > - 0 0 11 -2,-0.2 3,-1.8 1,-0.0 4,-0.1 -0.954 66.4 -88.8-160.5 166.8 16.3 21.0 52.0 133 177 A P G > S+ 0 0 7 0, 0.0 3,-2.4 0, 0.0 -41,-0.5 0.864 120.6 64.1 -55.3 -38.9 19.8 19.3 51.6 134 178 A E G 3 S+ 0 0 58 1,-0.3 -3,-0.1 -43,-0.1 0, 0.0 0.746 99.5 56.9 -51.9 -28.0 20.7 20.1 55.3 135 179 A N G < S+ 0 0 4 -3,-1.8 15,-2.3 -5,-0.1 2,-0.7 0.285 86.6 88.5 -92.1 7.8 17.8 17.8 56.2 136 180 A L E < - H 0 149C 0 -3,-2.4 -44,-2.7 13,-0.2 2,-0.3 -0.899 60.7-176.4-109.4 101.8 19.2 14.8 54.2 137 181 A L E -GH 91 148C 34 11,-2.6 11,-3.2 -2,-0.7 2,-0.4 -0.652 17.5-135.7 -97.5 154.0 21.4 12.8 56.5 138 182 A L E - H 0 147C 4 -48,-2.1 -49,-2.0 -2,-0.3 -48,-0.3 -0.855 9.8-141.1-108.0 142.2 23.5 9.8 55.5 139 183 A E S S+ 0 0 61 7,-2.2 -51,-0.8 -2,-0.4 2,-0.3 0.825 94.6 5.7 -71.7 -29.9 23.7 6.6 57.7 140 184 A S S S- 0 0 58 6,-0.3 2,-2.1 2,-0.2 5,-0.3 -0.986 87.6-100.5-148.4 152.7 27.4 6.5 56.7 141 185 A K S S+ 0 0 141 -2,-0.3 2,-0.3 -53,-0.2 -51,-0.1 -0.462 85.1 102.8 -76.1 82.8 29.7 8.9 54.7 142 186 A S S > S- 0 0 35 -2,-2.1 3,-0.9 -53,-0.1 -2,-0.2 -0.980 80.5-120.8-160.8 149.6 29.6 7.0 51.5 143 187 A K T 3 S+ 0 0 101 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.679 116.0 55.0 -71.4 -16.1 27.8 7.2 48.2 144 188 A D T 3 S+ 0 0 126 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.572 86.3 110.2 -89.2 -13.1 26.3 3.8 49.0 145 189 A A S < S- 0 0 13 -3,-0.9 2,-0.2 -5,-0.3 -4,-0.0 -0.212 72.7-105.7 -67.1 153.0 24.8 4.9 52.3 146 190 A N - 0 0 71 1,-0.1 -7,-2.2 -33,-0.0 2,-0.4 -0.522 29.6-123.7 -75.2 146.9 21.0 5.3 53.0 147 191 A I E - H 0 138C 1 -9,-0.2 2,-0.5 -2,-0.2 -9,-0.2 -0.732 20.5-164.6 -91.2 133.7 19.4 8.7 53.2 148 192 A R E - H 0 137C 33 -11,-3.2 -11,-2.6 -2,-0.4 2,-0.5 -0.985 13.3-140.9-119.5 122.9 17.4 9.6 56.3 149 193 A I E -fH 67 136C 1 -83,-3.4 -81,-2.4 -2,-0.5 2,-0.3 -0.695 20.6-160.8 -81.2 125.3 15.1 12.7 56.2 150 194 A I + 0 0 31 -15,-2.3 -15,-0.0 -2,-0.5 -81,-0.0 -0.737 60.0 30.5-104.3 157.2 15.2 14.7 59.4 151 195 A D > + 0 0 21 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 0.471 66.6 163.9 74.3 12.2 12.7 17.3 60.8 152 196 A F T 3 + 0 0 16 1,-0.2 -1,-0.2 -3,-0.2 -24,-0.2 -0.327 70.0 9.4 -52.5 130.5 9.4 15.9 59.3 153 197 A G T 3> S+ 0 0 3 -26,-1.1 4,-0.5 1,-0.1 3,-0.4 0.281 95.0 107.2 85.4 -9.6 6.4 17.4 61.1 154 198 A L H X> S+ 0 0 18 -3,-1.5 4,-2.1 1,-0.2 3,-1.2 0.894 70.6 60.9 -67.2 -40.4 8.2 20.1 63.1 155 199 A S H 34 S+ 0 0 2 -27,-0.5 -1,-0.2 -4,-0.5 5,-0.1 0.740 95.9 62.9 -62.3 -25.9 7.0 23.1 61.0 156 200 A T H 34 S+ 0 0 54 -3,-0.4 -1,-0.3 -29,-0.3 -2,-0.2 0.815 117.6 24.7 -67.4 -32.2 3.3 22.3 61.9 157 201 A H H << S+ 0 0 3 -3,-1.2 -111,-3.2 -4,-0.5 -110,-0.6 0.624 119.1 56.0-110.6 -19.8 3.8 22.8 65.6 158 202 A F B < S-E 45 0B 3 -4,-2.1 2,-0.3 -113,-0.3 -113,-0.2 -0.922 73.1-125.5-123.7 144.7 6.7 25.2 65.9 159 203 A E - 0 0 93 -115,-1.6 -115,-0.1 -2,-0.4 2,-0.1 -0.667 35.0-114.1 -84.9 137.4 7.6 28.6 64.4 160 204 A A - 0 0 54 -2,-0.3 2,-0.2 -5,-0.1 -116,-0.1 -0.421 31.8-102.0 -71.0 143.9 10.9 28.9 62.5 161 205 A S - 0 0 28 1,-0.1 -1,-0.1 -2,-0.1 -118,-0.1 -0.487 22.0-155.4 -62.5 131.1 13.7 31.0 63.8 162 206 A K + 0 0 185 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 0.440 59.0 116.9 -88.7 -3.6 13.9 34.3 62.0 163 207 A K S >> S- 0 0 134 1,-0.1 4,-2.2 2,-0.0 3,-0.8 -0.472 70.5-133.0 -63.6 134.7 17.7 34.6 62.8 164 208 A M H 3> S+ 0 0 36 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.827 104.2 63.3 -65.3 -32.2 19.7 34.5 59.5 165 209 A K H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.2 136,-0.1 0.862 113.8 36.7 -57.9 -36.9 22.1 32.0 60.9 166 210 A D H <4 S+ 0 0 41 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.826 118.1 52.0 -76.9 -39.5 19.1 29.7 61.1 167 211 A K H >< S+ 0 0 68 -4,-2.2 3,-2.2 2,-0.1 4,-0.4 0.616 77.0 125.7 -73.8 -18.3 17.5 31.0 57.9 168 212 A I T 3< S+ 0 0 17 -4,-2.0 248,-0.1 1,-0.3 247,-0.0 -0.136 81.3 3.9 -53.7 134.8 20.5 30.7 55.5 169 213 A G T > S+ 0 0 15 246,-0.3 3,-0.6 1,-0.1 4,-0.3 0.338 95.7 112.0 80.6 -6.1 19.9 28.7 52.4 170 214 A T G X> + 0 0 43 -3,-2.2 3,-1.2 1,-0.2 4,-0.8 0.830 62.1 69.3 -70.5 -31.3 16.2 28.2 53.1 171 215 A A G 34 S+ 0 0 6 -4,-0.4 3,-0.2 1,-0.2 -1,-0.2 0.752 88.8 62.3 -61.6 -30.7 14.9 30.4 50.2 172 216 A Y G <4 S+ 0 0 7 -3,-0.6 -1,-0.2 1,-0.2 34,-0.2 0.794 110.6 37.0 -65.5 -30.0 16.0 28.1 47.3 173 217 A Y T <4 S+ 0 0 13 -3,-1.2 -1,-0.2 -4,-0.3 21,-0.2 0.575 84.9 111.6-104.9 -13.2 13.7 25.2 48.4 174 218 A I < - 0 0 34 -4,-0.8 -44,-0.1 -3,-0.2 14,-0.1 -0.413 67.5-119.8 -75.1 134.6 10.5 26.8 49.7 175 219 A A >> - 0 0 0 -46,-0.3 4,-1.3 -2,-0.2 3,-0.8 -0.403 18.8-124.0 -69.8 146.5 7.3 26.3 47.6 176 220 A P H 3> S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.852 110.7 56.9 -58.3 -36.0 5.7 29.5 46.3 177 221 A E H 3>>S+ 0 0 17 1,-0.2 4,-0.9 2,-0.2 5,-0.5 0.765 99.6 59.2 -71.5 -24.5 2.4 28.5 48.0 178 222 A V H X45S+ 0 0 18 -3,-0.8 3,-0.6 2,-0.2 -1,-0.2 0.928 103.5 53.0 -65.6 -42.0 4.1 28.3 51.4 179 223 A L H 3<5S+ 0 0 63 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 111.7 44.7 -58.3 -41.1 5.1 32.0 50.9 180 224 A H H 3<5S- 0 0 116 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.584 115.3-117.4 -85.8 -13.0 1.5 33.0 50.3 181 225 A G T <<5S+ 0 0 48 -4,-0.9 2,-0.8 -3,-0.6 -3,-0.1 0.098 82.3 100.6 106.3 -24.7 0.2 30.9 53.2 182 226 A T < + 0 0 126 -5,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.844 51.7 145.4 -96.6 106.7 -2.1 28.2 51.7 183 227 A Y + 0 0 79 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.963 23.8 173.4-143.6 161.4 -0.2 24.9 51.5 184 228 A D > - 0 0 69 -2,-0.3 3,-1.7 -55,-0.0 4,-0.2 -0.635 61.5 -56.0-142.5-163.8 -0.4 21.2 51.7 185 229 A E T >> S+ 0 0 71 1,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.723 117.7 77.4 -62.1 -20.7 1.8 18.1 51.2 186 230 A K H >> S+ 0 0 30 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.777 77.5 74.1 -61.5 -24.3 2.5 19.1 47.6 187 231 A C H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.3 -1,-0.3 0.827 91.7 56.7 -58.3 -30.2 5.0 21.7 48.9 188 232 A D H <> S+ 0 0 0 -3,-1.6 4,-1.6 -4,-0.2 -1,-0.3 0.750 101.9 54.1 -74.6 -28.3 7.4 18.8 49.7 189 233 A V H S- 0 0 53 205,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.879 88.8 -81.3-152.6 178.5 20.1 37.8 48.5 211 255 A E H > S+ 0 0 62 203,-0.6 4,-2.7 -2,-0.3 5,-0.2 0.926 124.3 47.2 -58.0 -51.4 17.0 36.3 50.2 212 256 A Y H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 110.8 53.2 -59.4 -41.7 14.5 38.7 48.8 213 257 A D H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.890 111.8 44.8 -58.0 -45.8 15.9 38.2 45.3 214 258 A I H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 3,-0.5 0.949 112.9 50.2 -64.7 -49.6 15.6 34.5 45.5 215 259 A L H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.822 106.0 57.6 -59.9 -34.1 12.1 34.6 47.0 216 260 A K H X S+ 0 0 57 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.3 0.880 109.0 45.6 -61.9 -41.6 11.0 36.9 44.2 217 261 A K H X>S+ 0 0 105 -4,-1.3 4,-1.9 -3,-0.5 5,-0.5 0.896 111.6 50.9 -69.2 -42.8 12.0 34.3 41.6 218 262 A V H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.0 50.6 -61.3 -45.6 10.4 31.4 43.5 219 263 A E H <5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.3 48.9 -61.4 -40.8 7.1 33.4 43.7 220 264 A K H <5S- 0 0 149 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.843 98.8-150.8 -67.6 -32.6 7.1 34.2 40.0 221 265 A G T <5 + 0 0 14 -4,-1.9 2,-0.4 1,-0.2 -3,-0.1 0.494 43.1 139.3 78.9 4.9 7.8 30.5 39.5 222 266 A K < + 0 0 153 -5,-0.5 2,-0.3 25,-0.0 -1,-0.2 -0.670 17.2 152.4 -88.2 136.0 9.8 30.8 36.3 223 267 A Y - 0 0 48 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.964 20.0-155.3-152.6 162.6 12.9 28.7 35.6 224 268 A T - 0 0 64 -2,-0.3 3,-0.2 -19,-0.3 -2,-0.0 -0.866 29.5-134.2-137.7 168.8 14.8 27.2 32.6 225 269 A F + 0 0 36 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.156 68.0 121.8-107.3 33.5 17.1 24.5 31.4 226 270 A E + 0 0 157 3,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.819 38.9 103.8 -70.1 -33.3 19.2 27.2 29.5 227 271 A L S > S- 0 0 58 -3,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.154 81.1-119.2 -54.7 144.2 22.5 26.5 31.2 228 272 A P G > S+ 0 0 99 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.839 108.0 64.4 -57.7 -38.4 25.0 24.5 29.0 229 273 A Q G > S+ 0 0 16 1,-0.3 3,-0.6 2,-0.2 53,-0.1 0.602 85.9 73.3 -66.9 -12.6 25.2 21.5 31.4 230 274 A W G X S+ 0 0 1 -3,-1.7 3,-1.0 1,-0.2 -1,-0.3 0.645 82.2 71.6 -72.2 -15.5 21.5 20.7 30.8 231 275 A K G < S+ 0 0 174 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.837 93.2 55.6 -63.7 -33.7 22.5 19.5 27.3 232 276 A K G < S+ 0 0 88 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.2 0.466 95.4 89.9 -77.1 -2.2 24.1 16.5 29.1 233 277 A V S < S- 0 0 11 -3,-1.0 -3,-0.0 1,-0.1 -33,-0.0 -0.783 80.1-109.7-106.8 142.9 20.8 15.6 30.8 234 278 A S > - 0 0 23 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.245 18.1-126.6 -66.7 151.1 18.0 13.3 29.6 235 279 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.812 110.6 62.1 -64.5 -32.9 14.6 14.6 28.5 236 280 A S H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.894 103.6 46.5 -60.7 -44.5 13.1 12.2 30.9 237 281 A A H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 3,-0.2 0.945 112.5 50.7 -62.8 -48.1 14.8 13.9 33.9 238 282 A K H X S+ 0 0 24 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.871 107.7 54.5 -56.0 -40.9 13.7 17.3 32.6 239 283 A D H X S+ 0 0 53 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.858 108.1 47.5 -62.3 -42.7 10.1 16.1 32.3 240 284 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 5,-0.2 0.904 109.3 54.4 -65.6 -42.5 9.9 15.0 35.9 241 285 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 106.7 51.9 -59.4 -39.4 11.4 18.2 37.1 242 286 A R H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.6 47.7 -63.2 -43.3 8.7 20.1 35.2 243 287 A K H >< S+ 0 0 78 -4,-1.7 10,-1.5 1,-0.2 3,-0.7 0.859 114.2 46.5 -65.9 -35.2 6.0 18.0 36.9 244 288 A M H 3< S+ 0 0 0 -4,-2.4 -51,-0.2 1,-0.2 -2,-0.2 0.823 114.5 47.1 -77.9 -29.7 7.6 18.6 40.3 245 289 A L T 3< S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.2 0.078 77.9 138.9-101.8 23.7 8.0 22.3 39.8 246 290 A T < - 0 0 45 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.519 52.2-136.6 -68.5 136.2 4.5 22.9 38.5 247 291 A Y S S+ 0 0 87 -2,-0.2 -70,-0.2 4,-0.1 -1,-0.1 0.927 85.0 62.1 -67.3 -52.3 3.2 26.1 40.0 248 292 A V S >> S- 0 0 78 1,-0.1 3,-1.4 2,-0.0 4,-1.1 -0.668 78.4-143.3 -83.0 120.7 -0.4 25.2 41.0 249 293 A P T 34 S+ 0 0 26 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.819 97.3 57.2 -60.3 -34.7 -0.2 22.5 43.6 250 294 A S T 34 S+ 0 0 102 1,-0.3 4,-0.1 -3,-0.0 -3,-0.0 0.800 112.2 43.8 -65.3 -26.8 -3.3 20.6 42.4 251 295 A M T <4 S+ 0 0 141 -3,-1.4 2,-0.3 2,-0.1 -1,-0.3 0.593 96.4 100.6 -89.5 -15.2 -1.6 20.3 39.0 252 296 A R S < S- 0 0 2 -4,-1.1 -8,-0.2 -3,-0.4 -9,-0.1 -0.550 84.0-104.2 -75.2 138.2 1.7 19.4 40.6 253 297 A I - 0 0 27 -10,-1.5 2,-0.1 -2,-0.3 -1,-0.1 -0.190 35.1-117.4 -60.9 145.8 2.6 15.7 40.6 254 298 A S > - 0 0 33 1,-0.1 4,-1.8 -4,-0.1 5,-0.1 -0.410 19.2-115.0 -80.4 161.4 2.3 13.8 43.8 255 299 A A H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -136,-0.2 0.897 117.1 51.5 -61.2 -41.3 5.2 12.1 45.7 256 300 A R H > S+ 0 0 113 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.930 112.4 43.7 -61.1 -49.8 3.6 8.7 45.0 257 301 A D H 4 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.761 106.3 61.9 -69.5 -27.4 3.3 9.3 41.2 258 302 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 6,-0.3 0.857 99.9 55.1 -68.2 -33.7 6.8 10.8 41.1 259 303 A L H 3< S+ 0 0 31 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.837 105.5 53.7 -60.9 -35.5 8.2 7.4 42.2 260 304 A D T 3< S+ 0 0 91 -4,-0.9 -1,-0.2 4,-0.1 -2,-0.2 0.568 84.0 124.4 -75.4 -11.3 6.4 5.8 39.3 261 305 A H S X> S- 0 0 21 -3,-0.9 4,-2.5 -4,-0.4 3,-0.7 -0.213 71.8-121.0 -61.7 142.4 8.0 8.2 36.8 262 306 A E H 3> S+ 0 0 135 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.802 112.0 55.1 -48.9 -41.5 9.9 6.7 33.8 263 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.900 110.2 44.3 -60.5 -45.3 13.1 8.5 34.9 264 308 A I H <> S+ 0 0 0 -3,-0.7 4,-1.5 -6,-0.3 -2,-0.2 0.958 118.1 44.3 -67.8 -48.9 13.0 7.0 38.4 265 309 A Q H < S+ 0 0 100 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.936 118.7 43.1 -57.5 -52.8 12.2 3.5 37.1 266 310 A T H >< S+ 0 0 31 -4,-3.1 3,-0.5 -5,-0.2 7,-0.3 0.890 119.9 38.4 -62.3 -45.8 14.7 3.6 34.3 267 311 A Y H 3< S+ 0 0 29 -4,-2.3 -158,-0.2 -5,-0.2 -1,-0.2 0.555 107.5 59.6 -94.3 -9.6 17.7 5.1 36.2 268 312 A T T 3< S+ 0 0 9 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.1 0.302 70.6 134.3-102.8 8.7 17.5 3.4 39.6 269 313 A K < - 0 0 98 -3,-0.5 -160,-0.1 -4,-0.2 4,-0.0 -0.341 62.8-132.1 -51.2 132.2 17.8 -0.0 38.1 270 314 A E S S+ 0 0 181 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.933 100.9 60.8 -53.9 -47.4 20.3 -2.0 40.2 271 315 A Q S S- 0 0 159 1,-0.0 2,-0.8 2,-0.0 -1,-0.1 -0.764 92.4-134.8 -84.3 112.1 21.9 -2.9 36.9 272 316 A I + 0 0 87 -2,-0.7 4,-0.1 1,-0.2 -5,-0.1 -0.569 39.0 159.5 -71.9 106.0 23.1 0.2 35.1 273 317 A S + 0 0 82 -2,-0.8 -1,-0.2 -7,-0.3 2,-0.1 0.757 49.6 71.0 -97.0 -31.7 21.9 -0.3 31.5 274 318 A V S S- 0 0 52 -8,-0.2 2,-0.1 1,-0.1 -169,-0.1 -0.367 96.2 -76.8 -92.5 163.9 21.9 3.3 30.2 275 319 A D - 0 0 143 -2,-0.1 -171,-0.2 1,-0.1 -1,-0.1 -0.356 39.5-165.0 -59.5 134.2 24.7 5.8 29.4 276 320 A V + 0 0 61 -173,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.506 11.1 176.2-125.8 62.3 26.3 7.3 32.5 277 321 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 -173,-0.3 -0.480 40.6-107.6 -65.8 134.8 28.3 10.3 31.4 278 322 A S - 0 0 35 -2,-0.2 2,-2.4 -175,-0.1 -175,-0.2 -0.496 19.6-134.2 -67.8 122.5 29.8 12.1 34.5 279 323 A L > + 0 0 5 -177,-3.6 4,-1.8 -2,-0.3 -1,-0.1 -0.504 40.5 167.1 -76.5 76.4 28.0 15.4 35.0 280 324 A D H > + 0 0 87 -2,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.862 68.4 48.5 -69.9 -41.1 31.3 17.1 35.5 281 325 A N H > S+ 0 0 64 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 109.2 54.7 -65.5 -41.1 30.2 20.8 35.3 282 326 A A H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.889 107.5 50.5 -57.9 -42.8 27.3 20.0 37.8 283 327 A I H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.925 111.4 47.0 -61.9 -47.8 29.9 18.6 40.3 284 328 A L H X S+ 0 0 106 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 116.8 45.4 -59.9 -43.7 32.1 21.7 40.0 285 329 A N H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 111.4 51.5 -66.2 -42.6 29.0 23.9 40.4 286 330 A I H X S+ 0 0 2 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.917 109.9 49.7 -62.9 -39.8 27.7 21.8 43.3 287 331 A R H X S+ 0 0 95 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 112.0 48.6 -64.3 -40.8 31.0 22.2 45.1 288 332 A Q H X S+ 0 0 130 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.870 113.2 48.2 -64.3 -38.9 30.9 25.9 44.5 289 333 A F H X S+ 0 0 19 -4,-2.3 4,-2.5 -87,-0.2 -2,-0.2 0.958 113.8 44.5 -66.3 -53.0 27.4 26.1 45.8 290 334 A Q H X S+ 0 0 11 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.920 113.2 51.7 -59.4 -45.7 28.0 24.0 48.9 291 335 A G H X S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 105,-0.2 0.899 111.2 47.1 -58.4 -46.3 31.2 26.0 49.7 292 336 A T H X S+ 0 0 12 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.924 114.1 46.8 -60.4 -49.2 29.5 29.3 49.4 293 337 A Q H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.868 114.6 47.8 -60.3 -40.2 26.6 28.2 51.6 294 338 A K H X S+ 0 0 45 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.878 112.2 48.2 -74.4 -37.9 28.9 26.7 54.2 295 339 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.9 50.7 -68.7 -40.3 31.2 29.8 54.3 296 340 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.931 113.9 45.4 -61.1 -44.2 28.2 32.2 54.6 297 341 A Q H X S+ 0 0 38 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.891 112.4 50.0 -65.5 -44.1 26.8 30.0 57.5 298 342 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.886 108.3 55.2 -63.0 -37.4 30.2 29.8 59.2 299 343 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 110.8 43.3 -61.3 -48.2 30.6 33.6 58.9 300 344 A L H X S+ 0 0 23 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.909 114.4 49.8 -65.4 -43.1 27.3 34.2 60.7 301 345 A L H X S+ 0 0 35 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.892 110.0 52.2 -61.9 -39.9 28.1 31.6 63.4 302 346 A Y H X S+ 0 0 12 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.910 111.3 45.6 -63.9 -43.6 31.5 33.1 63.9 303 347 A M H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.896 113.8 50.7 -65.7 -41.0 30.0 36.6 64.4 304 348 A G H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.910 110.4 48.0 -59.7 -45.7 27.4 35.1 66.7 305 349 A S H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.813 107.0 57.8 -69.2 -31.9 30.0 33.2 68.8 306 350 A K H X S+ 0 0 59 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.939 108.8 44.2 -61.8 -48.4 32.1 36.4 69.1 307 351 A L H X S+ 0 0 80 -4,-1.7 4,-1.8 1,-0.2 3,-0.4 0.922 113.0 52.4 -62.8 -43.9 29.2 38.3 70.7 308 352 A T H X S+ 0 0 67 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.880 108.5 50.1 -58.4 -42.7 28.3 35.4 73.0 309 353 A S H X S+ 0 0 13 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.743 106.2 57.0 -69.4 -26.4 31.9 35.2 74.2 310 354 A Q H X S+ 0 0 35 -4,-1.2 4,-1.4 -3,-0.4 -2,-0.2 0.905 109.1 44.8 -69.7 -44.9 31.9 38.9 74.9 311 355 A D H X S+ 0 0 101 -4,-1.8 4,-2.5 1,-0.2 3,-0.2 0.938 115.1 47.7 -59.5 -52.0 28.9 38.6 77.3 312 356 A E H X S+ 0 0 72 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.695 105.9 58.2 -69.8 -23.0 30.4 35.5 79.0 313 357 A T H X S+ 0 0 53 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.888 111.1 43.0 -69.1 -40.9 33.8 37.2 79.4 314 358 A K H X S+ 0 0 133 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.944 116.0 47.3 -68.3 -50.3 32.1 40.0 81.4 315 359 A E H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 111.4 50.4 -57.6 -48.3 29.9 37.7 83.4 316 360 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.879 110.7 49.1 -61.6 -40.8 32.7 35.3 84.3 317 361 A T H X S+ 0 0 55 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.878 111.0 50.8 -65.1 -39.5 34.9 38.2 85.5 318 362 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 110.5 49.1 -61.0 -47.5 32.0 39.5 87.6 319 363 A I H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.938 112.8 45.7 -60.5 -51.4 31.5 36.1 89.2 320 364 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.860 108.8 58.7 -59.6 -39.1 35.2 35.6 90.0 321 365 A H H >< S+ 0 0 124 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.959 105.5 47.6 -54.4 -54.1 35.3 39.2 91.4 322 366 A K H 3< S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.904 113.2 48.8 -52.3 -46.7 32.5 38.4 93.9 323 367 A M H 3< S+ 0 0 31 -4,-1.9 2,-2.4 1,-0.2 3,-0.3 0.736 89.7 89.6 -65.1 -26.1 34.4 35.2 94.9 324 368 A D << + 0 0 18 -4,-1.5 -1,-0.2 -3,-0.7 5,-0.1 -0.422 46.3 156.5 -76.9 69.3 37.6 37.3 95.2 325 369 A K S S+ 0 0 188 -2,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.866 73.6 51.5 -64.4 -37.9 37.0 38.1 98.9 326 370 A N S S- 0 0 126 -3,-0.3 -1,-0.2 4,-0.1 -2,-0.1 0.886 98.4-140.5 -61.1 -44.6 40.8 38.7 99.3 327 371 A G + 0 0 58 -6,-0.1 -2,-0.1 3,-0.1 -3,-0.1 0.608 69.5 117.2 84.1 15.8 40.9 41.1 96.3 328 372 A D S S- 0 0 80 2,-0.2 3,-0.1 41,-0.0 -3,-0.0 0.454 78.6-126.6 -91.3 -2.3 44.3 39.6 95.2 329 373 A G S S+ 0 0 13 1,-0.2 41,-1.7 -8,-0.1 42,-0.5 0.617 72.0 118.1 69.0 14.5 42.8 38.3 92.0 330 374 A Q E +I 369 0D 74 39,-0.2 2,-0.3 40,-0.1 39,-0.2 -0.960 37.7 176.2-118.8 128.3 44.1 34.8 92.6 331 375 A L E -I 368 0D 0 37,-2.7 37,-3.1 -2,-0.5 2,-0.2 -0.841 23.5-120.4-125.8 160.9 41.8 31.8 93.0 332 376 A D > - 0 0 55 -2,-0.3 4,-2.6 35,-0.2 5,-0.2 -0.491 37.3 -96.3 -95.7 172.3 42.3 28.0 93.5 333 377 A R H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.850 123.0 51.8 -53.5 -42.6 41.1 25.1 91.3 334 378 A A H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 111.2 45.8 -58.8 -52.3 38.0 24.6 93.4 335 379 A E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 110.2 53.8 -62.8 -44.0 36.9 28.3 93.2 336 380 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.875 111.2 46.6 -58.2 -41.2 37.6 28.5 89.5 337 381 A I H X S+ 0 0 7 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.918 110.6 51.8 -67.1 -45.7 35.3 25.4 88.9 338 382 A E H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 111.6 47.1 -58.4 -45.0 32.6 26.7 91.1 339 383 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.853 109.2 53.8 -65.8 -36.3 32.5 30.0 89.3 340 384 A Y H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.901 111.0 46.5 -64.6 -41.9 32.5 28.3 85.9 341 385 A K H X S+ 0 0 68 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.878 108.0 56.8 -65.7 -38.8 29.5 26.4 87.0 342 386 A E H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.942 110.6 44.3 -58.3 -46.2 27.9 29.6 88.3 343 387 A L H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 109.6 56.0 -66.5 -38.0 28.3 31.1 84.8 344 388 A M H < S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.917 111.1 43.4 -62.5 -43.2 27.0 27.9 83.2 345 389 A R H < 0 0 162 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.931 360.0 360.0 -65.2 -45.9 23.8 28.1 85.3 346 390 A M < 0 0 130 -4,-2.4 -3,-0.0 -5,-0.2 -31,-0.0 0.120 360.0 360.0 -36.6 360.0 23.6 31.8 84.6 347 ! 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 0.0 348 402 A A > 0 0 119 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.2 32.9 17.7 82.6 349 403 A V H > + 0 0 47 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.925 360.0 54.0 -64.9 -45.7 33.4 21.0 84.3 350 404 A E H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 109.5 48.9 -58.4 -41.6 36.4 19.8 86.3 351 405 A H H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 107.8 51.9 -68.5 -39.9 38.1 18.6 83.1 352 406 A E H X S+ 0 0 42 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.898 110.8 48.2 -67.5 -40.2 37.6 21.9 81.1 353 407 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.893 109.4 55.5 -60.6 -42.1 39.1 24.0 83.9 354 408 A D H X S+ 0 0 35 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.837 103.4 53.2 -64.0 -35.8 42.0 21.6 84.1 355 409 A Q H X S+ 0 0 72 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.906 110.9 48.2 -61.6 -41.8 42.7 22.1 80.4 356 410 A V H >X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 3,-0.5 0.945 109.0 51.3 -65.0 -48.9 42.9 25.8 81.0 357 411 A L H 3X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.785 100.0 66.4 -60.0 -30.6 45.2 25.4 84.1 358 412 A D H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.946 110.0 35.3 -52.8 -52.0 47.5 23.3 82.0 359 413 A A H << S+ 0 0 76 -4,-1.1 3,-0.4 -3,-0.5 -2,-0.2 0.910 124.3 44.0 -69.6 -46.1 48.3 26.3 79.8 360 414 A V H < S+ 0 0 33 -4,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.993 135.4 2.7 -65.1 -69.0 48.1 28.8 82.7 361 415 A D < + 0 0 38 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 -0.760 65.7 178.4-127.8 83.7 50.0 27.1 85.5 362 416 A F S S+ 0 0 148 -2,-0.4 -1,-0.2 -3,-0.4 -3,-0.1 0.882 85.6 46.5 -52.6 -47.2 51.4 23.8 84.2 363 417 A D S S- 0 0 115 1,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.805 94.2-148.0 -67.9 -29.8 53.1 23.0 87.5 364 418 A K + 0 0 101 -3,-0.5 -2,-0.1 -7,-0.2 4,-0.1 0.879 39.5 154.8 61.8 41.1 50.0 23.9 89.5 365 419 A N - 0 0 136 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.771 61.9 -34.9 -70.0 -31.7 52.1 25.1 92.4 366 420 A G S S- 0 0 41 1,-0.2 2,-0.2 -35,-0.1 -5,-0.1 -0.308 94.3 -7.2-150.2-121.6 49.5 27.6 93.8 367 421 A Y - 0 0 150 -35,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.506 54.3-125.5-101.4 162.8 46.8 30.0 92.9 368 422 A I E -I 331 0D 8 -37,-3.1 -37,-2.7 -2,-0.2 2,-0.9 -0.923 16.8-121.0-117.8 133.9 45.7 31.3 89.6 369 423 A E E > -I 330 0D 68 -2,-0.4 4,-1.7 -39,-0.2 3,-0.4 -0.621 27.7-156.1 -63.8 104.4 45.2 34.8 88.2 370 424 A Y H > S+ 0 0 23 -41,-1.7 4,-2.6 -2,-0.9 -1,-0.2 0.780 90.6 61.0 -61.6 -27.5 41.5 34.4 87.4 371 425 A S H > S+ 0 0 62 -42,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.942 104.9 46.9 -58.7 -50.9 41.9 37.2 84.8 372 426 A E H > S+ 0 0 99 -3,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.844 112.8 51.8 -57.8 -38.2 44.4 35.0 82.9 373 427 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.903 103.4 56.1 -66.4 -46.7 42.0 32.1 83.3 374 428 A V H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.944 107.6 49.8 -51.8 -52.4 39.0 33.9 81.9 375 429 A T H X S+ 0 0 84 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.928 115.3 40.4 -50.5 -58.5 40.9 34.7 78.7 376 430 A V H X S+ 0 0 40 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.907 112.6 56.6 -61.6 -44.2 42.1 31.2 78.0 377 431 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.880 109.0 45.5 -54.8 -43.7 38.7 29.7 79.0 378 432 A M H X S+ 0 0 6 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.828 106.8 58.7 -73.7 -33.6 36.8 31.7 76.5 379 433 A D H < S+ 0 0 85 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.819 104.8 50.9 -65.1 -32.9 39.2 31.0 73.7 380 434 A R H < S+ 0 0 97 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.802 108.7 52.0 -74.1 -30.0 38.6 27.3 74.0 381 435 A K H < S+ 0 0 59 -4,-1.0 4,-0.3 1,-0.2 -2,-0.2 0.831 113.6 43.6 -71.5 -34.4 34.9 28.0 73.9 382 436 A T S X S+ 0 0 16 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.397 89.0 92.7 -92.0 0.3 35.2 30.0 70.6 383 437 A L H > S+ 0 0 66 -3,-0.3 4,-2.7 -4,-0.3 5,-0.4 0.953 78.8 56.4 -61.9 -52.8 37.7 27.5 69.0 384 438 A L H > S+ 0 0 107 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.866 111.2 44.3 -47.6 -47.7 35.1 25.4 67.1 385 439 A S H > S+ 0 0 4 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.872 114.3 47.7 -67.6 -41.7 33.7 28.5 65.3 386 440 A R H X S+ 0 0 70 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.858 117.0 42.2 -68.1 -39.6 37.1 30.1 64.4 387 441 A E H X S+ 0 0 91 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.823 114.2 52.3 -75.2 -36.2 38.5 26.8 63.0 388 442 A R H X S+ 0 0 71 -4,-1.9 4,-2.3 -5,-0.4 -2,-0.2 0.874 109.2 50.5 -65.9 -38.5 35.2 26.1 61.3 389 443 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.954 112.4 45.9 -62.1 -51.6 35.4 29.6 59.7 390 444 A E H X S+ 0 0 79 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.922 112.5 51.0 -57.5 -49.0 39.0 28.9 58.5 391 445 A R H X S+ 0 0 136 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 111.3 47.4 -54.1 -46.6 38.0 25.5 57.2 392 446 A A H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -97,-0.2 0.899 112.5 50.1 -65.7 -39.8 35.0 26.9 55.3 393 447 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.947 112.5 47.0 -59.1 -49.5 37.3 29.7 53.9 394 448 A R H < S+ 0 0 107 -4,-3.0 6,-0.2 1,-0.2 -2,-0.2 0.887 113.5 48.1 -61.3 -44.3 39.9 27.1 52.8 395 449 A M H < S+ 0 0 127 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 110.3 50.8 -64.8 -42.0 37.3 24.9 51.2 396 450 A F H < S+ 0 0 23 -4,-2.5 2,-2.0 1,-0.2 -2,-0.2 0.879 98.2 71.2 -60.2 -39.1 35.6 27.8 49.4 397 451 A D >< + 0 0 8 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 -0.479 65.1 167.6 -78.8 70.9 39.1 28.7 48.0 398 452 A S T 3 S+ 0 0 106 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.757 70.8 52.1 -66.8 -27.8 39.3 25.7 45.7 399 453 A D T 3 S- 0 0 117 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.407 107.4-123.2 -86.6 2.4 42.3 26.9 43.7 400 454 A N < + 0 0 137 -3,-1.8 -2,-0.1 -6,-0.2 -6,-0.0 0.847 64.9 143.0 54.9 36.9 44.3 27.5 46.9 401 455 A S - 0 0 61 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.739 58.1-134.0 -72.5 -24.9 44.8 31.2 45.9 402 456 A G S S+ 0 0 23 1,-0.2 38,-0.4 -5,-0.2 2,-0.3 0.525 72.7 90.1 80.0 6.1 44.4 32.2 49.5 403 457 A K - 0 0 77 36,-0.2 2,-0.5 37,-0.1 36,-0.2 -0.958 61.9-147.7-138.4 152.2 42.1 35.0 48.5 404 458 A I E -J 438 0E 0 34,-2.8 34,-2.5 -2,-0.3 -7,-0.0 -0.982 26.9-131.3-117.9 127.0 38.4 35.7 47.9 405 459 A S E > -J 437 0E 39 -2,-0.5 4,-2.5 32,-0.2 32,-0.3 -0.255 22.0-110.3 -73.7 162.7 37.4 38.2 45.3 406 460 A S H > S+ 0 0 42 30,-2.0 4,-1.7 1,-0.2 31,-0.1 0.831 120.3 53.9 -61.3 -36.5 35.0 41.1 45.7 407 461 A T H > S+ 0 0 106 29,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.884 109.6 47.9 -62.2 -43.2 32.6 39.3 43.4 408 462 A E H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.890 109.1 53.5 -67.5 -38.7 32.7 36.3 45.7 409 463 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.881 103.9 56.4 -62.2 -38.2 32.3 38.4 48.7 410 464 A A H X S+ 0 0 50 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.883 111.5 43.6 -64.0 -37.4 29.1 39.9 47.2 411 465 A T H X S+ 0 0 65 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.946 114.9 48.0 -67.4 -52.7 27.7 36.4 46.9 412 466 A I H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.909 117.3 41.1 -58.2 -45.6 28.8 35.3 50.3 413 467 A F H <>S+ 0 0 1 -4,-3.1 5,-3.0 2,-0.2 4,-0.4 0.818 111.5 55.9 -75.9 -32.4 27.4 38.5 52.1 414 468 A G H ><5S+ 0 0 14 -4,-1.5 3,-1.5 -5,-0.3 -203,-0.6 0.961 108.9 46.9 -61.8 -52.4 24.2 38.6 50.0 415 469 A V H 3<5S+ 0 0 15 -4,-2.3 -246,-0.3 1,-0.2 -1,-0.2 0.795 114.6 49.7 -52.5 -34.7 23.4 35.0 51.1 416 470 A S T 3<5S- 0 0 4 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.441 112.4-120.3 -85.7 -3.5 24.3 36.2 54.7 417 471 A D T < 5 + 0 0 106 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.884 60.4 149.7 57.5 43.3 22.1 39.3 54.5 418 472 A V < - 0 0 20 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.944 54.6-112.4-104.5 120.8 24.9 41.6 55.1 419 473 A D > - 0 0 79 -2,-0.6 4,-2.4 1,-0.1 3,-0.3 -0.250 17.4-131.0 -59.3 133.5 24.1 44.8 53.3 420 474 A S H > S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.891 107.4 46.2 -54.9 -48.9 26.4 45.5 50.3 421 475 A E H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.824 111.3 55.0 -63.9 -33.6 27.2 49.1 51.3 422 476 A T H > S+ 0 0 65 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.941 109.9 42.7 -66.3 -49.0 27.9 48.0 54.9 423 477 A W H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 112.6 52.9 -69.9 -37.2 30.5 45.3 54.1 424 478 A K H X S+ 0 0 112 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.878 109.3 50.3 -62.1 -39.8 32.3 47.4 51.4 425 479 A S H X S+ 0 0 64 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.902 110.6 49.1 -64.8 -42.3 32.6 50.2 54.0 426 480 A V H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.883 107.9 55.0 -64.9 -38.5 34.0 47.7 56.6 427 481 A L H X S+ 0 0 5 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.923 105.2 53.2 -58.0 -44.9 36.5 46.4 53.9 428 482 A S H < S+ 0 0 47 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.1 50.1 -61.2 -37.9 37.8 50.0 53.4 429 483 A E H < S+ 0 0 113 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.804 114.5 45.0 -68.8 -33.8 38.4 50.4 57.2 430 484 A V H < S+ 0 0 29 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.932 133.9 8.8 -76.8 -49.2 40.3 47.1 57.3 431 485 A D >< - 0 0 41 -4,-3.3 3,-1.5 -5,-0.1 -1,-0.3 -0.866 57.1-173.4-138.3 103.1 42.4 47.7 54.1 432 486 A K T 3 S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.879 92.3 46.5 -60.0 -35.9 42.4 51.1 52.4 433 487 A N T 3 S+ 0 0 147 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 -0.091 78.9 150.5-102.8 33.4 44.5 49.7 49.6 434 488 A N < - 0 0 48 -3,-1.5 4,-0.1 1,-0.1 -6,-0.0 -0.340 40.8-146.6 -67.5 152.4 42.5 46.5 49.0 435 489 A D - 0 0 106 2,-0.5 -1,-0.1 -2,-0.0 -29,-0.1 -0.089 59.9 -77.7-113.2 25.5 42.7 45.4 45.4 436 490 A G S S+ 0 0 28 1,-0.2 -30,-2.0 -31,-0.1 2,-0.3 0.814 110.4 78.5 74.3 30.2 39.2 43.9 45.3 437 491 A E E -J 405 0E 66 -32,-0.3 -2,-0.5 -31,-0.1 2,-0.3 -0.964 58.9-153.1-159.6 155.8 40.2 40.7 47.2 438 492 A V E -J 404 0E 0 -34,-2.5 -34,-2.8 -2,-0.3 2,-0.1 -0.955 9.1-140.0-130.8 147.9 40.8 39.6 50.7 439 493 A D > - 0 0 60 -2,-0.3 4,-2.4 -36,-0.2 -36,-0.2 -0.385 45.4 -89.2 -88.2-178.0 42.9 36.9 52.5 440 494 A F H > S+ 0 0 21 -38,-0.4 4,-2.8 1,-0.2 5,-0.2 0.914 125.0 50.7 -61.1 -48.5 41.5 35.0 55.4 441 495 A D H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 112.1 47.5 -59.6 -41.2 42.8 37.4 58.1 442 496 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 110.7 51.7 -67.5 -43.8 41.2 40.4 56.4 443 497 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 111.9 47.1 -53.2 -50.8 37.9 38.5 55.9 444 498 A Q H X S+ 0 0 37 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.865 109.5 53.6 -60.3 -41.3 37.9 37.6 59.7 445 499 A Q H X S+ 0 0 74 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 108.4 51.1 -58.6 -43.0 38.7 41.3 60.5 446 500 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.953 108.6 49.9 -58.4 -53.2 35.7 42.3 58.4 447 501 A L H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.885 109.0 53.1 -54.3 -40.7 33.4 39.9 60.2 448 502 A L H ><>S+ 0 0 39 -4,-2.1 5,-2.3 1,-0.2 3,-1.2 0.928 109.8 47.8 -63.1 -42.5 34.7 41.3 63.6 449 503 A K H ><5S+ 0 0 71 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.789 105.3 60.3 -68.4 -26.1 33.8 44.8 62.4 450 504 A L T 3<5S+ 0 0 40 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.491 105.1 49.3 -80.8 -4.5 30.4 43.6 61.3 451 505 A C T < 5S- 0 0 15 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 -0.139 130.3 -84.8-128.2 37.5 29.5 42.5 64.8 452 506 A G T < 5 0 0 74 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.524 360.0 360.0 80.6 9.2 30.5 45.7 66.7 453 507 A N < 0 0 86 -5,-2.3 -4,-0.2 -6,-0.2 -3,-0.1 -0.208 360.0 360.0-110.6 360.0 34.2 44.8 67.1