==== 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 14-JUL-11 3SXF . 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) . 22762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 71.0 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 . 46 10.2 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 . 0 0.0 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 . 26 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 42.9 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 0 1 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 0 124 0, 0.0 74,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 107.4 9.2 10.7 83.1 2 46 A I > - 0 0 93 1,-0.1 4,-0.8 72,-0.1 3,-0.5 -0.854 360.0-137.7-103.9 140.1 12.1 13.1 83.2 3 47 A F H >> S+ 0 0 28 -2,-0.4 4,-2.7 1,-0.2 3,-1.0 0.910 103.0 52.0 -62.3 -45.4 14.6 13.3 80.2 4 48 A S H 34 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.720 99.0 65.4 -67.5 -23.8 17.7 13.5 82.4 5 49 A D H 34 S+ 0 0 118 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.843 117.5 25.4 -64.1 -33.3 16.7 10.4 84.4 6 50 A R H << S+ 0 0 101 -3,-1.0 21,-3.3 -4,-0.8 2,-0.4 0.801 121.0 46.7-100.6 -38.4 17.1 8.3 81.2 7 51 A Y E < -A 26 0A 16 -4,-2.7 2,-0.4 19,-0.2 19,-0.2 -0.879 54.6-162.1-118.2 141.1 19.6 10.1 78.9 8 52 A K E -A 25 0A 103 17,-2.2 17,-2.4 -2,-0.4 2,-0.2 -0.959 30.3-115.2-113.4 138.9 23.0 11.7 79.5 9 53 A G E +A 24 0A 54 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.506 33.2 174.5 -67.4 138.2 24.4 14.2 76.9 10 54 A Q E - 0 0 79 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.752 60.5 -26.3-108.8 -57.6 27.6 12.9 75.2 11 55 A R E -A 23 0A 149 12,-1.2 12,-2.9 0, 0.0 -1,-0.4 -0.983 66.2 -94.4-159.3 154.6 28.4 15.6 72.6 12 56 A V E -A 22 0A 78 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.526 24.8-171.9 -74.0 136.4 26.7 18.3 70.5 13 57 A L E - 0 0 68 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.688 55.4 -80.8 -97.0 -27.6 25.7 17.2 67.0 14 58 A G E -A 21 0A 29 7,-1.5 7,-3.3 2,-0.0 2,-0.7 -0.883 39.1 -76.1 153.2 178.8 24.7 20.7 65.8 15 59 A K E +A 20 0A 78 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.873 57.3 165.1-110.7 92.4 22.1 23.4 65.7 16 60 A G E > -A 19 0A 28 3,-1.0 3,-1.0 -2,-0.7 2,-0.1 -0.017 49.1 -39.0 -87.3-162.0 19.5 22.3 63.2 17 61 A S T 3 S+ 0 0 31 1,-0.2 -1,-0.2 143,-0.0 143,-0.0 -0.394 126.0 5.4 -66.5 137.4 16.0 23.6 62.6 18 62 A F T 3 S- 0 0 15 -3,-0.1 21,-0.4 -2,-0.1 2,-0.3 0.293 128.5 -33.9 72.6 -6.1 14.0 24.6 65.8 19 63 A G E < S-A 16 0A 3 -3,-1.0 -3,-1.0 19,-0.2 19,-0.2 -0.927 84.9 -30.9 155.5-173.2 16.9 24.0 68.2 20 64 A E E -AB 15 37A 90 17,-0.6 17,-3.1 -2,-0.3 2,-0.5 -0.389 40.6-147.4 -72.1 145.5 20.1 22.1 69.2 21 65 A V E -AB 14 36A 25 -7,-3.3 -8,-2.8 15,-0.2 -7,-1.5 -0.976 18.0-169.9-114.0 118.3 20.6 18.5 68.5 22 66 A I E -AB 12 35A 38 13,-2.6 13,-2.8 -2,-0.5 2,-0.5 -0.908 23.0-128.7-110.8 130.5 22.6 16.7 71.2 23 67 A L E -AB 11 34A 9 -12,-2.9 -13,-3.1 -2,-0.4 -12,-1.2 -0.683 40.0-178.3 -71.4 125.9 24.0 13.1 70.9 24 68 A C E -AB 9 33A 3 9,-3.0 9,-2.5 -2,-0.5 2,-0.4 -0.865 21.0-141.2-128.9 161.1 22.8 11.3 74.1 25 69 A K E -AB 8 32A 58 -17,-2.4 -17,-2.2 -2,-0.3 2,-0.3 -0.983 25.6-114.4-125.9 134.9 23.3 7.9 75.6 26 70 A D E > -A 7 0A 6 5,-2.7 4,-1.5 -2,-0.4 -19,-0.2 -0.535 26.2-137.5 -62.2 127.7 20.7 5.8 77.4 27 71 A K T 4 S+ 0 0 112 -21,-3.3 -1,-0.1 -2,-0.3 -20,-0.1 0.641 96.4 29.5 -65.7 -18.3 21.9 5.6 81.0 28 72 A I T 4 S+ 0 0 156 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.820 128.2 31.9-107.7 -51.7 21.1 1.9 81.3 29 73 A T T 4 S- 0 0 91 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.568 91.9-128.4 -90.0 -12.3 21.3 0.3 77.8 30 74 A G < + 0 0 26 -4,-1.5 -3,-0.1 1,-0.2 2,-0.0 0.355 51.3 159.1 77.9 -6.0 24.1 2.4 76.4 31 75 A Q - 0 0 121 -6,-0.1 -5,-2.7 1,-0.1 2,-0.2 -0.274 33.9-139.2 -55.7 123.6 22.0 3.1 73.3 32 76 A E E +B 25 0A 84 -7,-0.2 54,-0.4 -3,-0.1 2,-0.3 -0.612 28.7 169.4 -84.2 145.7 23.1 6.3 71.5 33 77 A C E -B 24 0A 2 -9,-2.5 -9,-3.0 -2,-0.2 2,-0.6 -0.978 35.6-119.7-152.6 160.0 20.5 8.7 70.1 34 78 A A E -BC 23 84A 15 50,-2.7 50,-2.9 -2,-0.3 2,-0.6 -0.934 30.1-163.7-107.5 116.7 20.1 12.2 68.6 35 79 A V E -BC 22 83A 0 -13,-2.8 -13,-2.6 -2,-0.6 2,-0.5 -0.904 8.5-152.8-109.3 119.4 17.9 14.4 70.6 36 80 A K E -BC 21 82A 21 46,-2.4 46,-2.8 -2,-0.6 2,-0.6 -0.809 13.3-156.7 -88.0 124.2 16.4 17.6 69.2 37 81 A V E -BC 20 81A 23 -17,-3.1 -17,-0.6 -2,-0.5 2,-0.6 -0.924 6.5-166.9-109.1 116.2 15.8 20.1 72.0 38 82 A I E - C 0 80A 0 42,-2.2 42,-2.0 -2,-0.6 2,-0.6 -0.916 15.6-138.6-107.9 118.6 13.2 22.7 71.3 39 83 A S E > - C 0 79A 11 -2,-0.6 4,-3.1 -21,-0.4 40,-0.2 -0.664 2.3-153.5 -77.2 117.5 13.0 25.7 73.6 40 84 A K T 4 S+ 0 0 50 38,-3.0 -1,-0.2 -2,-0.6 39,-0.1 0.765 97.7 47.1 -59.0 -28.4 9.3 26.6 74.3 41 85 A R T 4 S+ 0 0 200 37,-0.6 -1,-0.2 1,-0.1 38,-0.1 0.920 117.7 38.0 -78.3 -51.3 10.5 30.2 75.0 42 86 A Q T 4 S+ 0 0 125 1,-0.2 2,-0.5 -24,-0.1 -2,-0.2 0.848 120.0 50.2 -70.5 -37.2 12.8 30.6 72.0 43 87 A V S < S- 0 0 7 -4,-3.1 -1,-0.2 -25,-0.1 117,-0.1 -0.926 79.4-143.7-110.4 120.3 10.4 28.7 69.6 44 88 A K - 0 0 149 -2,-0.5 115,-1.7 115,-0.2 2,-0.4 -0.315 17.6-125.4 -70.5 158.9 6.7 29.6 69.5 45 89 A Q B -E 158 0B 54 113,-0.2 113,-0.3 1,-0.1 112,-0.1 -0.908 14.1-163.7-111.3 142.4 4.1 26.8 69.0 46 90 A K + 0 0 82 111,-2.8 111,-0.2 -2,-0.4 112,-0.1 0.904 69.0 39.2 -88.8 -49.9 1.5 26.8 66.2 47 91 A T S S- 0 0 41 110,-0.4 2,-0.1 1,-0.2 110,-0.0 -0.351 93.2 -85.3 -96.5 174.6 -1.1 24.2 67.3 48 92 A D > - 0 0 95 -2,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.360 44.6-108.3 -70.5 163.3 -2.7 23.3 70.7 49 93 A K H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.862 115.6 60.6 -64.7 -38.2 -0.8 20.8 72.8 50 94 A E H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 106.2 46.9 -56.1 -48.8 -3.3 18.0 72.2 51 95 A S H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 112.4 50.2 -59.3 -43.9 -2.6 18.1 68.4 52 96 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.940 111.1 48.5 -60.7 -48.1 1.2 18.2 69.0 53 97 A L H X S+ 0 0 74 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.889 111.7 50.1 -61.0 -40.1 1.1 15.2 71.4 54 98 A R H X S+ 0 0 175 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.929 110.3 48.3 -65.2 -46.1 -1.1 13.2 68.9 55 99 A E H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 111.4 51.8 -60.4 -41.6 1.2 13.8 66.0 56 100 A V H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.902 109.3 48.5 -60.4 -44.4 4.2 12.8 68.1 57 101 A Q H X S+ 0 0 101 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.866 111.1 51.6 -66.3 -36.2 2.6 9.5 69.1 58 102 A L H >X S+ 0 0 59 -4,-2.3 3,-1.5 1,-0.2 4,-0.7 0.946 106.4 53.9 -60.9 -49.0 1.8 8.8 65.5 59 103 A L H >< S+ 0 0 25 -4,-2.6 3,-0.8 1,-0.3 11,-0.5 0.840 102.1 58.4 -57.3 -36.4 5.4 9.5 64.5 60 104 A K H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.751 107.3 48.5 -62.4 -26.6 6.6 6.9 67.0 61 105 A Q H << S+ 0 0 132 -3,-1.5 2,-0.3 -4,-0.7 -1,-0.2 0.523 94.2 91.2 -92.3 -10.8 4.5 4.3 65.3 62 106 A L << - 0 0 18 -3,-0.8 2,-0.4 -4,-0.7 8,-0.3 -0.703 52.2-178.1 -90.1 140.5 5.7 5.1 61.8 63 107 A D + 0 0 98 -2,-0.3 5,-0.1 6,-0.1 6,-0.0 -0.989 13.7 149.7-140.7 126.6 8.7 3.3 60.3 64 108 A H > - 0 0 32 3,-0.4 3,-1.9 -2,-0.4 53,-0.0 -0.945 46.7-126.7-155.7 137.7 10.3 3.8 56.9 65 109 A P T 3 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 52,-0.0 0.616 110.2 47.1 -67.6 -10.8 13.9 3.3 55.9 66 110 A N T 3 S+ 0 0 9 82,-0.1 83,-2.8 47,-0.1 2,-0.4 0.241 100.0 78.1-110.4 10.7 14.2 6.9 54.5 67 111 A I B < S-f 149 0C 15 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.973 91.5-104.7-118.9 133.3 12.5 8.7 57.4 68 112 A M - 0 0 51 81,-2.6 2,-0.5 -2,-0.4 -2,-0.1 -0.347 40.3-119.5 -52.9 129.0 14.4 9.4 60.7 69 113 A K - 0 0 32 -4,-0.1 16,-2.4 -6,-0.0 2,-0.5 -0.633 22.3-152.2 -77.4 122.2 13.2 7.0 63.3 70 114 A L E +D 84 0A 18 -2,-0.5 14,-0.2 -11,-0.5 3,-0.1 -0.862 19.5 172.3 -94.1 127.4 11.5 8.7 66.3 71 115 A Y E - 0 0 82 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.859 55.8 -5.7 -98.6 -48.3 11.8 6.8 69.5 72 116 A E E -D 83 0A 42 11,-1.5 11,-2.8 2,-0.0 2,-0.4 -0.954 47.9-146.2-153.1 163.0 10.6 9.0 72.3 73 117 A F E +D 82 0A 37 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 16.0 180.0-138.6 134.9 9.3 12.4 73.4 74 118 A F E -D 81 0A 17 7,-2.1 7,-2.7 -2,-0.4 2,-0.3 -0.932 4.7-167.5-130.4 161.6 9.8 14.3 76.7 75 119 A E E +D 80 0A 57 -74,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.986 9.6 168.8-149.8 135.6 8.6 17.6 78.0 76 120 A D - 0 0 65 3,-2.0 -74,-0.0 -2,-0.3 -2,-0.0 -0.636 58.4 -73.5-126.0-167.3 9.4 19.9 81.0 77 121 A K S S+ 0 0 210 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.842 129.0 23.6 -59.1 -36.5 8.6 23.5 81.8 78 122 A G S S+ 0 0 24 1,-0.1 -38,-3.0 -38,-0.1 -37,-0.6 0.684 118.7 39.0-102.4 -22.7 11.0 25.0 79.2 79 123 A Y E -C 39 0A 82 -40,-0.2 -3,-2.0 -39,-0.1 2,-0.4 -0.869 50.2-141.7-139.6 157.3 11.6 22.3 76.6 80 124 A F E -CD 38 75A 0 -42,-2.0 -42,-2.2 -2,-0.3 2,-0.5 -0.954 23.4-157.4-108.1 140.1 10.5 19.5 74.3 81 125 A Y E -CD 37 74A 33 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.7 -0.962 4.6-167.1-122.1 111.8 13.0 16.7 73.8 82 126 A L E -CD 36 73A 21 -46,-2.8 -46,-2.4 -2,-0.5 2,-0.8 -0.886 9.3-154.0-103.7 110.9 12.6 14.6 70.6 83 127 A V E +CD 35 72A 0 -11,-2.8 -12,-3.1 -2,-0.7 -11,-1.5 -0.764 25.2 166.9 -94.6 105.6 14.6 11.4 70.8 84 128 A G E -CD 34 70A 0 -50,-2.9 -50,-2.7 -2,-0.8 -14,-0.2 -0.655 42.3 -86.0-113.8 167.1 15.6 10.2 67.3 85 129 A E - 0 0 60 -16,-2.4 2,-0.4 -52,-0.2 -52,-0.2 -0.513 46.1-124.3 -68.5 137.5 17.9 7.6 65.8 86 130 A V - 0 0 30 -54,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.724 22.0-163.0 -88.4 133.9 21.4 9.0 65.2 87 131 A Y - 0 0 29 -2,-0.4 3,-0.3 1,-0.1 52,-0.2 -0.969 7.6-168.1-119.0 136.8 22.9 8.9 61.7 88 132 A T + 0 0 116 51,-1.0 53,-0.2 -2,-0.4 51,-0.2 0.369 65.5 88.1-108.7 2.0 26.6 9.3 61.2 89 133 A G S S- 0 0 2 49,-2.2 50,-0.2 51,-0.2 51,-0.2 0.518 81.3-141.2 -83.1 -6.5 26.9 9.8 57.4 90 134 A G - 0 0 36 48,-0.5 48,-2.4 -3,-0.3 2,-0.2 -0.186 45.3 -23.0 76.1-170.1 26.4 13.6 57.4 91 135 A E B >> -G 137 0C 46 46,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.539 59.5-124.4 -80.1 138.8 24.5 15.7 54.9 92 136 A L H >> S+ 0 0 3 44,-2.8 4,-2.5 41,-0.5 3,-1.2 0.895 108.7 50.3 -47.8 -52.6 24.0 14.3 51.4 93 137 A F H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.816 102.9 59.9 -61.1 -33.3 25.5 17.2 49.6 94 138 A D H <4 S+ 0 0 50 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.738 111.4 42.5 -68.3 -24.2 28.7 17.2 51.7 95 139 A E H XX S+ 0 0 8 -3,-1.2 3,-1.7 -4,-1.0 4,-0.6 0.884 110.2 56.1 -78.3 -49.3 29.2 13.6 50.5 96 140 A I H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.871 100.6 58.2 -54.0 -42.5 28.3 14.4 46.9 97 141 A I T 3< S+ 0 0 27 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.677 102.2 55.3 -64.5 -19.6 30.9 17.2 46.6 98 142 A S T <4 S+ 0 0 76 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.619 87.7 102.3 -85.6 -15.2 33.7 14.7 47.4 99 143 A R << - 0 0 26 -3,-1.4 3,-0.1 -4,-0.6 -3,-0.0 -0.383 59.2-155.4 -73.2 148.4 32.7 12.3 44.6 100 144 A K S S+ 0 0 188 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.799 80.9 36.4 -89.6 -35.5 34.7 12.2 41.3 101 145 A R + 0 0 132 182,-0.0 2,-0.3 177,-0.0 -1,-0.2 -0.928 59.9 172.8-121.6 146.7 31.8 10.9 39.2 102 146 A F + 0 0 5 -2,-0.3 177,-3.7 -3,-0.1 2,-0.2 -0.920 9.3 175.7-153.4 123.9 28.1 11.7 39.3 103 147 A S > - 0 0 3 -2,-0.3 4,-2.1 175,-0.2 5,-0.1 -0.615 48.6 -95.4-121.7 178.0 25.4 10.5 36.7 104 148 A E H > S+ 0 0 13 173,-0.3 4,-2.3 1,-0.2 5,-0.1 0.799 124.2 58.4 -62.3 -31.7 21.6 10.6 36.2 105 149 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 105.8 47.4 -65.0 -40.3 21.5 7.1 37.7 106 150 A D H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 113.7 47.5 -66.8 -46.3 23.1 8.5 41.0 107 151 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.885 111.9 51.1 -59.4 -41.0 20.7 11.4 41.0 108 152 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.867 107.8 51.2 -68.2 -38.9 17.7 9.1 40.4 109 153 A R H X S+ 0 0 80 -4,-2.1 4,-1.3 158,-0.2 -1,-0.2 0.906 112.1 48.1 -62.8 -43.9 18.7 6.7 43.2 110 154 A I H X S+ 0 0 10 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.936 114.5 44.4 -59.5 -51.0 18.9 9.7 45.6 111 155 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.824 106.6 59.9 -70.5 -31.4 15.5 11.1 44.5 112 156 A R H X S+ 0 0 98 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.859 106.9 47.8 -63.1 -35.6 13.8 7.7 44.6 113 157 A Q H X S+ 0 0 31 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.905 112.3 48.3 -69.7 -42.9 14.6 7.4 48.3 114 158 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.950 113.2 47.7 -63.1 -48.1 13.4 10.9 49.0 115 159 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.802 110.3 53.2 -61.7 -33.2 10.2 10.3 47.1 116 160 A S H X S+ 0 0 21 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.939 111.4 44.8 -67.0 -47.8 9.7 7.0 48.9 117 161 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 116.2 46.7 -59.6 -47.7 10.0 8.6 52.4 118 162 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.919 108.3 54.9 -62.0 -47.6 7.7 11.5 51.4 119 163 A T H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.922 109.8 47.7 -52.7 -47.5 5.1 9.2 49.8 120 164 A Y H X S+ 0 0 57 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.911 112.5 47.7 -61.9 -44.7 4.9 7.2 53.1 121 165 A M H <>S+ 0 0 2 -4,-2.1 5,-2.9 1,-0.2 3,-0.5 0.888 110.4 53.0 -64.8 -37.4 4.6 10.4 55.3 122 166 A H H ><5S+ 0 0 30 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.859 101.1 59.7 -66.6 -36.5 1.9 11.8 52.9 123 167 A K H 3<5S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.4 45.0 -56.1 -32.8 -0.1 8.6 53.3 124 168 A N T 3<5S- 0 0 49 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.169 121.3-111.8 -97.8 15.0 -0.1 9.4 57.0 125 169 A K T < 5 + 0 0 187 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.766 69.8 141.8 61.6 31.0 -1.0 13.1 56.3 126 170 A I < - 0 0 3 -5,-2.9 2,-0.4 -8,-0.1 -1,-0.2 -0.915 31.2-166.5-105.4 127.5 2.4 14.4 57.5 127 171 A V - 0 0 24 -2,-0.5 26,-0.9 1,-0.2 29,-0.3 -0.873 14.6-163.0-113.1 141.0 3.8 17.3 55.5 128 172 A H + 0 0 1 -2,-0.4 2,-0.7 24,-0.2 27,-0.4 0.941 12.5 178.6 -84.7 -57.3 7.4 18.5 55.8 129 173 A R S S+ 0 0 28 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.197 72.1 61.0 81.4 -39.2 7.2 22.0 54.2 130 174 A D + 0 0 31 -2,-0.7 2,-0.2 21,-0.1 5,-0.1 -0.162 68.4 156.5-112.8 37.5 10.9 22.8 54.7 131 175 A L + 0 0 2 42,-0.1 20,-0.1 3,-0.1 3,-0.0 -0.471 14.2 139.6 -67.6 129.4 12.5 20.0 52.7 132 176 A K > - 0 0 11 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.949 67.6 -83.8-159.6 171.1 16.0 20.9 51.6 133 177 A P G > S+ 0 0 9 0, 0.0 3,-2.4 0, 0.0 -41,-0.5 0.872 122.6 62.9 -52.5 -43.2 19.5 19.3 51.2 134 178 A E G 3 S+ 0 0 56 1,-0.3 -3,-0.1 -43,-0.1 -42,-0.0 0.769 98.5 58.4 -46.9 -33.3 20.3 19.9 54.9 135 179 A N G < S+ 0 0 3 -3,-1.9 15,-2.3 -5,-0.1 2,-0.7 0.365 87.4 85.3 -85.8 4.3 17.3 17.6 55.8 136 180 A L E < + H 0 149C 0 -3,-2.4 -44,-2.8 13,-0.2 2,-0.3 -0.904 61.3 179.2-109.9 103.2 18.8 14.7 53.9 137 181 A L E -GH 91 148C 35 11,-2.5 11,-2.8 -2,-0.7 2,-0.3 -0.676 19.8-133.6-102.2 156.0 21.2 12.8 56.1 138 182 A L E - H 0 147C 3 -48,-2.4 -49,-2.2 -2,-0.3 -48,-0.5 -0.841 9.6-139.9-109.0 146.4 23.2 9.7 55.3 139 183 A E S S+ 0 0 62 7,-1.8 -51,-1.0 -2,-0.3 2,-0.3 0.854 94.9 7.1 -70.0 -35.5 23.5 6.6 57.5 140 184 A S S S- 0 0 58 6,-0.3 2,-2.0 2,-0.2 -1,-0.3 -0.986 88.4-100.4-142.6 154.1 27.2 6.4 56.5 141 185 A K S S+ 0 0 144 -2,-0.3 2,-0.3 -53,-0.2 -51,-0.1 -0.500 86.0 92.1 -77.2 81.3 29.5 8.8 54.5 142 186 A S S > S- 0 0 36 -2,-2.0 3,-1.5 -53,-0.1 -2,-0.2 -0.960 83.8-113.5-164.2 155.3 29.4 7.0 51.1 143 187 A K T 3 S+ 0 0 88 -2,-0.3 -2,-0.1 1,-0.3 -47,-0.0 0.666 115.2 62.8 -69.0 -16.0 27.4 7.1 47.9 144 188 A D T 3 S+ 0 0 129 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.511 84.8 109.3 -80.6 -6.7 26.1 3.6 48.8 145 189 A A S < S- 0 0 12 -3,-1.5 2,-0.1 -5,-0.2 -4,-0.0 -0.378 71.6-111.4 -84.0 149.9 24.4 4.8 52.0 146 190 A N - 0 0 74 -2,-0.1 -7,-1.8 1,-0.1 2,-0.4 -0.448 29.1-125.3 -73.4 148.2 20.7 5.2 52.7 147 191 A I E - H 0 138C 1 -9,-0.2 2,-0.5 -2,-0.1 -9,-0.2 -0.782 19.4-163.5 -95.8 135.5 19.1 8.6 53.0 148 192 A R E - H 0 137C 33 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.5 -0.988 13.4-140.2-119.4 124.5 17.1 9.6 56.1 149 193 A I E -fH 67 136C 1 -83,-2.8 -81,-2.6 -2,-0.5 2,-0.3 -0.717 20.4-160.4 -83.5 128.7 14.8 12.6 55.9 150 194 A I + 0 0 31 -15,-2.3 -81,-0.0 -2,-0.5 -15,-0.0 -0.796 60.6 33.7-107.4 154.1 14.9 14.7 59.1 151 195 A D >> + 0 0 20 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.413 65.0 157.4 84.0 8.7 12.3 17.2 60.4 152 196 A F T 34 S+ 0 0 15 1,-0.2 -1,-0.3 -3,-0.2 -24,-0.2 -0.383 70.3 16.4 -57.0 132.7 9.0 15.7 59.2 153 197 A G T 3> S+ 0 0 2 -26,-0.9 4,-0.5 -2,-0.0 3,-0.3 0.086 97.7 97.0 96.9 -21.6 6.2 17.0 61.3 154 198 A L H X> S+ 0 0 19 -3,-1.4 4,-2.4 1,-0.2 3,-1.1 0.873 73.6 60.6 -73.9 -38.5 7.8 20.0 62.9 155 199 A S H 3< S+ 0 0 1 -4,-0.5 -1,-0.2 -27,-0.4 5,-0.1 0.789 99.0 58.9 -59.4 -33.1 6.7 22.8 60.6 156 200 A T H 34 S+ 0 0 52 -3,-0.3 -1,-0.3 -29,-0.3 -2,-0.2 0.784 120.5 25.1 -67.1 -28.1 3.0 22.1 61.4 157 201 A H H << S+ 0 0 2 -3,-1.1 -111,-2.8 -4,-0.5 -110,-0.4 0.599 117.0 56.7-114.7 -16.1 3.5 22.7 65.2 158 202 A F B < -E 45 0B 2 -4,-2.4 2,-0.4 -113,-0.3 -113,-0.2 -0.943 70.0-130.4-127.1 143.3 6.5 25.0 65.5 159 203 A E - 0 0 93 -115,-1.7 -115,-0.2 -2,-0.4 2,-0.1 -0.755 28.5-125.2 -89.3 131.3 7.4 28.5 64.1 160 204 A A - 0 0 57 -2,-0.4 2,-0.1 -5,-0.1 -116,-0.1 -0.479 29.1-107.6 -74.4 146.6 10.8 28.8 62.4 161 205 A S - 0 0 48 -2,-0.1 -1,-0.1 1,-0.1 -118,-0.1 -0.463 11.8-143.2 -74.5 146.8 13.1 31.5 63.7 162 206 A K + 0 0 180 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.355 61.4 125.9 -90.4 3.1 13.6 34.6 61.5 163 207 A K >> - 0 0 46 1,-0.1 4,-2.2 2,-0.1 3,-1.7 -0.495 64.7-135.4 -61.0 126.8 17.3 34.7 62.6 164 208 A M H 3> S+ 0 0 30 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.808 102.4 63.2 -63.6 -33.0 19.2 34.7 59.3 165 209 A K H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 136,-0.1 0.790 113.6 37.4 -57.6 -28.0 21.7 32.1 60.6 166 210 A D H <4 S+ 0 0 48 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.840 119.8 44.4 -90.5 -41.5 18.7 29.8 60.8 167 211 A K H >< S+ 0 0 58 -4,-2.2 3,-1.2 2,-0.1 4,-0.4 0.321 83.3 124.3 -90.2 9.4 16.8 30.9 57.7 168 212 A I T 3< S+ 0 0 11 -4,-1.1 248,-0.1 1,-0.2 247,-0.1 -0.472 79.1 10.6 -66.2 136.6 19.9 31.0 55.4 169 213 A G T 3 S+ 0 0 16 246,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.420 97.2 107.4 78.3 0.7 19.6 28.8 52.3 170 214 A T X> + 0 0 43 -3,-1.2 3,-1.2 1,-0.2 4,-0.8 0.809 59.7 72.3 -81.7 -29.4 15.9 28.2 52.8 171 215 A A T 34 S+ 0 0 5 -4,-0.4 -1,-0.2 1,-0.3 3,-0.2 0.733 86.6 64.6 -61.0 -28.7 14.5 30.3 49.9 172 216 A Y T 34 S+ 0 0 8 -3,-0.3 34,-0.3 1,-0.2 -1,-0.3 0.818 110.0 34.4 -64.3 -31.8 15.7 28.0 47.1 173 217 A Y T <4 S+ 0 0 10 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 0.553 85.2 111.1-108.2 -11.8 13.4 25.1 48.0 174 218 A I < - 0 0 31 -4,-0.8 -44,-0.1 -3,-0.2 14,-0.1 -0.452 67.8-118.5 -76.5 134.3 10.2 26.6 49.4 175 219 A A >> - 0 0 0 -46,-0.3 4,-1.3 -2,-0.2 3,-0.8 -0.389 18.4-122.7 -69.4 146.5 7.0 26.1 47.3 176 220 A P H 3> S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.835 111.6 57.3 -57.7 -36.3 5.3 29.3 46.0 177 221 A E H 3>>S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 5,-0.6 0.784 100.5 58.0 -68.8 -26.6 2.0 28.3 47.7 178 222 A V H <45S+ 0 0 19 -3,-0.8 3,-0.4 1,-0.2 -1,-0.2 0.908 103.0 53.9 -66.9 -40.2 3.8 28.2 51.1 179 223 A L H <5S+ 0 0 63 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 112.0 44.3 -58.4 -37.3 4.9 31.8 50.6 180 224 A H H <5S- 0 0 111 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.594 115.9-113.0 -91.0 -14.3 1.2 32.8 50.0 181 225 A G T <5S+ 0 0 51 -4,-1.1 2,-0.7 -3,-0.4 -3,-0.1 0.078 84.8 96.8 114.3 -24.1 -0.2 30.7 52.9 182 226 A T < + 0 0 127 -5,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.875 50.6 142.9-103.4 107.1 -2.3 28.0 51.4 183 227 A Y + 0 0 82 -2,-0.7 2,-0.2 -5,-0.1 -5,-0.0 -0.956 22.8 176.5-143.1 162.5 -0.4 24.7 51.1 184 228 A D > - 0 0 69 -2,-0.3 3,-2.0 -55,-0.0 4,-0.3 -0.687 61.1 -56.0-143.3-166.8 -0.7 20.9 51.4 185 229 A E T >> S+ 0 0 78 1,-0.3 3,-1.6 -2,-0.2 4,-0.6 0.716 118.8 76.9 -55.6 -23.3 1.5 17.9 50.9 186 230 A K H >> S+ 0 0 28 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.756 78.1 73.3 -61.5 -23.5 2.3 18.9 47.3 187 231 A C H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.822 91.7 57.0 -59.7 -29.6 4.7 21.5 48.6 188 232 A D H <> S+ 0 0 0 -3,-1.6 4,-1.8 -4,-0.3 -1,-0.2 0.790 102.4 54.2 -71.4 -29.4 7.1 18.6 49.4 189 233 A V H S- 0 0 53 205,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.897 87.7 -79.7-153.7 177.1 19.8 37.5 48.2 211 255 A E H > S+ 0 0 65 203,-0.6 4,-2.7 -2,-0.3 5,-0.2 0.914 123.8 47.2 -52.3 -52.9 16.7 36.1 50.0 212 256 A Y H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 110.8 51.8 -63.6 -37.6 14.2 38.5 48.4 213 257 A D H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 112.8 45.9 -64.4 -38.4 15.5 38.1 44.9 214 258 A I H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.946 113.1 48.6 -69.0 -49.7 15.3 34.3 45.2 215 259 A L H X S+ 0 0 35 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.840 107.1 57.1 -58.2 -37.3 11.7 34.4 46.7 216 260 A K H X S+ 0 0 58 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.883 109.0 45.9 -62.5 -38.1 10.7 36.8 43.9 217 261 A K H X>S+ 0 0 109 -4,-1.3 4,-2.0 -3,-0.3 5,-0.6 0.903 111.7 51.2 -71.1 -41.0 11.7 34.2 41.3 218 262 A V H <5S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.916 109.3 51.2 -60.2 -45.0 10.0 31.3 43.2 219 263 A E H <5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.8 46.4 -61.9 -43.1 6.8 33.4 43.4 220 264 A K H <5S- 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.809 98.8-153.0 -67.7 -30.8 6.8 34.0 39.6 221 265 A G T <5 + 0 0 13 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.571 41.7 139.1 75.1 11.0 7.6 30.3 39.3 222 266 A K < + 0 0 93 -5,-0.6 2,-0.3 25,-0.0 -1,-0.2 -0.753 16.9 151.9 -95.2 135.5 9.4 30.6 36.0 223 267 A Y - 0 0 46 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.939 20.8-155.2-152.8 165.3 12.6 28.6 35.4 224 268 A T - 0 0 70 -2,-0.3 3,-0.2 -19,-0.3 -2,-0.0 -0.896 29.0-129.9-141.4 166.9 14.4 27.1 32.3 225 269 A F + 0 0 36 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.225 66.6 126.7-105.7 39.1 16.8 24.4 31.2 226 270 A E + 0 0 159 3,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.739 37.4 103.5 -70.8 -25.5 18.9 27.1 29.3 227 271 A L S > S- 0 0 54 -3,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.270 80.1-120.5 -66.0 145.7 22.2 26.2 30.9 228 272 A P G > S+ 0 0 100 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.851 107.8 64.1 -56.5 -39.7 24.7 24.2 28.8 229 273 A Q G > S+ 0 0 14 1,-0.3 3,-0.5 2,-0.2 53,-0.1 0.618 86.5 73.0 -63.2 -14.2 24.9 21.2 31.2 230 274 A W G X S+ 0 0 1 -3,-1.8 3,-1.0 1,-0.2 -1,-0.3 0.674 83.5 69.6 -71.2 -16.8 21.2 20.5 30.6 231 275 A K G < S+ 0 0 179 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.848 94.1 55.2 -66.6 -33.9 22.2 19.2 27.1 232 276 A K G < S+ 0 0 92 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.2 0.486 96.4 90.2 -73.8 -3.2 23.8 16.2 28.8 233 277 A V S < S- 0 0 9 -3,-1.0 -3,-0.0 -4,-0.1 5,-0.0 -0.796 81.5-111.8-105.3 138.7 20.5 15.4 30.6 234 278 A S > - 0 0 23 -2,-0.4 4,-1.5 1,-0.1 3,-0.1 -0.210 19.0-125.1 -62.6 151.5 17.7 13.2 29.3 235 279 A E H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.799 111.1 61.5 -65.4 -30.8 14.4 14.6 28.3 236 280 A S H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.892 101.5 50.1 -63.1 -44.2 12.8 12.2 30.8 237 281 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.944 112.4 48.4 -57.4 -46.6 14.6 13.7 33.7 238 282 A K H X S+ 0 0 24 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.822 107.2 55.8 -65.2 -35.2 13.4 17.2 32.5 239 283 A D H X S+ 0 0 54 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.911 107.2 48.4 -64.7 -45.4 9.8 16.0 32.1 240 284 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.932 110.0 53.1 -58.4 -46.1 9.6 14.8 35.8 241 285 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.894 106.8 52.1 -56.9 -43.0 11.0 18.1 36.9 242 286 A R H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 112.0 46.0 -62.5 -38.5 8.3 20.0 35.0 243 287 A K H >< S+ 0 0 81 -4,-1.8 10,-1.5 1,-0.2 3,-0.8 0.878 115.7 45.7 -70.5 -37.3 5.6 17.9 36.7 244 288 A M H 3< S+ 0 0 0 -4,-2.6 -51,-0.2 1,-0.2 -2,-0.2 0.812 115.5 46.8 -76.3 -31.4 7.2 18.4 40.1 245 289 A L T 3< S+ 0 0 6 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.043 78.6 137.8 -99.1 26.0 7.7 22.1 39.5 246 290 A T < - 0 0 43 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.558 51.7-138.9 -70.0 134.3 4.2 22.7 38.2 247 291 A Y S S+ 0 0 89 -2,-0.3 -70,-0.2 -26,-0.1 -1,-0.1 0.933 83.7 63.4 -69.2 -53.2 2.9 25.9 39.8 248 292 A V S >> S- 0 0 78 1,-0.1 3,-1.2 2,-0.0 4,-0.9 -0.650 79.7-142.7 -78.6 121.2 -0.7 25.1 40.7 249 293 A P T 34 S+ 0 0 29 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.790 96.6 57.0 -61.8 -33.0 -0.5 22.4 43.3 250 294 A S T 34 S+ 0 0 100 1,-0.2 4,-0.1 -3,-0.0 -2,-0.0 0.802 111.4 45.1 -65.9 -29.5 -3.6 20.4 42.1 251 295 A M T <4 S+ 0 0 139 -3,-1.2 -1,-0.2 2,-0.1 2,-0.2 0.605 96.0 99.6 -84.5 -15.1 -1.9 20.2 38.7 252 296 A R S < S- 0 0 4 -4,-0.9 -8,-0.2 -3,-0.3 -9,-0.1 -0.501 83.8-105.3 -75.8 142.2 1.4 19.2 40.3 253 297 A I - 0 0 28 -10,-1.5 2,-0.1 -2,-0.2 -1,-0.1 -0.274 34.2-117.1 -65.4 149.0 2.3 15.5 40.3 254 298 A S > - 0 0 33 1,-0.1 4,-2.4 -4,-0.1 5,-0.1 -0.428 19.8-115.3 -80.2 161.2 2.0 13.6 43.6 255 299 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -136,-0.2 0.895 118.7 52.0 -59.5 -40.7 5.0 12.0 45.4 256 300 A R H > S+ 0 0 116 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.929 112.0 43.4 -63.5 -47.9 3.3 8.6 44.7 257 301 A D H >4 S+ 0 0 88 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.856 107.4 61.0 -67.0 -34.5 2.9 9.3 41.0 258 302 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.3 6,-0.3 0.839 98.5 57.9 -61.1 -33.1 6.4 10.7 40.8 259 303 A L H 3< S+ 0 0 23 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.799 104.7 52.2 -63.1 -29.4 7.7 7.2 42.0 260 304 A D T << S+ 0 0 90 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.441 83.6 124.4 -85.7 -2.4 6.0 5.7 38.9 261 305 A H S X> S- 0 0 18 -3,-1.1 4,-2.5 -4,-0.3 3,-0.6 -0.321 71.9-119.9 -66.6 142.6 7.6 8.1 36.5 262 306 A E H 3> S+ 0 0 133 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.838 112.1 54.6 -45.1 -46.4 9.6 6.7 33.5 263 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.901 110.8 43.5 -58.5 -47.4 12.8 8.4 34.7 264 308 A I H <> S+ 0 0 1 -3,-0.6 4,-1.1 -6,-0.3 -2,-0.2 0.930 117.6 46.3 -65.4 -45.6 12.7 6.9 38.2 265 309 A Q H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 119.7 40.2 -62.3 -42.9 11.7 3.5 36.8 266 310 A T H >< S+ 0 0 36 -4,-3.2 3,-0.8 -5,-0.2 -2,-0.2 0.928 118.6 41.0 -74.7 -48.2 14.4 3.5 34.1 267 311 A Y H 3< S+ 0 0 28 -4,-2.7 -158,-0.2 -5,-0.2 -1,-0.2 0.504 106.1 61.2 -89.5 -4.9 17.4 5.1 35.9 268 312 A T T 3< + 0 0 27 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.285 69.7 130.3-103.8 9.3 17.1 3.3 39.3 269 313 A K < - 0 0 103 -3,-0.8 -160,-0.1 1,-0.1 4,-0.0 -0.409 64.3-131.6 -57.3 134.4 17.6 -0.2 37.9 270 314 A E S S+ 0 0 168 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 0.852 99.7 63.8 -61.1 -35.1 20.3 -2.0 39.9 271 315 A Q S S- 0 0 152 1,-0.0 2,-1.1 2,-0.0 3,-0.1 -0.840 89.1-139.3 -89.0 110.1 21.9 -2.9 36.6 272 316 A I + 0 0 79 -2,-0.8 4,-0.1 1,-0.2 -2,-0.1 -0.599 38.7 158.2 -71.3 99.2 23.0 0.3 34.9 273 317 A S + 0 0 90 -2,-1.1 -1,-0.2 2,-0.1 2,-0.1 0.619 48.9 77.0 -97.0 -17.6 22.0 -0.4 31.3 274 318 A V S S- 0 0 52 -8,-0.2 2,-0.1 1,-0.2 -169,-0.0 -0.361 97.9 -73.0 -91.9 168.7 21.8 3.2 30.1 275 319 A D - 0 0 138 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.363 40.6-160.2 -56.6 138.6 24.5 5.7 29.1 276 320 A V + 0 0 65 -173,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.359 16.5 172.3-124.2 51.5 26.3 7.0 32.2 277 321 A P - 0 0 52 0, 0.0 -173,-0.3 0, 0.0 2,-0.2 -0.466 38.2-119.1 -64.1 123.4 27.9 10.3 31.2 278 322 A S - 0 0 31 -2,-0.3 2,-2.1 -175,-0.1 -175,-0.2 -0.476 15.5-130.9 -66.2 130.9 29.3 11.9 34.3 279 323 A L > + 0 0 3 -177,-3.7 4,-2.0 -2,-0.2 5,-0.2 -0.495 41.6 165.4 -84.6 71.3 27.7 15.3 34.9 280 324 A D H > S+ 0 0 88 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.854 70.9 48.9 -63.6 -42.9 31.1 17.0 35.4 281 325 A N H > S+ 0 0 69 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 110.6 53.3 -63.1 -37.5 29.8 20.6 35.1 282 326 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.889 107.6 50.4 -64.2 -41.1 27.0 19.8 37.5 283 327 A I H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 111.6 47.5 -63.7 -44.3 29.5 18.5 40.1 284 328 A L H X S+ 0 0 100 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.921 114.8 46.9 -63.7 -42.9 31.7 21.6 39.8 285 329 A N H X S+ 0 0 31 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.900 111.3 50.2 -64.0 -43.2 28.6 23.8 40.1 286 330 A I H X S+ 0 0 3 -4,-2.8 4,-3.5 2,-0.2 5,-0.2 0.868 109.6 51.9 -66.2 -34.9 27.3 21.9 43.1 287 331 A R H X S+ 0 0 97 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.936 112.2 45.8 -62.8 -47.9 30.7 22.2 44.8 288 332 A Q H X S+ 0 0 132 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 115.4 48.4 -58.6 -42.9 30.6 25.9 44.2 289 333 A F H X S+ 0 0 18 -4,-2.8 4,-2.3 -87,-0.2 -2,-0.2 0.951 115.1 42.0 -65.0 -52.5 27.0 25.9 45.5 290 334 A Q H X S+ 0 0 12 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.948 114.2 52.7 -59.7 -50.0 27.6 23.9 48.6 291 335 A G H X S+ 0 0 11 -4,-2.9 4,-1.9 -5,-0.2 105,-0.2 0.881 110.7 47.7 -51.6 -44.8 30.8 25.8 49.3 292 336 A T H X S+ 0 0 11 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.931 113.5 46.5 -64.4 -47.8 29.0 29.1 49.1 293 337 A Q H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 114.7 46.9 -61.0 -45.0 26.1 28.0 51.3 294 338 A K H X S+ 0 0 43 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.837 112.3 49.8 -68.8 -33.6 28.4 26.6 53.9 295 339 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.939 112.0 46.5 -72.1 -46.1 30.7 29.6 54.0 296 340 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 115.4 48.2 -58.1 -43.8 27.8 32.1 54.4 297 341 A Q H X S+ 0 0 37 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.907 112.9 47.3 -62.3 -44.5 26.4 29.8 57.1 298 342 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.878 109.0 55.6 -65.7 -37.4 29.9 29.6 58.8 299 343 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.942 110.7 43.5 -60.2 -50.5 30.2 33.4 58.5 300 344 A L H X S+ 0 0 22 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.883 113.4 51.5 -62.8 -40.3 27.0 34.0 60.4 301 345 A L H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.897 108.6 52.3 -64.7 -38.6 27.8 31.3 63.0 302 346 A Y H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.900 111.2 45.7 -62.4 -43.5 31.2 32.9 63.6 303 347 A M H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 112.7 51.4 -67.6 -42.1 29.6 36.4 64.2 304 348 A G H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 111.4 47.0 -56.8 -48.5 27.0 34.8 66.5 305 349 A S H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.817 108.8 55.2 -65.4 -33.4 29.6 33.0 68.5 306 350 A K H X S+ 0 0 72 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.913 111.2 44.2 -66.5 -42.7 31.7 36.2 68.8 307 351 A L H X S+ 0 0 82 -4,-2.1 4,-1.8 2,-0.2 3,-0.4 0.936 113.7 50.9 -64.1 -47.7 28.7 38.1 70.2 308 352 A T H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 110.5 48.8 -56.1 -44.6 27.9 35.2 72.6 309 353 A S H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.742 105.3 58.8 -70.8 -24.9 31.5 35.0 73.8 310 354 A Q H X S+ 0 0 43 -4,-1.2 4,-1.4 -3,-0.4 -1,-0.2 0.934 110.3 43.2 -64.8 -47.5 31.5 38.8 74.4 311 355 A D H >X S+ 0 0 99 -4,-1.8 4,-2.6 1,-0.2 3,-0.6 0.968 114.5 47.8 -59.4 -58.0 28.6 38.4 76.8 312 356 A E H 3X S+ 0 0 55 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.768 106.6 58.8 -60.6 -29.1 29.9 35.3 78.6 313 357 A T H 3X S+ 0 0 50 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.906 110.9 41.8 -64.4 -42.5 33.3 37.0 79.0 314 358 A K H - 0 0 57 -2,-0.3 4,-2.2 35,-0.2 5,-0.2 -0.459 40.4 -92.3 -93.8 173.1 42.0 27.8 93.0 333 377 A R H > S+ 0 0 113 33,-0.2 4,-1.9 1,-0.2 5,-0.2 0.888 123.8 53.1 -49.2 -48.6 40.7 24.9 90.8 334 378 A A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.943 110.2 45.7 -54.7 -53.8 37.6 24.4 92.9 335 379 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 109.6 54.8 -62.1 -39.4 36.5 28.0 92.7 336 380 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.863 109.2 48.9 -61.2 -38.1 37.1 28.2 89.0 337 381 A I H X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.921 110.1 50.3 -67.5 -45.7 34.8 25.2 88.5 338 382 A E H X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 112.8 47.0 -57.7 -47.9 32.0 26.6 90.7 339 383 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.850 109.4 53.1 -64.2 -37.3 32.1 29.9 88.7 340 384 A Y H X S+ 0 0 44 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.877 113.4 44.0 -65.0 -39.1 32.2 28.1 85.4 341 385 A K H X S+ 0 0 85 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.842 107.9 59.0 -70.3 -36.7 29.0 26.2 86.5 342 386 A E H X S+ 0 0 82 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.862 108.9 44.8 -61.0 -37.0 27.6 29.4 87.9 343 387 A L H < S+ 0 0 19 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.867 109.8 55.9 -70.5 -39.7 27.8 30.9 84.3 344 388 A M H < S+ 0 0 76 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 107.3 48.5 -61.0 -40.8 26.4 27.6 82.9 345 389 A R H < 0 0 91 -4,-2.5 -1,-0.2 -5,-0.0 -2,-0.2 0.862 360.0 360.0 -65.0 -37.4 23.3 28.0 85.1 346 390 A M < 0 0 133 -4,-1.2 -3,-0.1 -5,-0.2 -2,-0.1 0.805 360.0 360.0 -73.6 360.0 23.0 31.6 83.9 347 ! 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,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.7 32.8 17.4 82.3 349 403 A V H > + 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 360.0 56.4 -61.5 -39.6 33.1 20.9 83.7 350 404 A E H > S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 108.9 46.3 -55.6 -46.6 36.1 19.7 85.8 351 405 A H H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.868 109.6 52.7 -67.8 -40.2 37.9 18.5 82.6 352 406 A E H X S+ 0 0 45 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.916 109.4 49.8 -63.2 -44.4 37.3 21.7 80.6 353 407 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.909 108.3 54.4 -56.8 -43.7 38.7 23.8 83.5 354 408 A D H X S+ 0 0 56 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.811 103.4 54.6 -64.4 -32.8 41.8 21.5 83.5 355 409 A Q H X S+ 0 0 78 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.879 111.9 45.3 -66.1 -37.5 42.4 22.0 79.8 356 410 A V H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 3,-0.5 0.931 111.9 50.8 -68.8 -46.4 42.4 25.8 80.5 357 411 A L H X S+ 0 0 16 -4,-2.8 4,-2.0 1,-0.2 7,-0.2 0.764 100.3 66.0 -63.4 -27.2 44.7 25.3 83.6 358 412 A D H < S+ 0 0 85 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.932 109.3 36.7 -58.2 -47.7 47.1 23.3 81.5 359 413 A A H < S+ 0 0 74 -4,-1.0 3,-0.3 -3,-0.5 -2,-0.2 0.903 123.6 42.9 -71.2 -44.0 47.9 26.3 79.4 360 414 A V H < S+ 0 0 35 -4,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.990 136.3 3.5 -68.8 -64.3 47.8 28.8 82.3 361 415 A D >< + 0 0 41 -4,-2.0 3,-0.5 1,-0.1 -1,-0.2 -0.764 64.1 180.0-129.1 85.9 49.6 26.9 85.0 362 416 A F T 3 S+ 0 0 158 -2,-0.4 -1,-0.1 -3,-0.3 -3,-0.1 0.877 87.2 47.1 -51.4 -45.2 51.0 23.6 83.7 363 417 A D T 3 S- 0 0 110 -5,-0.0 -1,-0.3 1,-0.0 -5,-0.1 0.819 93.1-147.9 -66.8 -32.0 52.5 22.7 87.1 364 418 A K < + 0 0 68 -3,-0.5 -2,-0.1 -7,-0.2 -31,-0.1 0.884 41.7 152.9 61.0 41.7 49.2 23.7 89.0 365 419 A N - 0 0 135 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.666 62.1 -33.0 -77.4 -19.7 51.4 24.8 91.9 366 420 A G S S- 0 0 40 1,-0.1 -33,-0.2 -5,-0.1 2,-0.2 -0.512 95.6 -5.8-161.8-129.6 49.0 27.3 93.3 367 421 A Y - 0 0 151 -2,-0.2 2,-0.5 -35,-0.1 -35,-0.2 -0.499 52.1-129.9 -97.8 160.5 46.3 29.9 92.4 368 422 A I E -I 331 0D 8 -37,-3.3 -37,-2.2 -2,-0.2 2,-0.6 -0.934 18.3-121.1-118.4 125.6 45.2 31.1 89.0 369 423 A E E > -I 330 0D 74 -2,-0.5 4,-1.8 -39,-0.2 3,-0.4 -0.501 26.6-152.3 -55.4 107.1 44.7 34.6 87.8 370 424 A Y H > S+ 0 0 25 -41,-2.2 4,-2.6 -2,-0.6 -1,-0.2 0.798 93.2 58.8 -64.3 -26.4 41.0 34.3 86.9 371 425 A S H > S+ 0 0 66 -42,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.909 105.9 48.6 -63.6 -43.0 41.4 37.0 84.2 372 426 A E H > S+ 0 0 106 -3,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.882 112.7 50.2 -60.3 -39.6 44.0 34.8 82.5 373 427 A F H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.927 104.6 55.2 -64.7 -49.5 41.5 31.9 82.9 374 428 A V H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.919 107.3 51.2 -52.7 -49.7 38.5 33.7 81.4 375 429 A T H X S+ 0 0 84 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.954 115.0 39.5 -51.4 -61.3 40.4 34.6 78.2 376 430 A V H X S+ 0 0 43 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.881 115.9 53.6 -61.3 -39.8 41.6 31.0 77.5 377 431 A A H X S+ 0 0 1 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.955 118.1 34.3 -57.6 -53.4 38.2 29.6 78.6 378 432 A M H X S+ 0 0 10 -4,-3.0 4,-0.9 -5,-0.2 -2,-0.2 0.819 115.3 58.5 -74.0 -33.1 36.2 31.8 76.2 379 433 A D H >< S+ 0 0 88 -4,-3.2 3,-0.8 -5,-0.3 -2,-0.2 0.952 110.0 41.2 -62.2 -51.4 38.9 31.8 73.5 380 434 A R H >< S+ 0 0 81 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.705 106.1 64.6 -73.6 -19.8 38.9 28.0 73.1 381 435 A K H 3< S+ 0 0 92 -4,-0.9 4,-0.2 1,-0.2 -1,-0.2 0.751 104.0 47.8 -71.7 -24.5 35.0 27.8 73.4 382 436 A T T S+ 0 0 65 -3,-0.8 4,-3.3 1,-0.2 5,-0.4 0.946 77.1 55.6 -59.7 -51.7 37.5 27.5 68.5 384 438 A L H > S+ 0 0 116 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.888 111.7 43.6 -49.1 -48.6 34.9 25.3 66.8 385 439 A S H > S+ 0 0 6 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 115.8 47.2 -66.4 -41.7 33.3 28.3 65.0 386 440 A R H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 116.2 44.3 -66.1 -42.9 36.7 29.9 64.0 387 441 A E H X S+ 0 0 85 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.858 113.6 50.5 -69.0 -39.7 38.1 26.5 62.7 388 442 A R H X S+ 0 0 81 -4,-2.3 4,-2.0 -5,-0.4 -2,-0.2 0.843 109.6 51.7 -67.0 -35.8 34.8 25.8 60.9 389 443 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.951 112.0 45.5 -63.3 -49.7 35.0 29.3 59.3 390 444 A E H X S+ 0 0 80 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.926 112.3 50.7 -61.6 -46.6 38.5 28.7 58.1 391 445 A R H X S+ 0 0 127 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.897 111.7 48.6 -55.4 -42.9 37.6 25.2 56.8 392 446 A A H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 111.2 49.8 -67.6 -40.7 34.7 26.7 55.0 393 447 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.950 112.8 47.1 -57.3 -50.9 36.9 29.5 53.5 394 448 A R H < S+ 0 0 108 -4,-2.9 6,-0.3 1,-0.2 -2,-0.2 0.882 113.1 48.2 -61.3 -41.9 39.5 26.9 52.4 395 449 A M H < S+ 0 0 118 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.894 111.4 49.8 -67.2 -41.2 36.8 24.6 50.8 396 450 A F H < S+ 0 0 22 -4,-2.5 2,-2.0 1,-0.2 -2,-0.2 0.856 98.7 70.7 -62.4 -36.2 35.2 27.6 49.0 397 451 A D >< + 0 0 8 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 -0.497 66.6 167.8 -81.6 70.2 38.6 28.6 47.7 398 452 A S T 3 S+ 0 0 106 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.742 71.3 49.4 -65.8 -28.6 38.8 25.5 45.4 399 453 A D T 3 S- 0 0 125 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.365 108.9-122.4 -89.4 5.2 41.8 26.7 43.3 400 454 A N < + 0 0 134 -3,-1.9 -2,-0.1 -6,-0.3 -6,-0.1 0.876 62.9 145.9 55.6 40.4 43.7 27.4 46.6 401 455 A S - 0 0 57 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.741 56.2-133.7 -73.0 -24.9 44.3 31.0 45.6 402 456 A G S S+ 0 0 21 1,-0.2 38,-0.5 -5,-0.2 2,-0.3 0.389 74.6 91.0 81.3 -1.6 44.0 32.1 49.2 403 457 A K - 0 0 78 36,-0.2 2,-0.4 37,-0.1 -1,-0.2 -0.897 61.1-151.6-127.5 152.3 41.7 34.9 48.1 404 458 A I E -J 438 0E 0 34,-2.4 34,-2.3 -2,-0.3 2,-0.1 -0.987 27.7-132.0-117.7 134.6 38.0 35.5 47.7 405 459 A S E > -J 437 0E 40 -2,-0.4 4,-2.9 32,-0.2 32,-0.2 -0.295 21.8-108.1 -82.7 167.6 37.0 38.1 45.0 406 460 A S H > S+ 0 0 42 30,-1.7 4,-2.2 2,-0.2 31,-0.1 0.834 121.5 53.8 -64.0 -36.3 34.5 41.0 45.4 407 461 A T H > S+ 0 0 108 29,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 111.8 45.5 -61.0 -42.9 32.0 39.2 43.1 408 462 A E H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.905 111.0 52.2 -69.1 -42.1 32.3 36.2 45.5 409 463 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.897 107.2 54.2 -57.0 -41.3 32.0 38.4 48.6 410 464 A A H X S+ 0 0 46 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 111.5 44.3 -62.0 -43.0 28.8 39.9 47.0 411 465 A T H X S+ 0 0 65 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.918 115.5 47.3 -63.8 -47.0 27.3 36.4 46.7 412 466 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.919 117.2 41.2 -66.1 -44.3 28.4 35.3 50.2 413 467 A F H <>S+ 0 0 1 -4,-3.0 5,-3.0 2,-0.2 4,-0.5 0.824 112.2 55.3 -74.5 -33.0 27.1 38.4 51.9 414 468 A G H ><5S+ 0 0 15 -4,-1.9 3,-1.3 -5,-0.3 -203,-0.6 0.953 110.2 45.6 -60.8 -50.4 23.9 38.5 49.8 415 469 A V H 3<5S+ 0 0 14 -4,-2.4 -246,-0.3 1,-0.3 -2,-0.2 0.854 115.6 48.7 -56.8 -36.8 23.1 35.0 50.9 416 470 A S T 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.493 112.5-121.8 -81.7 -5.8 24.0 36.1 54.4 417 471 A D T < 5 + 0 0 107 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.2 0.883 58.6 150.2 58.9 42.1 21.8 39.2 54.2 418 472 A V < - 0 0 22 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.934 54.6-106.5 -99.8 127.4 24.7 41.6 54.9 419 473 A D > - 0 0 100 -2,-0.5 4,-2.4 1,-0.1 5,-0.3 -0.224 18.9-130.6 -60.1 136.1 24.0 44.9 53.2 420 474 A S H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 107.9 42.3 -50.7 -54.4 26.1 45.6 50.1 421 475 A E H > S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.804 112.5 57.0 -66.8 -29.8 27.2 49.2 51.2 422 476 A T H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.956 110.3 39.6 -67.7 -52.2 27.8 48.0 54.7 423 477 A W H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.876 114.3 54.0 -70.2 -34.6 30.3 45.2 53.9 424 478 A K H X S+ 0 0 115 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.917 110.1 48.0 -60.1 -44.5 32.0 47.3 51.3 425 479 A S H X S+ 0 0 75 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.905 111.6 50.0 -60.6 -43.7 32.5 50.1 53.9 426 480 A V H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.895 109.5 51.4 -63.1 -41.7 33.8 47.5 56.3 427 481 A L H X S+ 0 0 6 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.929 105.8 55.2 -59.3 -47.0 36.2 46.2 53.7 428 482 A S H < S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 108.7 48.8 -54.7 -39.1 37.5 49.8 53.1 429 483 A E H < S+ 0 0 118 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.868 113.1 45.8 -71.9 -39.0 38.3 50.1 56.8 430 484 A V H < S+ 0 0 29 -4,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.954 134.5 7.5 -67.2 -50.2 40.2 46.8 57.1 431 485 A D >< - 0 0 44 -4,-2.9 3,-1.1 -5,-0.1 -1,-0.3 -0.877 57.2-170.1-140.8 102.3 42.2 47.4 53.9 432 486 A K T 3 S+ 0 0 149 -2,-0.4 2,-0.3 1,-0.3 3,-0.2 0.859 96.4 41.6 -60.8 -34.0 42.1 50.7 52.0 433 487 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 -0.456 72.2 140.5-107.2 57.6 44.0 49.1 49.2 434 488 A N X - 0 0 33 -3,-1.1 3,-0.9 -2,-0.3 -1,-0.2 0.716 48.9-147.0 -75.5 -21.1 42.2 45.8 49.1 435 489 A D T 3 - 0 0 147 1,-0.2 -29,-0.1 -3,-0.2 3,-0.1 0.814 61.5 -61.6 60.8 33.2 42.2 45.6 45.3 436 490 A G T 3 S+ 0 0 31 1,-0.1 -30,-1.7 -31,-0.1 2,-0.3 0.764 118.4 76.1 68.2 28.4 38.8 43.8 45.1 437 491 A E E < -J 405 0E 77 -3,-0.9 2,-0.3 -32,-0.2 -32,-0.2 -0.972 57.4-154.5-162.7 154.7 39.8 40.7 47.0 438 492 A V E -J 404 0E 0 -34,-2.3 -34,-2.4 -2,-0.3 2,-0.1 -0.975 10.2-139.0-134.4 145.6 40.5 39.5 50.5 439 493 A D > - 0 0 56 -2,-0.3 4,-2.5 -36,-0.2 5,-0.2 -0.342 45.8 -90.1 -85.1-179.4 42.5 36.7 52.2 440 494 A F H > S+ 0 0 21 -38,-0.5 4,-3.1 1,-0.2 5,-0.2 0.927 125.9 52.3 -60.4 -46.8 41.1 34.8 55.1 441 495 A D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 111.8 46.1 -57.5 -44.6 42.4 37.1 57.7 442 496 A E H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 111.3 52.1 -67.0 -41.5 40.8 40.1 56.0 443 497 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.957 111.6 47.5 -55.5 -50.9 37.6 38.2 55.6 444 498 A Q H X S+ 0 0 39 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.905 109.5 52.6 -57.4 -45.5 37.6 37.4 59.3 445 499 A Q H X S+ 0 0 70 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.909 108.5 52.1 -56.9 -43.0 38.4 41.1 60.2 446 500 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.938 107.8 50.3 -57.2 -51.2 35.4 42.1 58.1 447 501 A L H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.884 109.2 52.5 -55.3 -39.9 33.1 39.6 60.0 448 502 A L H ><>S+ 0 0 36 -4,-2.2 5,-2.6 1,-0.2 3,-1.2 0.923 110.1 46.5 -65.1 -44.5 34.3 41.1 63.3 449 503 A K H ><5S+ 0 0 61 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.769 105.8 62.0 -66.8 -25.1 33.6 44.6 62.2 450 504 A L T 3<5S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.497 106.6 45.2 -80.0 -5.3 30.1 43.4 61.0 451 505 A C T < 5S- 0 0 16 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 -0.159 130.6 -85.2-127.7 39.5 29.2 42.4 64.5 452 506 A G T < 5 0 0 69 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.621 360.0 360.0 76.2 15.9 30.4 45.5 66.5 453 507 A N < 0 0 80 -5,-2.6 -4,-0.2 -6,-0.2 -3,-0.1 -0.396 360.0 360.0-115.3 360.0 34.1 44.5 66.9